 vasp.5.3.3 18Dez12 (build May 07 2014 14:23:27) complex                        
  
 executed on             LinuxIFC date 2014.07.22  08:25:00
 running on   16 total cores
 distrk:  each k-point on   16 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,   16 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:    PAW_PBE Au 04Oct2007                  
 POTCAR:    PAW_PBE Li_sv 10Sep2004               

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      For optimal performance we recommend that you set                      |
|        NPAR = 4 - approx SQRT( number of cores)                             |
|      (number of cores/NPAR must be integer)                                 |
|      This setting will greatly improve the performance of VASP for DFT.     |
|      The default NPAR=number of cores might be grossly inefficient          |
|      on modern multi-core architectures or massively parallel machines.     |
|      Do your own testing.                                                   |
|      Unfortunately you need to use the default for hybrid, GW and RPA       |
|      calculations.                                                          |
|                                                                             |
 ----------------------------------------------------------------------------- 

 POTCAR:    PAW_PBE Au 04Oct2007                  
   VRHFIN =Au: s1d10                                                            
   LEXCH  = PE                                                                  
   EATOM  =   926.0867 eV,   68.0654 Ry                                         
                                                                                
   TITEL  = PAW_PBE Au 04Oct2007                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.330    partial core radius                                     
   POMASS =  196.966; ZVAL   =   11.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    2.840; RWIGS  =    1.503    wigner-seitz radius (au A)           
   ENMAX  =  229.943; ENMIN  =  172.457 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  356.670                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.562    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.598    radius for radial grids                                 
   RDEPT  =    2.193    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   16 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -80748.5001   2.0000                                         
     2  0  0.50    -14244.7466   2.0000                                         
     2  1  1.50    -12310.9591   6.0000                                         
     3  0  0.50     -3362.1768   2.0000                                         
     3  1  1.50     -2801.5463   6.0000                                         
     3  2  2.50     -2203.8206  10.0000                                         
     4  0  0.50      -729.8168   2.0000                                         
     4  1  1.50      -546.0527   6.0000                                         
     4  2  2.50      -325.7302  10.0000                                         
     4  3  3.50       -81.1472  14.0000                                         
     5  0  0.50      -108.3201   2.0000                                         
     5  1  1.50       -59.7479   6.0000                                         
     5  2  2.50        -6.8783  10.0000                                         
     6  0  0.50        -5.7602   1.0000                                         
     6  1  1.50        -6.8029   0.0000                                         
     5  3  2.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2     -6.8782861     23  2.500                                             
     2     -8.2388687     23  2.500                                             
     0     -5.7601759     23  2.500                                             
     0     -0.8493231     23  2.500                                             
     1     -2.7211652     23  2.500                                             
     1     27.2116520     23  2.500                                             
     3     -1.3605826     23  2.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:    PAW_PBE Li_sv 10Sep2004               
   VRHFIN =Li: 1s2s2p                                                           
   LEXCH  = PE                                                                  
   EATOM  =   202.7858 eV,   14.9043 Ry                                         
                                                                                
   TITEL  = PAW_PBE Li_sv 10Sep2004                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        0    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    0.000    partial core radius                                     
   POMASS =    7.010; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.700    outmost cutoff radius                                   
   RWIGS  =    2.050; RWIGS  =    1.085    wigner-seitz radius (au A)           
   ENMAX  =  499.034; ENMIN  =  374.276 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  628.945                                                            
   RMAX   =    1.732    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.728    radius for radial grids                                 
   RDEPT  =    1.329    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    4 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50       -51.8549   2.0000                                         
     2  0  0.50        -2.8742   1.0000                                         
     2  1  0.50        -1.3606   0.0000                                         
     3  2  1.50        -1.3606   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -51.8548813     23  1.400                                             
     0     -2.8742052     23  1.700                                             
     1     -1.3605826     23  1.400                                             
     2     -1.3605826     23  1.400                                             
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
  PAW_PBE Au 04Oct2007                  :
 energy of atom  1       EATOM= -926.0867
 kinetic energy error for atom=    0.0011 (will be added to EATOM!!)
  PAW_PBE Li_sv 10Sep2004               :
 energy of atom  2       EATOM= -202.7858
 kinetic energy error for atom=    0.0087 (will be added to EATOM!!)
 
 
 POSCAR: Au Li                                   
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.527  0.746  0.997-  16 2.69  15 2.71  15 2.72  13 2.73  10 2.81  10 2.82  14 2.86   8 2.87
                             8 2.87  11 2.89   4 3.00   4 3.01   9 3.54
   2  0.473  0.942  0.503-  14 2.69  13 2.71  13 2.73  15 2.73  10 2.81  10 2.82  16 2.86   3 2.87
                             3 2.87  12 2.89   9 3.00   9 3.01   4 3.54
   3  0.234  0.143  0.623-  10 2.68  16 2.80  16 2.81  12 2.84   9 2.85  12 2.86   2 2.87   2 2.87
                             6 2.89   5 2.89   6 2.89   7 2.93
   4  0.014  0.602  0.260-  13 2.71  13 2.72  14 2.74  15 2.74   7 2.83  11 2.84  11 2.84   7 2.85
                             8 2.85  12 2.96   1 3.00   1 3.01   2 3.54
   5  0.499  0.215  0.006-  15 2.74  16 2.76  16 2.76  12 2.80   9 2.83   9 2.85  11 2.86  11 2.87
                             3 2.89   6 2.92   8 2.93   6 2.94
   6  0.000  0.344  0.750-  16 2.65  14 2.65  11 2.79  12 2.79   3 2.89   8 2.89   8 2.89   3 2.89
                             5 2.92   7 2.92   7 2.94   5 2.94
   7  0.501  0.472  0.494-  13 2.74  14 2.76  14 2.76  11 2.80   4 2.83   4 2.85  12 2.87  12 2.87
                             8 2.89   6 2.92   3 2.93   6 2.94
   8  0.766  0.545  0.877-  10 2.68  14 2.80  14 2.81  11 2.84   4 2.85  11 2.86   1 2.87   1 2.87
                             6 2.89   7 2.89   6 2.89   5 2.93
   9  0.986  0.086  0.240-  15 2.71  15 2.72  16 2.74  13 2.74   5 2.83  12 2.84  12 2.84   5 2.85
                             3 2.85  11 2.96   2 3.00   2 3.01   1 3.54
  10  0.000  0.844  0.750-   8 2.68   3 2.68   1 2.81   2 2.81   2 2.82   1 2.82
  11  0.260  0.419  0.117-   6 2.79   7 2.80   4 2.84   4 2.84   8 2.84   8 2.86   5 2.86   5 2.87
                             1 2.89   9 2.96
  12  0.740  0.268  0.383-   6 2.79   5 2.80   9 2.84   9 2.84   3 2.84   3 2.86   7 2.87   7 2.87
                             2 2.89   4 2.96
  13  0.744  0.779  0.368-   4 2.71   2 2.71   4 2.72   1 2.73   2 2.73   7 2.74   9 2.74
  14  0.240  0.642  0.632-   6 2.65   2 2.69   4 2.74   7 2.76   7 2.76   8 2.80   8 2.81   1 2.86

  15  0.256  0.909  0.132-   9 2.71   1 2.71   9 2.72   1 2.72   2 2.73   5 2.74   4 2.74
  16  0.761  0.046  0.868-   6 2.65   1 2.69   9 2.74   5 2.76   5 2.76   3 2.80   3 2.81   2 2.86

 
  LATTYP: Found a triclinic cell.
 ALAT       =     9.5910188559
 B/A-ratio  =     1.3036072734
 C/A-ratio  =     1.8669439134
 COS(alpha) =     0.0009959916
 COS(beta)  =     0.5907552398
 COS(gamma) =     0.7985068060
  
  Lattice vectors:
  
 A1 = (  -4.3049107521,  -8.4995453744,  -1.1014147895)
 A2 = (  -6.6432794266,  -8.6864106011,   6.0610367403)
 A3 = (  -3.7390932356,  -8.0257587650, -15.5636572773)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The static configuration has the point symmetry C_1 .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 triclinic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of  2 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


 irot  :   1
 --------------------------------------------------------------------
 isymop:   1   0   0
           0   1   0
           0   0   1

 gtrans:     0.0000000     0.0000000     0.0000000

 ptrans:     0.0000000     0.0000000     0.0000000
 rotmap:
 (   1->   1)  (   2->   2)  (   3->   3)  (   4->   4)  (   5->   5) 
 (   6->   6)  (   7->   7)  (   8->   8)  (   9->   9)  (  10->  10) 
 (  11->  11)  (  12->  12)  (  13->  13)  (  14->  14)  (  15->  15) 
 (  16->  16) 
 
 
 KPOINTS: KPOINTS created by Atomic Simulation Env

Automatic generation of k-mesh.
Space group operators:
 irot     det(A)      alpha        n_x        n_y        n_z      tau_x      tau_y      tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     42 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.125000      2.000000
  0.142857  0.000000  0.125000      2.000000
  0.285714  0.000000  0.125000      2.000000
  0.428571  0.000000  0.125000      2.000000
 -0.428571 -0.000000  0.125000      2.000000
 -0.285714 -0.000000  0.125000      2.000000
 -0.142857 -0.000000  0.125000      2.000000
  0.000000  0.333333  0.125000      2.000000
  0.142857  0.333333  0.125000      2.000000
  0.285714  0.333333  0.125000      2.000000
  0.428571  0.333333  0.125000      2.000000
 -0.428571  0.333333  0.125000      2.000000
 -0.285714  0.333333  0.125000      2.000000
 -0.142857  0.333333  0.125000      2.000000
  0.000000 -0.333333  0.125000      2.000000
  0.142857 -0.333333  0.125000      2.000000
  0.285714 -0.333333  0.125000      2.000000
  0.428571 -0.333333  0.125000      2.000000
 -0.428571 -0.333333  0.125000      2.000000
 -0.285714 -0.333333  0.125000      2.000000
 -0.142857 -0.333333  0.125000      2.000000
  0.000000  0.000000  0.375000      2.000000
  0.142857  0.000000  0.375000      2.000000
  0.285714  0.000000  0.375000      2.000000
  0.428571  0.000000  0.375000      2.000000
 -0.428571 -0.000000  0.375000      2.000000
 -0.285714 -0.000000  0.375000      2.000000
 -0.142857  0.000000  0.375000      2.000000
 -0.000000  0.333333  0.375000      2.000000
  0.142857  0.333333  0.375000      2.000000
  0.285714  0.333333  0.375000      2.000000
  0.428571  0.333333  0.375000      2.000000
 -0.428571  0.333333  0.375000      2.000000
 -0.285714  0.333333  0.375000      2.000000
 -0.142857  0.333333  0.375000      2.000000
  0.000000 -0.333333  0.375000      2.000000
  0.142857 -0.333333  0.375000      2.000000
  0.285714 -0.333333  0.375000      2.000000
  0.428571 -0.333333  0.375000      2.000000
 -0.428571 -0.333333  0.375000      2.000000
 -0.285714 -0.333333  0.375000      2.000000
 -0.142857 -0.333333  0.375000      2.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
 -0.000621 -0.001914  0.017199      2.000000
  0.034092  0.012602  0.028911      2.000000
  0.068804  0.027118  0.040623      2.000000
  0.103517  0.041634  0.052334      2.000000
 -0.104759 -0.045462 -0.017935      2.000000
 -0.070047 -0.030946 -0.006224      2.000000
 -0.035334 -0.016430  0.005488      2.000000
  0.000275  0.036681  0.018499      2.000000
  0.034987  0.051198  0.030210      2.000000
  0.069700  0.065714  0.041922      2.000000
  0.104413  0.080230  0.053634      2.000000
 -0.103863 -0.006867 -0.016636      2.000000
 -0.069151  0.007649 -0.004924      2.000000
 -0.034438  0.022165  0.006787      2.000000
 -0.001517 -0.040510  0.015900      2.000000
  0.033196 -0.025994  0.027612      2.000000
  0.067908 -0.011478  0.039323      2.000000
  0.102621  0.003038  0.051035      2.000000
 -0.105655 -0.084058 -0.019235      2.000000
 -0.070943 -0.069542 -0.007523      2.000000
 -0.036230 -0.055026  0.004188      2.000000
 -0.001864 -0.005742  0.051598      2.000000
  0.032849  0.008774  0.063310      2.000000
  0.067562  0.023290  0.075021      2.000000
  0.102275  0.037806  0.086733      2.000000
 -0.106002 -0.049291  0.016463      2.000000
 -0.071289 -0.034775  0.028175      2.000000
 -0.036576 -0.020259  0.039887      2.000000
 -0.000968  0.032853  0.052898      2.000000
  0.033745  0.047369  0.064609      2.000000
  0.068458  0.061885  0.076321      2.000000
  0.103170  0.076401  0.088032      2.000000
 -0.105106 -0.010695  0.017763      2.000000
 -0.070393  0.003821  0.029474      2.000000
 -0.035680  0.018337  0.041186      2.000000
 -0.002760 -0.044338  0.050299      2.000000
  0.031953 -0.029822  0.062010      2.000000
  0.066666 -0.015306  0.073722      2.000000
  0.101379 -0.000790  0.085433      2.000000
 -0.106898 -0.087886  0.015164      2.000000
 -0.072185 -0.073370  0.026876      2.000000
 -0.037472 -0.058854  0.038587      2.000000
 


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =     42   k-points in BZ     NKDIM =     42   number of bands    NBANDS=     80
   number of dos      NEDOS =    301   number of ions     NIONS =     16
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = 184320
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  13147
   dimension x,y,z NGX =    36 NGY =   80 NGZ =   64
   dimension x,y,z NGXF=    48 NGYF=  108 NGZF=   84
   support grid    NGXF=    48 NGYF=  108 NGZF=   84
   ions per type =               9   7
 NGX,Y,Z   is equivalent  to a cutoff of  14.55, 13.89, 14.12 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  19.39, 18.75, 18.53 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    34 NGY =   78 NGZ =   61
 SYSTEM =  unknown system                          
 POSCAR =  Au Li                                   

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = high      normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  623.8 eV  45.85 Ry    6.77 a.u.   8.38 19.50 15.35*2*pi/ulx,y,z
   ENINI  =  623.8     initial cutoff
   ENAUG  =  628.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-06   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = -.5E-02   stopping-criterion for IOM
   NSW    =    250    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    250    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.387E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 196.97  7.01
  Ionic Valenz
   ZVAL   =  11.00  3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00
   NELECT =     120.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      T    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.31E-09  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      16.07       108.43
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.269943  2.399845 21.942871  1.612756
  Thomas-Fermi vector in A             =   2.402957
 
 Write flags
   LWAVE  =      T    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =    0.100 relaxation time in fs

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field



--------------------------------------------------------------------------------------------------------


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           20
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      623.79
  volume of cell :      257.07
      direct lattice vectors                 reciprocal lattice vectors
     4.110919832 -0.100056156  0.137339428     0.242988859  0.101612435  0.081981060
    -3.916928913  8.699657686  0.826735933     0.002687910  0.115786790  0.003898365
    -2.338368674 -0.186865227  7.162451530    -0.004969547 -0.015313261  0.137595046

  length of vectors
     4.114430121  9.576526942  7.536816210     0.275843373  0.115883574  0.138533711


 
 k-points in units of 2pi/SCALE and weight: KPOINTS created by Atomic Simulation Env
  -0.00062119 -0.00191416  0.01719938       0.024
   0.03409150  0.01260190  0.02891096       0.024
   0.06880419  0.02711797  0.04062254       0.024
   0.10351689  0.04163403  0.05233412       0.024
  -0.10475928 -0.04546234 -0.01793536       0.024
  -0.07004658 -0.03094628 -0.00622378       0.024
  -0.03533389 -0.01643022  0.00548780       0.024
   0.00027478  0.03668144  0.01849884       0.024
   0.03498747  0.05119750  0.03021042       0.024
   0.06970016  0.06571356  0.04192200       0.024
   0.10441286  0.08022963  0.05363358       0.024
  -0.10386331 -0.00686675 -0.01663590       0.024
  -0.06915061  0.00764931 -0.00492432       0.024
  -0.03443792  0.02216538  0.00678726       0.024
  -0.00151716 -0.04050975  0.01589993       0.024
   0.03319553 -0.02599369  0.02761151       0.024
   0.06790822 -0.01147763  0.03932309       0.024
   0.10262092  0.00303843  0.05103467       0.024
  -0.10565525 -0.08405794 -0.01923481       0.024
  -0.07094255 -0.06954188 -0.00752323       0.024
  -0.03622986 -0.05502582  0.00418835       0.024
  -0.00186358 -0.00574247  0.05159814       0.024
   0.03284911  0.00877359  0.06330972       0.024
   0.06756181  0.02328965  0.07502130       0.024
   0.10227450  0.03780571  0.08673288       0.024
  -0.10600166 -0.04929066  0.01646340       0.024
  -0.07128897 -0.03477460  0.02817498       0.024
  -0.03657627 -0.02025854  0.03988656       0.024
  -0.00096761  0.03285312  0.05289760       0.024
   0.03374508  0.04736919  0.06460918       0.024
   0.06845778  0.06188525  0.07632076       0.024
   0.10317047  0.07640131  0.08803234       0.024
  -0.10510569 -0.01069506  0.01776286       0.024
  -0.07039300  0.00382100  0.02947444       0.024
  -0.03568030  0.01833706  0.04118602       0.024
  -0.00275955 -0.04433807  0.05029869       0.024
   0.03195314 -0.02982201  0.06201027       0.024
   0.06666584 -0.01530595  0.07372185       0.024
   0.10137853 -0.00078988  0.08543343       0.024
  -0.10689763 -0.08788626  0.01516395       0.024
  -0.07218494 -0.07337019  0.02687553       0.024
  -0.03747224 -0.05885413  0.03858711       0.024
 
 k-points in reciprocal lattice and weights: KPOINTS created by Atomic Simulation Env
   0.00000000  0.00000000  0.12500000       0.024
   0.14285714  0.00000000  0.12500000       0.024
   0.28571429  0.00000000  0.12500000       0.024
   0.42857143  0.00000000  0.12500000       0.024
  -0.42857143 -0.00000000  0.12500000       0.024
  -0.28571429 -0.00000000  0.12500000       0.024
  -0.14285714 -0.00000000  0.12500000       0.024
   0.00000000  0.33333333  0.12500000       0.024
   0.14285714  0.33333333  0.12500000       0.024
   0.28571429  0.33333333  0.12500000       0.024
   0.42857143  0.33333333  0.12500000       0.024
  -0.42857143  0.33333333  0.12500000       0.024
  -0.28571429  0.33333333  0.12500000       0.024
  -0.14285714  0.33333333  0.12500000       0.024
   0.00000000 -0.33333333  0.12500000       0.024
   0.14285714 -0.33333333  0.12500000       0.024
   0.28571429 -0.33333333  0.12500000       0.024
   0.42857143 -0.33333333  0.12500000       0.024
  -0.42857143 -0.33333333  0.12500000       0.024
  -0.28571429 -0.33333333  0.12500000       0.024
  -0.14285714 -0.33333333  0.12500000       0.024
   0.00000000  0.00000000  0.37500000       0.024
   0.14285714  0.00000000  0.37500000       0.024
   0.28571429  0.00000000  0.37500000       0.024
   0.42857143  0.00000000  0.37500000       0.024
  -0.42857143 -0.00000000  0.37500000       0.024
  -0.28571429 -0.00000000  0.37500000       0.024
  -0.14285714  0.00000000  0.37500000       0.024
  -0.00000000  0.33333333  0.37500000       0.024
   0.14285714  0.33333333  0.37500000       0.024
   0.28571429  0.33333333  0.37500000       0.024
   0.42857143  0.33333333  0.37500000       0.024
  -0.42857143  0.33333333  0.37500000       0.024
  -0.28571429  0.33333333  0.37500000       0.024
  -0.14285714  0.33333333  0.37500000       0.024
   0.00000000 -0.33333333  0.37500000       0.024
   0.14285714 -0.33333333  0.37500000       0.024
   0.28571429 -0.33333333  0.37500000       0.024
   0.42857143 -0.33333333  0.37500000       0.024
  -0.42857143 -0.33333333  0.37500000       0.024
  -0.28571429 -0.33333333  0.37500000       0.024
  -0.14285714 -0.33333333  0.37500000       0.024
 
 position of ions in fractional coordinates (direct lattice) 
   0.52686277  0.74564062  0.99706977
   0.47315028  0.94189719  0.50293750
   0.23421802  0.14257894  0.62296895
   0.01431149  0.60189585  0.26003726
   0.49864797  0.21521520  0.00633293
   0.00002601  0.34376666  0.75000150
   0.50137359  0.47233514  0.49365511
   0.76571955  0.54496907  0.87702091
   0.98557060  0.08553770  0.23997010
   0.00004523  0.84375772  0.74999350
   0.25986469  0.41948898  0.11736481
   0.74013394  0.26792243  0.38267311
   0.74415224  0.77871058  0.36827482
   0.23954815  0.64197575  0.63209716
   0.25586088  0.90872299  0.13171699
   0.76051423  0.04558522  0.86788580
 
 position of ions in cartesian coordinates  (Angst):
  -3.08624744  6.24778466  7.83027084
  -2.92031476  8.05286000  4.44594789
  -1.05235116  1.10054183  4.61202739
  -2.90681288  5.18626398  2.36207875
   1.19211044  1.82122238  0.29176949
  -3.10018267  2.85050050  5.65605724
  -0.94334419  3.96674158  3.99513558
  -1.03759164  4.50054468  6.83732876
   3.15541808  0.60069419  1.92484903
  -5.05851438  7.20025114  6.06936314
  -0.84926779  3.60147805  1.22311602
   1.09836734  2.18527019  3.06402827
  -0.85216607  6.63124071  3.38374002
  -3.00788634  5.44288403  5.09100908
  -2.81558267  7.85536515  1.72983032
   0.91842200  0.15830397  6.35832547
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.1250  plane waves:    9137
 k-point  2 :   0.1429 0.0000 0.1250  plane waves:    9099
 k-point  3 :   0.2857 0.0000 0.1250  plane waves:    9078
 k-point  4 :   0.4286 0.0000 0.1250  plane waves:    9088
 k-point  5 :  -0.4286-0.0000 0.1250  plane waves:    9087
 k-point  6 :  -0.2857-0.0000 0.1250  plane waves:    9092
 k-point  7 :  -0.1429-0.0000 0.1250  plane waves:    9122
 k-point  8 :   0.0000 0.3333 0.1250  plane waves:    9123
 k-point  9 :   0.1429 0.3333 0.1250  plane waves:    9095
 k-point 10 :   0.2857 0.3333 0.1250  plane waves:    9094
 k-point 11 :   0.4286 0.3333 0.1250  plane waves:    9083
 k-point 12 :  -0.4286 0.3333 0.1250  plane waves:    9097
 k-point 13 :  -0.2857 0.3333 0.1250  plane waves:    9096
 k-point 14 :  -0.1429 0.3333 0.1250  plane waves:    9116
 k-point 15 :   0.0000-0.3333 0.1250  plane waves:    9090
 k-point 16 :   0.1429-0.3333 0.1250  plane waves:    9107
 k-point 17 :   0.2857-0.3333 0.1250  plane waves:    9089
 k-point 18 :   0.4286-0.3333 0.1250  plane waves:    9083
 k-point 19 :  -0.4286-0.3333 0.1250  plane waves:    9073
 k-point 20 :  -0.2857-0.3333 0.1250  plane waves:    9095
 k-point 21 :  -0.1429-0.3333 0.1250  plane waves:    9104
 k-point 22 :   0.0000 0.0000 0.3750  plane waves:    9102
 k-point 23 :   0.1429 0.0000 0.3750  plane waves:    9104
 k-point 24 :   0.2857 0.0000 0.3750  plane waves:    9094
 k-point 25 :   0.4286 0.0000 0.3750  plane waves:    9084
 k-point 26 :  -0.4286-0.0000 0.3750  plane waves:    9085
 k-point 27 :  -0.2857-0.0000 0.3750  plane waves:    9095
 k-point 28 :  -0.1429 0.0000 0.3750  plane waves:    9104
 k-point 29 :  -0.0000 0.3333 0.3750  plane waves:    9107
 k-point 30 :   0.1429 0.3333 0.3750  plane waves:    9093
 k-point 31 :   0.2857 0.3333 0.3750  plane waves:    9099
 k-point 32 :   0.4286 0.3333 0.3750  plane waves:    9076
 k-point 33 :  -0.4286 0.3333 0.3750  plane waves:    9084
 k-point 34 :  -0.2857 0.3333 0.3750  plane waves:    9078
 k-point 35 :  -0.1429 0.3333 0.3750  plane waves:    9106
 k-point 36 :   0.0000-0.3333 0.3750  plane waves:    9087
 k-point 37 :   0.1429-0.3333 0.3750  plane waves:    9084
 k-point 38 :   0.2857-0.3333 0.3750  plane waves:    9093
 k-point 39 :   0.4286-0.3333 0.3750  plane waves:    9075
 k-point 40 :  -0.4286-0.3333 0.3750  plane waves:    9082
 k-point 41 :  -0.2857-0.3333 0.3750  plane waves:    9072
 k-point 42 :  -0.1429-0.3333 0.3750  plane waves:    9102

 maximum and minimum number of plane-waves per node :      9137     9072

 maximum number of plane-waves:      9137
 maximum index in each direction: 
   IXMAX=    8   IYMAX=   19   IZMAX=   15
   IXMIN=   -8   IYMIN=  -19   IZMIN=  -15

 NGX is ok and might be reduce to  34
 NGY is ok and might be reduce to  78
 NGZ is ok and might be reduce to  62

 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP on root node   185536. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :     113045. kBytes
   fftplans  :       1823. kBytes
   grid      :       8971. kBytes
   one-center:        248. kBytes
   wavefun   :      31449. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 17   NGY = 39   NGZ = 31
  (NGX  = 48   NGY  =108   NGZ  = 84)
  gives a total of  20553 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron     120.0000000 magnetization 
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges          881 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.279
 Maximum number of real-space cells 4x 2x 2
 Maximum number of reciprocal cells 2x 4x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00


----------------------------------------- Iteration    1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.05
    SETDIJ:  cpu time    0.01: real time    0.02
     EDDAV:  cpu time   15.65: real time   15.72
       DOS:  cpu time    0.00: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   15.70: real time   15.79

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) : 0.8956431E+03  (-0.6331697E+04)
 number of electr     EDDAV:  cpu time   17.62: real time   17.70
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.36: real time   19.46

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.1535192E-02  (-0.2083622E-03)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0510715 magnetization 

 Broyden mixing:
  rms(total) = 0.13370E-01    rms(broyden)= 0.13370E-01
  rms(prec ) = 0.17169E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3872
  0.9717  1.8027

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.27522137
  Ewald energy   TEWEN  =     -8357.68545011
  -1/2 Hartree   DENC   =     -1869.74767365
  -exchange  EXHF       =          EDDAV:  cpu time   15.69: real time   15.74
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.69: real time   15.74

 eigenvalue-minimisations  :  6752
 total energy-change (2. order) :-0.8901007E+03  (-0.8444507E+03)
 number of electron     120.0000000 magnetization 
 augmentation part      120.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -2016.62657175
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       226.70934731
  PAW double counting   =      842     EDDAV:  cpu time   17.77: real time   17.85
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.50: real time   19.60

 eigenvalue-minimisations  :  8016
 total energy-change (2. order) : 0.4395256E-03  (-0.7706891E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0514741 magnetization 

 Broyden mixing:
  rms(total) = 0.40353E-02    rms(broyden)= 0.40352     EDDAV:  cpu time   20.12: real time   20.19
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.12: real time   20.20

 eigenvalue-minimisations  :  9392
 total energy-change (2. order) :-0.5673621E+02  (-0.5559821E+02)
 number of electron     120.0000000 magnetization 
 augmentation part      120.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -2016.62657175
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       226.70934731
  PAW double counting   =      8425.20891108    -8325.26067934
  entropy T*S    EENTRO =         0.00211612
  eigenvalues    EBANDS =      -217.29396102
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -51.19381414 eV

  energy without entropy =      -51.19593027  energy(sigma->0) =      -51.19451952
-


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.67: real time   18.76
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    -----------------     EDDAV:  cpu time   22.21: real time   22.27
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.21: real time   22.28

 eigenvalue-minimisations  : 10688
 total energy-change (2. order) :-0.5579816E+01  (-0.5516766E+01)
 number of electron     120.0000000 magnetization 
 augmentation part      120.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -2016.62657175
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       226.70934731
  PAW double counting   =      8425.20891108    -8325.26067934
  entropy T*S    EENTRO =        -0.00494909
  eigenvalues    EBANDS =      -222.86671176
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -56.77363010 eV

  energy without entropy =      -56.76868101  energy(sigma->0) =      -56.77198040
------------
  free energy    TOTEN  =       -49.87741409 eV

  energy without entropy =      -49.88259894  energy(sigma->0) =      -49.87914237


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.90: real time   18.99
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    -----------------     EDDAV:  cpu time   18.84: real time   18.89
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.68: real time    1.69
    MIXING:  cpu time    0.00: real time    0.01
    --------------------------------------------
      LOOP:  cpu time   20.52: real time   20.59

 eigenvalue-minimisations  :  8656
 total energy-change (2. order) :-0.1064947E+00  (-0.1064896E+00)
 number of electron     120.0000056 magnetization 
 augmentation part       39.1355817 magnetization 

 Broyden mixing:
  rms(total) = 0.18648E+01    rms(broyden)= 0.18648E+01
  rms(prec ) = 0.27342E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -2016.62657175
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       226.70934731
  PAW double counting   =      8425.20891108    -8325.26067934
  entropy T*S    EENTRO =        -0.00505788
  eigenvalues    EBANDS =      -222.97309768
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -56.88012481 eV

  energy without entropy =      -56.87506693  energy(sigma->0) =      -56.87843885
---------------------




----------------------------------------- Iteration    8(   7)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.38: real time   17.47
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.12: real time   19.22

 eigenvalue-minimisa     EDDAV:  cpu time   17.86: real time   17.91
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.59: real time   19.66

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.6851578E+01  (-0.3008420E+01)
 number of electron     120.0000058 magnetization 
 augmentation part       42.1186790 magnetization 

 Broyden mixing:
  rms(total) = 0.13164E+01    rms(broyden)= 0.13164E+01
  rms(prec ) = 0.13420E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7772
  0.7772

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1869.63366475
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       221.12188248
  PAW double counting   =      8712.89581127    -8626.42600557
  entropy T*S    EENTRO =         0.00252729
  eigenvalues    EBANDS =      -344.05612118
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -50.02854702 eV

  energy without entropy =      -50.03107430  energy(sigma->0) =      -50.02938945
J:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.57: real time   13.63
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.60: real time   13.67

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) :-0.4056164E-07  (-0.4248337E-08)
 number of electr     EDDAV:  cpu time   17.36: real time   17.40
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.13: real time   19.19

 eigenvalue-minimisations  :  7760
 total energy-change (2. order) : 0.8650187E-01  (-0.1671470E+00)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0999233 magnetization 

 Broyden mixing:
  rms(total) = 0.73164E+00    rms(broyden)= 0.73163E+00
  rms(prec ) = 0.73538E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4090
  0.9578  1.8603

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1871.67017353
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       221.07154543
  PAW double counting   =      9036.10538378    -8954.54159590
  entropy T*S    EENTRO =         0.00284013
  eigenvalues    EBANDS =      -336.97706851
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.94204514 eV

  energy without entropy =      -49.94488527  energy(sigma->0) =      -49.94299185
No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7860      2.00000
      4     -39.6516      2.00000
      5     -39.6512      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.9423      2.00000
      9      -0.6496      2.00000
     10      -0.1259      2.00000
     11       0.1739      2.00000
     12       0.2623      2.00000
     13       0.2933      2.00000
     14       0.4398      2.00000
     15       0.5348      2.00000
     16       0.6073      2.00000
     17       0.6333      2.00000
     18       0.6699      2.00000
     19       0.7439      2.00000
     20       0.8950      2.00000
     21       0.9403      2.00000
     22       1.0544      2.00000
     23       1.0980      2.00000
     24       1.1882      2.00000
     25       1.2195      2.00000
     26       1.2824      2.00000
     27       1.3149      2.00000
     28       1.5824      2.00000
     29       1.6543      2.00000
     30       1.7114      2.00000
     31       1.7396      2.00000
     32       1.7898      2.00000
     33       1.9204      2.00000
     34       1.9404      2.00000
     35       2.1481      2.00000
     36       2.1771      2.00000
     37       2.2723      2.00000
     38       2.3171      2.00000
     39       2.4468      2.00000
     40       2.5365      2.00000
     41       2.5876      2.00000
     42       2.6409      2.00000
     43       2.7258      2.00000
     44       2.8666      2.00000
     45       2.8754      2.00000
     46       2.9078      2.00000
     47       3.0025      2.00000
     48       3.0437      2.00000
     49       3.1015      2.00000
     50       3.1333      2.00000
     51       3.3275      2.00000
     52       3.3875      2.00000
     53       3.5013      2.00000
     54       3.5854      2.00000
     55       3.8885      2.00000
     56       4.0753      2.00000
     57       4.2322      2.00000
     58       4.2332      2.00000
     59       4.9523      2.00000
     60       5.6235      2.01674
     61       6.2848     -0.06842
     62       8.1984     -0.00000
     63       8.3004     -0.00000
     64       8.3214     -0.00000
     65       8.9382     -0.00000
     66       9.6697     -0.00000
     67      10.3927     -0.00000
     68      10.7373     -0.00000
     69      11.4859      0.00000
     70      11.7677      0.00000
     71      11.8269      0.00000
     72      12.0641      0.00000
     73      12.2752      0.00000
     74      12.3423      0.00000
     75      12.5204      0.00000
     76      12.7970      0.00000
     77      13.3017      0.00000
     78      13.6604      0.00000
     79      13.7954      0.00000
     80      14.6406      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.6700      2.00000
      9      -0.5718      2.00000
     10      -0.2722      2.00000
     11       0.2656      2.00000
     12       0.2811      2.00000
     13       0.3887      2.00000
     14       0.4662      2.00000
     15       0.6025      2.00000
     16       0.6140      2.00000
     17       0.7318      2.00000
     18       0.8258      2.00000
     19       0.9098      2.00000
     20       0.9359      2.00000
     21       0.9748      2.00000
     22       1.0997      2.00000
     23       1.1171      2.00000
     24       1.1988      2.00000
     25       1.2498      2.00000
     26       1.3525      2.00000
     27       1.3794      2.00000
     28       1.4963      2.00000
     29       1.6279      2.00000
     30       1.6657      2.00000
     31       1.7526      2.00000
     32       1.8233      2.00000
     33       1.8551      2.00000
     34       2.0129      2.00000
     35       2.0315      2.00000
     36       2.1723      2.00000
     37       2.2550      2.00000
     38       2.3603      2.00000
     39       2.4545      2.00000
     40       2.5042      2.00000
     41       2.5656      2.00000
     42       2.6082      2.00000
     43       2.6858      2.00000
     44       2.7366      2.00000
     45       2.8040      2.00000
     46       2.8227      2.00000
     47       2.9262      2.00000
     48       3.0528      2.00000
     49       3.1143      2.00000
     50       3.1982      2.00000
     51       3.2390      2.00000
     52       3.2742      2.00000
     53       3.4187      2.00000
     54       3.6168      2.00000
     55       3.7110      2.00000
     56       3.8501      2.00000
     57       4.0966      2.00000
     58       4.5861      2.00000
     59       5.5150      2.00204
     60       6.2852     -0.06833
     61       6.7932     -0.00000
     62       7.1030     -0.00000
     63       7.7177     -0.00000
     64       8.1699     -0.00000
     65       8.5814     -0.00000
     66       8.7209     -0.00000
     67       9.6428     -0.00000
     68      10.3014     -0.00000
     69      10.6191     -0.00000
     70      10.6695     -0.00000
     71      11.1361     -0.00000
     72      11.7260      0.00000
     73      12.5558      0.00000
     74      12.9484      0.00000
     75      13.2335      0.00000
     76      13.3064      0.00000
     77      13.4805      0.00000
     78      13.8570      0.00000
     79      14.4486      0.00000
     80      14.7206      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0292      2.00000
      9      -0.4117      2.00000
     10      -0.1243      2.00000
     11       0.3212      2.00000
     12       0.4230      2.00000
     13       0.5011      2.00000
     14       0.5883      2.00000
     15       0.6480      2.00000
     16       0.7370      2.00000
     17       0.8409      2.00000
     18       0.9172      2.00000
     19       0.9993      2.00000
     20       1.0435      2.00000
     21       1.0754      2.00000
     22       1.1747      2.00000
     23       1.2275      2.00000
     24       1.2806      2.00000
     25       1.3133      2.00000
     26       1.3601      2.00000
     27       1.4562      2.00000
     28       1.5545      2.00000
     29       1.6048      2.00000
     30       1.7263      2.00000
     31       1.8118      2.00000
     32       1.8606      2.00000
     33       1.9591      2.00000
     34       2.0175      2.00000
     35       2.1085      2.00000
     36       2.1257      2.00000
     37       2.1890      2.00000
     38       2.2538      2.00000
     39       2.3101      2.00000
     40       2.4024      2.00000
     41       2.4908      2.00000
     42       2.5386      2.00000
     43       2.6562      2.00000
     44       2.6961      2.00000
     45       2.7445      2.00000
     46       2.7948      2.00000
     47       2.8417      2.00000
     48       2.9270      2.00000
     49       3.0145      2.00000
     50       3.1007      2.00000
     51       3.1444      2.00000
     52       3.2384      2.00000
     53       3.3668      2.00000
     54       3.4577      2.00000
     55       3.5819      2.00000
     56       3.8221      2.00000
     57       4.6154      2.00000
     58       5.0063      2.00000
     59       5.4491      2.00041
     60       5.7836      2.07041
     61       6.4840     -0.00505
     62       6.8394     -0.00000
     63       6.9890     -0.00000
     64       7.5341     -0.00000
     65       7.9958     -0.00000
     66       8.3423     -0.00000
     67       8.6973     -0.00000
     68       9.4280     -0.00000
     69       9.8073     -0.00000
     70      10.3610     -0.00000
     71      10.4762     -0.00000
     72      10.7937     -0.00000
     73      11.4063     -0.00000
     74      12.1902      0.00000
     75      13.1286      0.00000
     76      13.7004      0.00000
     77      13.7616      0.00000
     78      13.8917      0.00000
     79      14.2833      0.00000
     80      14.6983      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3876      2.00000
      9      -0.1087      2.00000
     10       0.0928      2.00000
     11       0.1657      2.00000
     12       0.4867      2.00000
     13       0.5089      2.00000
     14       0.5613      2.00000
     15       0.6361      2.00000
     16       0.8276      2.00000
     17       0.9203      2.00000
     18       0.9340      2.00000
     19       1.1122      2.00000
     20       1.1682      2.00000
     21       1.1852      2.00000
     22       1.2716      2.00000
     23       1.3715      2.00000
     24       1.3925      2.00000
     25       1.4091      2.00000
     26       1.4779      2.00000
     27       1.5163      2.00000
     28       1.6473      2.00000
     29       1.6842      2.00000
     30       1.7364      2.00000
     31       1.8034      2.00000
     32       1.9119      2.00000
     33       1.9557      2.00000
     34       2.0640      2.00000
     35       2.1453      2.00000
     36       2.1626      2.00000
     37       2.1857      2.00000
     38       2.2818      2.00000
     39       2.3167      2.00000
     40       2.3720      2.00000
     41       2.4658      2.00000
     42       2.4807      2.00000
     43       2.5520      2.00000
     44       2.6421      2.00000
     45       2.6755      2.00000
     46       2.7606      2.00000
     47       2.8022      2.00000
     48       2.8400      2.00000
     49       2.9250      2.00000
     50       3.0636      2.00000
     51       3.1637      2.00000
     52       3.2733      2.00000
     53       3.3668      2.00000
     54       3.5574      2.00000
     55       3.6436      2.00000
     56       3.8235      2.00000
     57       4.1470      2.00000
     58       4.2979      2.00000
     59       5.1367      2.00000
     60       5.8649      1.96872
     61       6.0582      0.68797
     62       6.1735      0.03932
     63       6.8188     -0.00000
     64       7.0772     -0.00000
     65       7.6712     -0.00000
     66       8.2271     -0.00000
     67       8.4933     -0.00000
     68       8.8354     -0.00000
     69       9.4883     -0.00000
     70       9.7783     -0.00000
     71      10.5321     -0.00000
     72      10.9699     -0.00000
     73      11.1357     -0.00000
     74      11.7865      0.00000
     75      12.2819      0.00000
     76      12.7709      0.00000
     77      13.4158      0.00000
     78      13.7849      0.00000
     79      13.9694      0.00000
     80      14.6534      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9176      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4427      2.00000
      9      -0.1781      2.00000
     10       0.0391      2.00000
     11       0.1397      2.00000
     12       0.5034      2.00000
     13       0.5288      2.00000
     14       0.7049      2.00000
     15       0.7414      2.00000
     16       0.8752      2.00000
     17       0.9154      2.00000
     18       0.9910      2.00000
     19       1.0681      2.00000
     20       1.0885      2.00000
     21       1.2428      2.00000
     22       1.2832      2.00000
     23       1.3296      2.00000
     24       1.3866      2.00000
     25       1.3938      2.00000
     26       1.4466      2.00000
     27       1.4954      2.00000
     28       1.6714      2.00000
     29       1.7036      2.00000
     30       1.7459      2.00000
     31       1.8056      2.00000
     32       1.8773      2.00000
     33       1.9078      2.00000
     34       2.0439      2.00000
     35       2.0826      2.00000
     36       2.1459      2.00000
     37       2.1636      2.00000
     38       2.2319      2.00000
     39       2.3404      2.00000
     40       2.4424      2.00000
     41       2.4639      2.00000
     42       2.5433      2.00000
     43       2.5852      2.00000
     44       2.6258      2.00000
     45       2.6805      2.00000
     46       2.7366      2.00000
     47       2.8078      2.00000
     48       2.8508      2.00000
     49       2.9126      2.00000
     50       3.0992      2.00000
     51       3.1837      2.00000
     52       3.2080      2.00000
     53       3.5208      2.00000
     54       3.5539      2.00000
     55       3.7448      2.00000
     56       4.2057      2.00000
     57       4.3917      2.00000
     58       4.5669      2.00000
     59       4.7201      2.00000
     60       5.1911      2.00000
     61       5.6185      2.01543
     62       6.0856      0.48116
     63       6.1064      0.34314
     64       7.1116     -0.00000
     65       8.2664     -0.00000
     66       8.3966     -0.00000
     67       8.9093     -0.00000
     68       9.1578     -0.00000
     69       9.2554     -0.00000
     70       9.9650     -0.00000
     71      10.4716     -0.00000
     72      10.6052     -0.00000
     73      11.3646     -0.00000
     74      11.9252      0.00000
     75      12.5812      0.00000
     76      13.1571      0.00000
     77      13.5258      0.00000
     78      13.8799      0.00000
     79      14.1333      0.00000
     80      14.4645      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.1603      2.00000
      9      -0.4791      2.00000
     10       0.0257      2.00000
     11       0.1496      2.00000
     12       0.5212      2.00000
     13       0.5893      2.00000
     14       0.6538      2.00000
     15       0.6906      2.00000
     16       0.8201      2.00000
     17       0.8374      2.00000
     18       0.8716      2.00000
     19       0.9601      2.00000
     20       1.0877      2.00000
     21       1.1298      2.00000
     22       1.1871      2.00000
     23       1.2107      2.00000
     24       1.3062      2.00000
     25       1.3392      2.00000
     26       1.3954      2.00000
     27       1.4442      2.00000
     28       1.4792      2.00000
     29       1.6403      2.00000
     30       1.7374      2.00000
     31       1.7629      2.00000
     32       1.8418      2.00000
     33       1.9029      2.00000
     34       1.9630      2.00000
     35       2.0591      2.00000
     36       2.1606      2.00000
     37       2.2259      2.00000
     38       2.2973      2.00000
     39       2.3628      2.00000
     40       2.4407      2.00000
     41       2.5199      2.00000
     42       2.5574      2.00000
     43       2.6067      2.00000
     44       2.6569      2.00000
     45       2.7700      2.00000
     46       2.7946      2.00000
     47       2.8789      2.00000
     48       2.8890      2.00000
     49       3.0469      2.00000
     50       3.0924      2.00000
     51       3.1384      2.00000
     52       3.2127      2.00000
     53       3.3235      2.00000
     54       3.5308      2.00000
     55       3.7004      2.00000
     56       4.1011      2.00000
     57       4.4590      2.00000
     58       4.8458      2.00000
     59       5.4990      2.00141
     60       5.7007      2.04614
     61       6.0859      0.47918
     62       6.3622     -0.03640
     63       6.9749     -0.00000
     64       7.1820     -0.00000
     65       7.5844     -0.00000
     66       8.2261     -0.00000
     67       8.9852     -0.00000
     68       9.2572     -0.00000
     69      10.2486     -0.00000
     70      11.0523     -0.00000
     71      11.3112     -0.00000
     72      11.6889      0.00000
     73      12.1226      0.00000
     74      12.3695      0.00000
     75      12.7933      0.00000
     76      13.4255      0.00000
     77      13.6359      0.00000
     78      13.9071      0.00000
     79      14.2962      0.00000
     80      14.4209      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.7542      2.00000
      9      -0.6342      2.00000
     10       0.0417      2.00000
     11       0.1821      2.00000
     12       0.3302      2.00000
     13       0.3436      2.00000
     14       0.4062      2.00000
     15       0.6267      2.00000
     16       0.6475      2.00000
     17       0.7342      2.00000
     18       0.8133      2.00000
     19       0.8850      2.00000
     20       0.9086      2.00000
     21       1.0617      2.00000
     22       1.0660      2.00000
     23       1.1504      2.00000
     24       1.2186      2.00000
     25       1.2792      2.00000
     26       1.3025      2.00000
     27       1.3323      2.00000
     28       1.4635      2.00000
     29       1.6624      2.00000
     30       1.6820      2.00000
     31       1.7707      2.00000
     32       1.8297      2.00000
     33       1.9008      2.00000
     34       1.9270      2.00000
     35       2.0809      2.00000
     36       2.1584      2.00000
     37       2.2828      2.00000
     38       2.3334      2.00000
     39       2.3823      2.00000
     40       2.4871      2.00000
     41       2.5242      2.00000
     42       2.6194      2.00000
     43       2.7405      2.00000
     44       2.7964      2.00000
     45       2.8269      2.00000
     46       2.8727      2.00000
     47       2.9358      2.00000
     48       3.0247      2.00000
     49       3.0932      2.00000
     50       3.1243      2.00000
     51       3.2121      2.00000
     52       3.2685      2.00000
     53       3.4376      2.00000
     54       3.6779      2.00000
     55       3.7896      2.00000
     56       3.9494      2.00000
     57       4.1256      2.00000
     58       4.8625      2.00000
     59       5.0468      2.00000
     60       5.5605      2.00538
     61       6.7276     -0.00001
     62       7.1790     -0.00000
     63       7.7285     -0.00000
     64       8.2281     -0.00000
     65       8.7076     -0.00000
     66       8.9770     -0.00000
     67       9.3921     -0.00000
     68      10.1931     -0.00000
     69      10.7697     -0.00000
     70      10.8377     -0.00000
     71      11.4242     -0.00000
     72      12.4781      0.00000
     73      12.8971      0.00000
     74      13.0679      0.00000
     75      13.2713      0.00000
     76      13.4477      0.00000
     77      13.8149      0.00000
     78      13.8855      0.00000
     79      14.3090      0.00000
     80      14.4277      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9150      2.00000
      3     -39.7860      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.8612      2.00000
      9      -0.8975      2.00000
     10      -0.0288      2.00000
     11       0.1675      2.00000
     12       0.2095      2.00000
     13       0.2953      2.00000
     14       0.4328      2.00000
     15       0.5817      2.00000
     16       0.6122      2.00000
     17       0.6231      2.00000
     18       0.6871      2.00000
     19       0.7740      2.00000
     20       0.8424      2.00000
     21       0.9333      2.00000
     22       1.0380      2.00000
     23       1.0801      2.00000
     24       1.2492      2.00000
     25       1.3015      2.00000
     26       1.3957      2.00000
     27       1.4196      2.00000
     28       1.5882      2.00000
     29       1.6073      2.00000
     30       1.6486      2.00000
     31       1.7029      2.00000
     32       1.8057      2.00000
     33       1.8863      2.00000
     34       1.9444      2.00000
     35       2.1657      2.00000
     36       2.2263      2.00000
     37       2.2286      2.00000
     38       2.2942      2.00000
     39       2.4445      2.00000
     40       2.5002      2.00000
     41       2.6181      2.00000
     42       2.6607      2.00000
     43       2.6708      2.00000
     44       2.8216      2.00000
     45       2.8393      2.00000
     46       2.8828      2.00000
     47       2.9077      2.00000
     48       3.0607      2.00000
     49       3.1096      2.00000
     50       3.1506      2.00000
     51       3.3191      2.00000
     52       3.3681      2.00000
     53       3.4569      2.00000
     54       3.6336      2.00000
     55       3.9533      2.00000
     56       4.2249      2.00000
     57       4.2344      2.00000
     58       4.3501      2.00000
     59       4.8990      2.00000
     60       6.2838     -0.06867
     61       6.4956     -0.00398
     62       6.9187     -0.00000
     63       7.2093     -0.00000
     64       8.8165     -0.00000
     65       9.5484     -0.00000
     66       9.7181     -0.00000
     67       9.8957     -0.00000
     68      10.9836     -0.00000
     69      11.2022     -0.00000
     70      11.2964     -0.00000
     71      11.4628     -0.00000
     72      12.3154      0.00000
     73      12.6931      0.00000
     74      13.1358      0.00000
     75      13.3997      0.00000
     76      13.5207      0.00000
     77      13.8223      0.00000
     78      13.9986      0.00000
     79      14.2762      0.00000
     80      14.5304      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.5804      2.00000
      9      -0.8176      2.00000
     10      -0.1461      2.00000
     11       0.2276      2.00000
     12       0.2681      2.00000
     13       0.4240      2.00000
     14       0.5049      2.00000
     15       0.5778      2.00000
     16       0.6207      2.00000
     17       0.6880      2.00000
     18       0.7865      2.00000
     19       0.8857      2.00000
     20       0.9583      2.00000
     21       0.9839      2.00000
     22       1.0522      2.00000
     23       1.1550      2.00000
     24       1.2174      2.00000
     25       1.2929      2.00000
     26       1.3696      2.00000
     27       1.4005      2.00000
     28       1.5317      2.00000
     29       1.5640      2.00000
     30       1.6198      2.00000
     31       1.6712      2.00000
     32       1.8884      2.00000
     33       1.9685      2.00000
     34       2.0205      2.00000
     35       2.1596      2.00000
     36       2.1850      2.00000
     37       2.2672      2.00000
     38       2.3162      2.00000
     39       2.3632      2.00000
     40       2.3883      2.00000
     41       2.4464      2.00000
     42       2.6528      2.00000
     43       2.6713      2.00000
     44       2.7752      2.00000
     45       2.7929      2.00000
     46       2.8418      2.00000
     47       2.9824      2.00000
     48       3.0098      2.00000
     49       3.1183      2.00000
     50       3.1762      2.00000
     51       3.1897      2.00000
     52       3.3087      2.00000
     53       3.4569      2.00000
     54       3.6451      2.00000
     55       3.7020      2.00000
     56       3.8907      2.00000
     57       4.4392      2.00000
     58       4.9033      2.00000
     59       5.5495      2.00431
     60       5.8555      1.99274
     61       6.5067     -0.00315
     62       7.0426     -0.00000
     63       7.5221     -0.00000
     64       8.0677     -0.00000
     65       8.3161     -0.00000
     66       8.9215     -0.00000
     67       9.4102     -0.00000
     68       9.6737     -0.00000
     69      10.4612     -0.00000
     70      12.0120      0.00000
     71      12.3053      0.00000
     72      12.3984      0.00000
     73      12.5630      0.00000
     74      12.7249      0.00000
     75      12.8510      0.00000
     76      13.3184      0.00000
     77      13.6049      0.00000
     78      13.9254      0.00000
     79      14.0043      0.00000
     80      14.4196      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0245      2.00000
      9      -0.3861      2.00000
     10      -0.1331      2.00000
     11       0.3215      2.00000
     12       0.3992      2.00000
     13       0.4957      2.00000
     14       0.5340      2.00000
     15       0.6730      2.00000
     16       0.7803      2.00000
     17       0.8152      2.00000
     18       0.9344      2.00000
     19       0.9425      2.00000
     20       1.0264      2.00000
     21       1.0735      2.00000
     22       1.1635      2.00000
     23       1.2183      2.00000
     24       1.3052      2.00000
     25       1.3514      2.00000
     26       1.4119      2.00000
     27       1.4756      2.00000
     28       1.5471      2.00000
     29       1.6131      2.00000
     30       1.7512      2.00000
     31       1.8240      2.00000
     32       1.8855      2.00000
     33       1.9252      2.00000
     34       1.9892      2.00000
     35       2.0401      2.00000
     36       2.0819      2.00000
     37       2.1389      2.00000
     38       2.2161      2.00000
     39       2.3089      2.00000
     40       2.4644      2.00000
     41       2.5025      2.00000
     42       2.5643      2.00000
     43       2.6213      2.00000
     44       2.6798      2.00000
     45       2.7963      2.00000
     46       2.8236      2.00000
     47       2.8754      2.00000
     48       2.9229      2.00000
     49       2.9733      2.00000
     50       3.0836      2.00000
     51       3.1715      2.00000
     52       3.2476      2.00000
     53       3.2842      2.00000
     54       3.4720      2.00000
     55       3.6083      2.00000
     56       4.0076      2.00000
     57       4.4769      2.00000
     58       5.2548      2.00000
     59       5.6811      2.03727
     60       5.8973      1.85471
     61       6.2931     -0.06612
     62       6.5270     -0.00201
     63       6.6997     -0.00002
     64       7.4435     -0.00000
     65       7.6907     -0.00000
     66       8.1053     -0.00000
     67       9.1361     -0.00000
     68       9.8301     -0.00000
     69       9.9535     -0.00000
     70      10.1204     -0.00000
     71      11.1044     -0.00000
     72      11.1935     -0.00000
     73      11.7651      0.00000
     74      12.0699      0.00000
     75      12.4230      0.00000
     76      12.7746      0.00000
     77      13.2934      0.00000
     78      13.6800      0.00000
     79      14.0694      0.00000
     80      14.4171      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3886      2.00000
      9      -0.0849      2.00000
     10       0.0707      2.00000
     11       0.1470      2.00000
     12       0.4136      2.00000
     13       0.5195      2.00000
     14       0.6060      2.00000
     15       0.7149      2.00000
     16       0.8516      2.00000
     17       0.9049      2.00000
     18       0.9147      2.00000
     19       1.0960      2.00000
     20       1.1513      2.00000
     21       1.1829      2.00000
     22       1.2476      2.00000
     23       1.3143      2.00000
     24       1.3992      2.00000
     25       1.4609      2.00000
     26       1.4927      2.00000
     27       1.5973      2.00000
     28       1.6673      2.00000
     29       1.7131      2.00000
     30       1.7306      2.00000
     31       1.8366      2.00000
     32       1.8790      2.00000
     33       1.9584      2.00000
     34       1.9819      2.00000
     35       2.0730      2.00000
     36       2.1207      2.00000
     37       2.2342      2.00000
     38       2.3024      2.00000
     39       2.3472      2.00000
     40       2.3884      2.00000
     41       2.4559      2.00000
     42       2.5136      2.00000
     43       2.5262      2.00000
     44       2.6271      2.00000
     45       2.6921      2.00000
     46       2.7288      2.00000
     47       2.7935      2.00000
     48       2.8456      2.00000
     49       2.8733      2.00000
     50       3.0699      2.00000
     51       3.1408      2.00000
     52       3.2711      2.00000
     53       3.3263      2.00000
     54       3.4815      2.00000
     55       3.5892      2.00000
     56       3.7312      2.00000
     57       4.4124      2.00000
     58       4.7766      2.00000
     59       5.1320      2.00000
     60       5.6621      2.02943
     61       5.9454      1.58955
     62       6.2131     -0.04144
     63       6.5186     -0.00242
     64       6.7298     -0.00001
     65       7.7457     -0.00000
     66       8.0531     -0.00000
     67       8.5179     -0.00000
     68       9.3124     -0.00000
     69       9.7502     -0.00000
     70      10.1757     -0.00000
     71      10.8659     -0.00000
     72      10.9784     -0.00000
     73      11.3764     -0.00000
     74      11.5939      0.00000
     75      12.1268      0.00000
     76      12.4622      0.00000
     77      13.1269      0.00000
     78      13.4258      0.00000
     79      14.0310      0.00000
     80      14.2874      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7853      2.00000
      4     -39.6513      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5967      2.00000
      8      -0.4398      2.00000
      9      -0.1528      2.00000
     10      -0.0386      2.00000
     11       0.1378      2.00000
     12       0.5497      2.00000
     13       0.6664      2.00000
     14       0.7013      2.00000
     15       0.7300      2.00000
     16       0.7973      2.00000
     17       0.8854      2.00000
     18       0.9541      2.00000
     19       1.0840      2.00000
     20       1.1037      2.00000
     21       1.1381      2.00000
     22       1.2625      2.00000
     23       1.3371      2.00000
     24       1.3677      2.00000
     25       1.3903      2.00000
     26       1.5439      2.00000
     27       1.5834      2.00000
     28       1.6671      2.00000
     29       1.7155      2.00000
     30       1.7619      2.00000
     31       1.8152      2.00000
     32       1.8586      2.00000
     33       1.9623      2.00000
     34       2.0010      2.00000
     35       2.0929      2.00000
     36       2.1612      2.00000
     37       2.2407      2.00000
     38       2.3270      2.00000
     39       2.3394      2.00000
     40       2.4492      2.00000
     41       2.4692      2.00000
     42       2.4955      2.00000
     43       2.5211      2.00000
     44       2.5654      2.00000
     45       2.5796      2.00000
     46       2.7238      2.00000
     47       2.7563      2.00000
     48       2.8141      2.00000
     49       2.8829      2.00000
     50       3.1272      2.00000
     51       3.1619      2.00000
     52       3.2893      2.00000
     53       3.5111      2.00000
     54       3.5734      2.00000
     55       3.6470      2.00000
     56       4.0680      2.00000
     57       4.4086      2.00000
     58       4.5153      2.00000
     59       5.0037      2.00000
     60       5.1509      2.00000
     61       5.8145      2.05606
     62       6.1468      0.13343
     63       6.5125     -0.00277
     64       7.1549     -0.00000
     65       7.2558     -0.00000
     66       7.7703     -0.00000
     67       8.3331     -0.00000
     68       9.5559     -0.00000
     69       9.9831     -0.00000
     70      10.5773     -0.00000
     71      11.0009     -0.00000
     72      11.2541     -0.00000
     73      11.7960      0.00000
     74      12.0386      0.00000
     75      12.2665      0.00000
     76      12.8863      0.00000
     77      13.1488      0.00000
     78      13.3244      0.00000
     79      14.1439      0.00000
     80      14.3396      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.2061      2.00000
      9      -0.3442      2.00000
     10      -0.0764      2.00000
     11       0.1079      2.00000
     12       0.5496      2.00000
     13       0.5740      2.00000
     14       0.6412      2.00000
     15       0.7163      2.00000
     16       0.8467      2.00000
     17       0.8771      2.00000
     18       0.9459      2.00000
     19       1.0069      2.00000
     20       1.0840      2.00000
     21       1.1102      2.00000
     22       1.1729      2.00000
     23       1.2437      2.00000
     24       1.2609      2.00000
     25       1.3182      2.00000
     26       1.3846      2.00000
     27       1.3942      2.00000
     28       1.5508      2.00000
     29       1.6754      2.00000
     30       1.7015      2.00000
     31       1.8127      2.00000
     32       1.8841      2.00000
     33       1.9333      2.00000
     34       2.0073      2.00000
     35       2.0200      2.00000
     36       2.0579      2.00000
     37       2.1621      2.00000
     38       2.2031      2.00000
     39       2.3964      2.00000
     40       2.4408      2.00000
     41       2.4942      2.00000
     42       2.5410      2.00000
     43       2.6164      2.00000
     44       2.6592      2.00000
     45       2.7686      2.00000
     46       2.8546      2.00000
     47       2.8842      2.00000
     48       2.9226      2.00000
     49       3.0224      2.00000
     50       3.0546      2.00000
     51       3.1043      2.00000
     52       3.1916      2.00000
     53       3.2854      2.00000
     54       3.5256      2.00000
     55       3.6527      2.00000
     56       4.0035      2.00000
     57       4.3375      2.00000
     58       5.3203      2.00001
     59       5.4744      2.00078
     60       5.6691      2.03219
     61       5.8427      2.01912
     62       6.6346     -0.00013
     63       6.9561     -0.00000
     64       7.4574     -0.00000
     65       7.8360     -0.00000
     66       7.9006     -0.00000
     67       8.4517     -0.00000
     68       9.7056     -0.00000
     69       9.9888     -0.00000
     70      10.4272     -0.00000
     71      11.7497      0.00000
     72      12.2437      0.00000
     73      12.5677      0.00000
     74      12.8873      0.00000
     75      13.0924      0.00000
     76      13.3982      0.00000
     77      13.4562      0.00000
     78      13.5429      0.00000
     79      13.8955      0.00000
     80      14.1046      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.7411      2.00000
      9      -0.6705      2.00000
     10       0.0131      2.00000
     11       0.2345      2.00000
     12       0.3205      2.00000
     13       0.3484      2.00000
     14       0.4044      2.00000
     15       0.6281      2.00000
     16       0.6436      2.00000
     17       0.7186      2.00000
     18       0.8106      2.00000
     19       0.8765      2.00000
     20       0.9558      2.00000
     21       1.0185      2.00000
     22       1.0854      2.00000
     23       1.1537      2.00000
     24       1.2301      2.00000
     25       1.2607      2.00000
     26       1.3335      2.00000
     27       1.4003      2.00000
     28       1.4404      2.00000
     29       1.6064      2.00000
     30       1.6793      2.00000
     31       1.7235      2.00000
     32       1.8240      2.00000
     33       1.8765      2.00000
     34       1.9582      2.00000
     35       2.1298      2.00000
     36       2.1949      2.00000
     37       2.2556      2.00000
     38       2.3112      2.00000
     39       2.3971      2.00000
     40       2.5156      2.00000
     41       2.5383      2.00000
     42       2.6112      2.00000
     43       2.7217      2.00000
     44       2.7603      2.00000
     45       2.8043      2.00000
     46       2.8832      2.00000
     47       2.9649      2.00000
     48       2.9965      2.00000
     49       3.1208      2.00000
     50       3.1598      2.00000
     51       3.2095      2.00000
     52       3.2895      2.00000
     53       3.4332      2.00000
     54       3.6293      2.00000
     55       3.7785      2.00000
     56       3.9515      2.00000
     57       4.1600      2.00000
     58       4.5080      2.00000
     59       5.2838      2.00000
     60       6.0567      0.70002
     61       6.5895     -0.00043
     62       6.9941     -0.00000
     63       7.7955     -0.00000
     64       8.0678     -0.00000
     65       8.3349     -0.00000
     66       8.7193     -0.00000
     67       9.6881     -0.00000
     68      10.4588     -0.00000
     69      10.9110     -0.00000
     70      11.0357     -0.00000
     71      11.3067     -0.00000
     72      12.5066      0.00000
     73      12.8861      0.00000
     74      13.0373      0.00000
     75      13.1618      0.00000
     76      13.5032      0.00000
     77      13.5987      0.00000
     78      13.9484      0.00000
     79      14.3575      0.00000
     80      14.4800      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9150      2.00000
      3     -39.7859      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.8535      2.00000
      9      -0.9342      2.00000
     10       0.0407      2.00000
     11       0.1744      2.00000
     12       0.2080      2.00000
     13       0.2899      2.00000
     14       0.4258      2.00000
     15       0.5938      2.00000
     16       0.6115      2.00000
     17       0.6233      2.00000
     18       0.6893      2.00000
     19       0.7225      2.00000
     20       0.8416      2.00000
     21       0.9476      2.00000
     22       1.0903      2.00000
     23       1.1030      2.00000
     24       1.1994      2.00000
     25       1.2706      2.00000
     26       1.3527      2.00000
     27       1.3660      2.00000
     28       1.5479      2.00000
     29       1.6510      2.00000
     30       1.6934      2.00000
     31       1.7098      2.00000
     32       1.8011      2.00000
     33       1.8674      2.00000
     34       1.8982      2.00000
     35       2.1232      2.00000
     36       2.2161      2.00000
     37       2.2551      2.00000
     38       2.3849      2.00000
     39       2.4325      2.00000
     40       2.5231      2.00000
     41       2.5944      2.00000
     42       2.6225      2.00000
     43       2.6802      2.00000
     44       2.8462      2.00000
     45       2.8695      2.00000
     46       2.9860      2.00000
     47       3.0470      2.00000
     48       3.0557      2.00000
     49       3.1281      2.00000
     50       3.1904      2.00000
     51       3.2823      2.00000
     52       3.3119      2.00000
     53       3.5400      2.00000
     54       3.6500      2.00000
     55       3.9137      2.00000
     56       3.9428      2.00000
     57       4.2186      2.00000
     58       4.4134      2.00000
     59       5.0019      2.00000
     60       5.5966      2.01065
     61       6.2268     -0.05605
     62       7.7579     -0.00000
     63       8.1790     -0.00000
     64       8.6116     -0.00000
     65       8.6540     -0.00000
     66       9.7729     -0.00000
     67      10.4002     -0.00000
     68      10.5918     -0.00000
     69      10.8111     -0.00000
     70      11.2540     -0.00000
     71      11.7484      0.00000
     72      12.4686      0.00000
     73      12.7333      0.00000
     74      12.8314      0.00000
     75      13.1388      0.00000
     76      13.2408      0.00000
     77      13.6989      0.00000
     78      14.4314      0.00000
     79      14.4879      0.00000
     80      14.5575      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.6524      2.00000
      9      -0.6529      2.00000
     10      -0.2055      2.00000
     11       0.2479      2.00000
     12       0.2946      2.00000
     13       0.4355      2.00000
     14       0.4390      2.00000
     15       0.5931      2.00000
     16       0.6344      2.00000
     17       0.7258      2.00000
     18       0.7824      2.00000
     19       0.8735      2.00000
     20       0.9388      2.00000
     21       0.9845      2.00000
     22       1.0804      2.00000
     23       1.1432      2.00000
     24       1.1791      2.00000
     25       1.2527      2.00000
     26       1.3627      2.00000
     27       1.3763      2.00000
     28       1.4956      2.00000
     29       1.6229      2.00000
     30       1.6439      2.00000
     31       1.7459      2.00000
     32       1.8746      2.00000
     33       1.8977      2.00000
     34       1.9985      2.00000
     35       2.0818      2.00000
     36       2.1805      2.00000
     37       2.2373      2.00000
     38       2.3208      2.00000
     39       2.4006      2.00000
     40       2.4759      2.00000
     41       2.5681      2.00000
     42       2.6330      2.00000
     43       2.7230      2.00000
     44       2.7645      2.00000
     45       2.8225      2.00000
     46       2.8550      2.00000
     47       2.9325      2.00000
     48       3.0226      2.00000
     49       3.0811      2.00000
     50       3.1367      2.00000
     51       3.2301      2.00000
     52       3.2607      2.00000
     53       3.5452      2.00000
     54       3.6712      2.00000
     55       3.7416      2.00000
     56       3.8151      2.00000
     57       4.1012      2.00000
     58       4.9367      2.00000
     59       5.0827      2.00000
     60       5.8214      2.04947
     61       6.8059     -0.00000
     62       7.1847     -0.00000
     63       7.7840     -0.00000
     64       8.6858     -0.00000
     65       8.9472     -0.00000
     66       9.1310     -0.00000
     67       9.4553     -0.00000
     68       9.6294     -0.00000
     69       9.7893     -0.00000
     70      10.9465     -0.00000
     71      11.5608      0.00000
     72      12.1327      0.00000
     73      12.3300      0.00000
     74      12.4777      0.00000
     75      13.1601      0.00000
     76      13.3005      0.00000
     77      13.7032      0.00000
     78      14.0759      0.00000
     79      14.4026      0.00000
     80      14.5369      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0726      2.00000
      9      -0.2653      2.00000
     10      -0.2109      2.00000
     11       0.2627      2.00000
     12       0.4261      2.00000
     13       0.5263      2.00000
     14       0.5612      2.00000
     15       0.6805      2.00000
     16       0.7923      2.00000
     17       0.8366      2.00000
     18       0.9147      2.00000
     19       1.0060      2.00000
     20       1.0946      2.00000
     21       1.1035      2.00000
     22       1.1479      2.00000
     23       1.1992      2.00000
     24       1.2292      2.00000
     25       1.2759      2.00000
     26       1.3566      2.00000
     27       1.4958      2.00000
     28       1.5819      2.00000
     29       1.6377      2.00000
     30       1.6637      2.00000
     31       1.8201      2.00000
     32       1.8396      2.00000
     33       1.9975      2.00000
     34       2.0081      2.00000
     35       2.0679      2.00000
     36       2.1696      2.00000
     37       2.2052      2.00000
     38       2.2496      2.00000
     39       2.3000      2.00000
     40       2.3762      2.00000
     41       2.5086      2.00000
     42       2.6287      2.00000
     43       2.6564      2.00000
     44       2.7200      2.00000
     45       2.7592      2.00000
     46       2.8055      2.00000
     47       2.8408      2.00000
     48       2.9323      2.00000
     49       2.9539      2.00000
     50       3.0954      2.00000
     51       3.1197      2.00000
     52       3.2096      2.00000
     53       3.4128      2.00000
     54       3.4973      2.00000
     55       3.5875      2.00000
     56       3.6867      2.00000
     57       4.4249      2.00000
     58       4.7945      2.00000
     59       5.4324      2.00026
     60       5.9954      1.21196
     61       6.6029     -0.00030
     62       6.9418     -0.00000
     63       7.0303     -0.00000
     64       7.3343     -0.00000
     65       8.2616     -0.00000
     66       8.5048     -0.00000
     67       8.8323     -0.00000
     68       9.3409     -0.00000
     69       9.9776     -0.00000
     70      10.1835     -0.00000
     71      10.3299     -0.00000
     72      11.0752     -0.00000
     73      11.7786      0.00000
     74      12.1372      0.00000
     75      12.3159      0.00000
     76      12.9700      0.00000
     77      13.7752      0.00000
     78      13.8333      0.00000
     79      14.0862      0.00000
     80      14.2274      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3629      2.00000
      9      -0.1411      2.00000
     10       0.0817      2.00000
     11       0.1478      2.00000
     12       0.4570      2.00000
     13       0.5671      2.00000
     14       0.6369      2.00000
     15       0.6890      2.00000
     16       0.7362      2.00000
     17       0.8944      2.00000
     18       0.9488      2.00000
     19       1.0636      2.00000
     20       1.1484      2.00000
     21       1.1795      2.00000
     22       1.2182      2.00000
     23       1.3234      2.00000
     24       1.3818      2.00000
     25       1.4711      2.00000
     26       1.5373      2.00000
     27       1.5675      2.00000
     28       1.6355      2.00000
     29       1.7139      2.00000
     30       1.7819      2.00000
     31       1.8486      2.00000
     32       1.9081      2.00000
     33       1.9424      2.00000
     34       2.0890      2.00000
     35       2.1464      2.00000
     36       2.1557      2.00000
     37       2.2519      2.00000
     38       2.2631      2.00000
     39       2.3348      2.00000
     40       2.3755      2.00000
     41       2.4192      2.00000
     42       2.5139      2.00000
     43       2.5632      2.00000
     44       2.5966      2.00000
     45       2.6178      2.00000
     46       2.6894      2.00000
     47       2.7708      2.00000
     48       2.7947      2.00000
     49       2.8781      2.00000
     50       3.0720      2.00000
     51       3.1289      2.00000
     52       3.1885      2.00000
     53       3.3671      2.00000
     54       3.5337      2.00000
     55       3.6289      2.00000
     56       3.8865      2.00000
     57       4.3708      2.00000
     58       4.7209      2.00000
     59       5.0995      2.00000
     60       5.6358      2.02027
     61       5.6931      2.04265
     62       6.1973     -0.01686
     63       6.6462     -0.00009
     64       7.0127     -0.00000
     65       7.5032     -0.00000
     66       7.8725     -0.00000
     67       8.9944     -0.00000
     68       9.6024     -0.00000
     69       9.8902     -0.00000
     70      10.0883     -0.00000
     71      10.4730     -0.00000
     72      10.7352     -0.00000
     73      11.0987     -0.00000
     74      11.6180      0.00000
     75      12.2487      0.00000
     76      12.9582      0.00000
     77      13.1858      0.00000
     78      13.9050      0.00000
     79      13.9232      0.00000
     80      14.0600      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9176      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4481      2.00000
      9      -0.1471      2.00000
     10      -0.0100      2.00000
     11       0.1333      2.00000
     12       0.5376      2.00000
     13       0.5753      2.00000
     14       0.6455      2.00000
     15       0.7569      2.00000
     16       0.8640      2.00000
     17       0.9517      2.00000
     18       1.0014      2.00000
     19       1.0516      2.00000
     20       1.1077      2.00000
     21       1.1696      2.00000
     22       1.2250      2.00000
     23       1.3167      2.00000
     24       1.3952      2.00000
     25       1.4715      2.00000
     26       1.5036      2.00000
     27       1.5485      2.00000
     28       1.5988      2.00000
     29       1.7162      2.00000
     30       1.7570      2.00000
     31       1.7958      2.00000
     32       1.8972      2.00000
     33       1.9585      2.00000
     34       1.9729      2.00000
     35       2.0552      2.00000
     36       2.1806      2.00000
     37       2.1929      2.00000
     38       2.2903      2.00000
     39       2.3299      2.00000
     40       2.3573      2.00000
     41       2.4743      2.00000
     42       2.4962      2.00000
     43       2.5848      2.00000
     44       2.6171      2.00000
     45       2.6784      2.00000
     46       2.7687      2.00000
     47       2.8025      2.00000
     48       2.8152      2.00000
     49       2.9023      2.00000
     50       3.1233      2.00000
     51       3.1782      2.00000
     52       3.2328      2.00000
     53       3.5171      2.00000
     54       3.5732      2.00000
     55       3.6849      2.00000
     56       3.8790      2.00000
     57       4.4436      2.00000
     58       4.5853      2.00000
     59       4.9765      2.00000
     60       5.4264      2.00022
     61       5.7598      2.06918
     62       5.8231      2.04762
     63       6.7155     -0.00001
     64       6.9925     -0.00000
     65       7.2859     -0.00000
     66       7.5123     -0.00000
     67       9.0281     -0.00000
     68       9.4117     -0.00000
     69      10.1108     -0.00000
     70      10.5195     -0.00000
     71      10.8615     -0.00000
     72      11.2199     -0.00000
     73      11.4115     -0.00000
     74      11.6811      0.00000
     75      12.0267      0.00000
     76      12.6539      0.00000
     77      13.4644      0.00000
     78      13.5623      0.00000
     79      14.1029      0.00000
     80      14.1502      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.1345      2.00000
      9      -0.5374      2.00000
     10       0.1073      2.00000
     11       0.1299      2.00000
     12       0.5088      2.00000
     13       0.5857      2.00000
     14       0.6555      2.00000
     15       0.6910      2.00000
     16       0.7986      2.00000
     17       0.8221      2.00000
     18       0.8464      2.00000
     19       0.9385      2.00000
     20       1.0946      2.00000
     21       1.1355      2.00000
     22       1.1774      2.00000
     23       1.2050      2.00000
     24       1.3230      2.00000
     25       1.3625      2.00000
     26       1.4026      2.00000
     27       1.4436      2.00000
     28       1.5137      2.00000
     29       1.5714      2.00000
     30       1.6912      2.00000
     31       1.7370      2.00000
     32       1.8766      2.00000
     33       1.9191      2.00000
     34       1.9756      2.00000
     35       2.1198      2.00000
     36       2.1661      2.00000
     37       2.2421      2.00000
     38       2.2877      2.00000
     39       2.3523      2.00000
     40       2.4262      2.00000
     41       2.5154      2.00000
     42       2.5714      2.00000
     43       2.6597      2.00000
     44       2.6955      2.00000
     45       2.7654      2.00000
     46       2.8094      2.00000
     47       2.8531      2.00000
     48       2.9101      2.00000
     49       2.9621      2.00000
     50       3.0801      2.00000
     51       3.1223      2.00000
     52       3.2085      2.00000
     53       3.3504      2.00000
     54       3.5120      2.00000
     55       3.7018      2.00000
     56       4.1247      2.00000
     57       4.6067      2.00000
     58       4.9801      2.00000
     59       5.3659      2.00004
     60       5.6835      2.03833
     61       6.0259      0.95535
     62       6.2215     -0.05115
     63       6.7042     -0.00001
     64       7.1792     -0.00000
     65       7.6223     -0.00000
     66       8.7394     -0.00000
     67       8.9145     -0.00000
     68       9.3509     -0.00000
     69      10.4074     -0.00000
     70      10.6075     -0.00000
     71      11.0215     -0.00000
     72      11.6351      0.00000
     73      12.2298      0.00000
     74      12.4977      0.00000
     75      12.8261      0.00000
     76      13.3547      0.00000
     77      13.5957      0.00000
     78      14.0788      0.00000
     79      14.2404      0.00000
     80      14.4855      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.6553      2.00000
      9      -0.8906      2.00000
     10       0.1428      2.00000
     11       0.2653      2.00000
     12       0.3151      2.00000
     13       0.3225      2.00000
     14       0.4002      2.00000
     15       0.6257      2.00000
     16       0.6460      2.00000
     17       0.6645      2.00000
     18       0.7501      2.00000
     19       0.8549      2.00000
     20       0.9349      2.00000
     21       1.0564      2.00000
     22       1.1255      2.00000
     23       1.1794      2.00000
     24       1.2202      2.00000
     25       1.2738      2.00000
     26       1.3795      2.00000
     27       1.3917      2.00000
     28       1.4758      2.00000
     29       1.5915      2.00000
     30       1.6911      2.00000
     31       1.7422      2.00000
     32       1.8455      2.00000
     33       1.8553      2.00000
     34       2.0347      2.00000
     35       2.1594      2.00000
     36       2.1912      2.00000
     37       2.2311      2.00000
     38       2.2629      2.00000
     39       2.3684      2.00000
     40       2.4447      2.00000
     41       2.5168      2.00000
     42       2.6255      2.00000
     43       2.6526      2.00000
     44       2.7802      2.00000
     45       2.8308      2.00000
     46       2.8779      2.00000
     47       2.9553      2.00000
     48       2.9851      2.00000
     49       3.1162      2.00000
     50       3.1911      2.00000
     51       3.2056      2.00000
     52       3.2961      2.00000
     53       3.4778      2.00000
     54       3.7147      2.00000
     55       3.9402      2.00000
     56       3.9649      2.00000
     57       4.1993      2.00000
     58       4.6053      2.00000
     59       5.0584      2.00000
     60       5.6521      2.02569
     61       6.7384     -0.00000
     62       7.3372     -0.00000
     63       7.6646     -0.00000
     64       8.2669     -0.00000
     65       8.4713     -0.00000
     66       8.5742     -0.00000
     67       9.0122     -0.00000
     68       9.2328     -0.00000
     69      11.3378     -0.00000
     70      12.1213      0.00000
     71      12.4151      0.00000
     72      12.6541      0.00000
     73      12.8394      0.00000
     74      13.1089      0.00000
     75      13.2869      0.00000
     76      13.5479      0.00000
     77      13.7111      0.00000
     78      13.7837      0.00000
     79      13.8864      0.00000
     80      14.0731      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6571      2.00000
      9      -0.7772      2.00000
     10      -0.6027      2.00000
     11       0.0797      2.00000
     12       0.2667      2.00000
     13       0.3786      2.00000
     14       0.3951      2.00000
     15       0.5509      2.00000
     16       0.6313      2.00000
     17       0.7410      2.00000
     18       0.7438      2.00000
     19       0.8360      2.00000
     20       0.8896      2.00000
     21       0.9240      2.00000
     22       1.0481      2.00000
     23       1.1036      2.00000
     24       1.1338      2.00000
     25       1.2353      2.00000
     26       1.3269      2.00000
     27       1.3549      2.00000
     28       1.4904      2.00000
     29       1.6051      2.00000
     30       1.6160      2.00000
     31       1.7801      2.00000
     32       1.9024      2.00000
     33       1.9054      2.00000
     34       2.0915      2.00000
     35       2.1459      2.00000
     36       2.2267      2.00000
     37       2.3489      2.00000
     38       2.4386      2.00000
     39       2.4654      2.00000
     40       2.4732      2.00000
     41       2.5428      2.00000
     42       2.6190      2.00000
     43       2.6805      2.00000
     44       2.6859      2.00000
     45       2.8180      2.00000
     46       2.8768      2.00000
     47       2.9557      2.00000
     48       2.9784      2.00000
     49       3.1546      2.00000
     50       3.2312      2.00000
     51       3.3185      2.00000
     52       3.3395      2.00000
     53       3.4421      2.00000
     54       3.5319      2.00000
     55       3.7155      2.00000
     56       3.7511      2.00000
     57       3.9844      2.00000
     58       4.2039      2.00000
     59       5.8183      2.05264
     60       7.2687     -0.00000
     61       7.4186     -0.00000
     62       7.4658     -0.00000
     63       7.7607     -0.00000
     64       8.2358     -0.00000
     65       8.7304     -0.00000
     66       9.2676     -0.00000
     67       9.8833     -0.00000
     68      10.4898     -0.00000
     69      10.6556     -0.00000
     70      11.2261     -0.00000
     71      11.2630     -0.00000
     72      11.4278     -0.00000
     73      12.3991      0.00000
     74      12.9865      0.00000
     75      13.1377      0.00000
     76      13.1836      0.00000
     77      13.4106      0.00000
     78      13.8844      0.00000
     79      13.9084      0.00000
     80      14.5925      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3887      2.00000
      9      -0.7707      2.00000
     10      -0.4108      2.00000
     11       0.1207      2.00000
     12       0.1946      2.00000
     13       0.4724      2.00000
     14       0.5399      2.00000
     15       0.6271      2.00000
     16       0.6468      2.00000
     17       0.7480      2.00000
     18       0.7607      2.00000
     19       0.9184      2.00000
     20       0.9590      2.00000
     21       0.9919      2.00000
     22       0.9976      2.00000
     23       1.1028      2.00000
     24       1.1677      2.00000
     25       1.1904      2.00000
     26       1.3331      2.00000
     27       1.3531      2.00000
     28       1.5604      2.00000
     29       1.6173      2.00000
     30       1.7314      2.00000
     31       1.7679      2.00000
     32       1.8299      2.00000
     33       1.9621      2.00000
     34       2.0202      2.00000
     35       2.0497      2.00000
     36       2.1502      2.00000
     37       2.2772      2.00000
     38       2.2818      2.00000
     39       2.3634      2.00000
     40       2.5148      2.00000
     41       2.5563      2.00000
     42       2.6447      2.00000
     43       2.7092      2.00000
     44       2.7430      2.00000
     45       2.8004      2.00000
     46       2.8957      2.00000
     47       2.9233      2.00000
     48       3.0133      2.00000
     49       3.1084      2.00000
     50       3.1583      2.00000
     51       3.2195      2.00000
     52       3.3508      2.00000
     53       3.3740      2.00000
     54       3.5641      2.00000
     55       3.7840      2.00000
     56       3.8434      2.00000
     57       3.9875      2.00000
     58       4.2310      2.00000
     59       6.2121     -0.04017
     60       6.5069     -0.00313
     61       7.3916     -0.00000
     62       7.7899     -0.00000
     63       7.8892     -0.00000
     64       8.3542     -0.00000
     65       8.5563     -0.00000
     66       8.8082     -0.00000
     67       8.8328     -0.00000
     68       9.6446     -0.00000
     69      10.2129     -0.00000
     70      10.6327     -0.00000
     71      10.7703     -0.00000
     72      11.1188     -0.00000
     73      11.9488      0.00000
     74      12.2970      0.00000
     75      12.6573      0.00000
     76      13.1667      0.00000
     77      13.6244      0.00000
     78      13.9354      0.00000
     79      14.2744      0.00000
     80      14.6608      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.9019      2.00000
      9      -0.3824      2.00000
     10      -0.0404      2.00000
     11       0.0641      2.00000
     12       0.4455      2.00000
     13       0.4995      2.00000
     14       0.5999      2.00000
     15       0.6964      2.00000
     16       0.7559      2.00000
     17       0.7605      2.00000
     18       0.8285      2.00000
     19       0.8916      2.00000
     20       1.0026      2.00000
     21       1.0393      2.00000
     22       1.1605      2.00000
     23       1.2368      2.00000
     24       1.2908      2.00000
     25       1.3783      2.00000
     26       1.4156      2.00000
     27       1.4935      2.00000
     28       1.6147      2.00000
     29       1.6583      2.00000
     30       1.7182      2.00000
     31       1.7881      2.00000
     32       1.8405      2.00000
     33       1.9264      2.00000
     34       1.9795      2.00000
     35       2.0337      2.00000
     36       2.0744      2.00000
     37       2.2183      2.00000
     38       2.2538      2.00000
     39       2.2914      2.00000
     40       2.4068      2.00000
     41       2.5551      2.00000
     42       2.6251      2.00000
     43       2.6345      2.00000
     44       2.7118      2.00000
     45       2.7399      2.00000
     46       2.8328      2.00000
     47       2.8694      2.00000
     48       2.9053      2.00000
     49       2.9371      2.00000
     50       3.0353      2.00000
     51       3.1354      2.00000
     52       3.3054      2.00000
     53       3.3444      2.00000
     54       3.4894      2.00000
     55       3.5720      2.00000
     56       3.7526      2.00000
     57       4.4165      2.00000
     58       5.2143      2.00000
     59       5.2910      2.00000
     60       5.9522      1.54308
     61       7.0562     -0.00000
     62       7.1856     -0.00000
     63       7.3424     -0.00000
     64       7.4458     -0.00000
     65       8.1702     -0.00000
     66       8.4112     -0.00000
     67       8.6228     -0.00000
     68       9.0632     -0.00000
     69       9.3299     -0.00000
     70       9.8255     -0.00000
     71      10.7642     -0.00000
     72      10.9725     -0.00000
     73      11.2719     -0.00000
     74      11.6024      0.00000
     75      12.5236      0.00000
     76      13.0842      0.00000
     77      13.4189      0.00000
     78      13.6718      0.00000
     79      13.9163      0.00000
     80      14.1209      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3868      2.00000
      9      -0.0743      2.00000
     10       0.1057      2.00000
     11       0.1608      2.00000
     12       0.4568      2.00000
     13       0.4963      2.00000
     14       0.5528      2.00000
     15       0.6737      2.00000
     16       0.7833      2.00000
     17       0.9125      2.00000
     18       0.9439      2.00000
     19       1.1137      2.00000
     20       1.1674      2.00000
     21       1.2172      2.00000
     22       1.2418      2.00000
     23       1.3293      2.00000
     24       1.4123      2.00000
     25       1.4443      2.00000
     26       1.4883      2.00000
     27       1.5624      2.00000
     28       1.6223      2.00000
     29       1.6638      2.00000
     30       1.7179      2.00000
     31       1.8290      2.00000
     32       1.9147      2.00000
     33       1.9630      2.00000
     34       2.0347      2.00000
     35       2.1067      2.00000
     36       2.1215      2.00000
     37       2.1995      2.00000
     38       2.3003      2.00000
     39       2.3134      2.00000
     40       2.3568      2.00000
     41       2.4699      2.00000
     42       2.5291      2.00000
     43       2.5560      2.00000
     44       2.6292      2.00000
     45       2.6990      2.00000
     46       2.7403      2.00000
     47       2.8119      2.00000
     48       2.8383      2.00000
     49       2.9520      2.00000
     50       3.0753      2.00000
     51       3.1833      2.00000
     52       3.2853      2.00000
     53       3.3430      2.00000
     54       3.4708      2.00000
     55       3.5900      2.00000
     56       3.7875      2.00000
     57       4.0878      2.00000
     58       4.3000      2.00000
     59       5.4663      2.00063
     60       5.8590      1.98433
     61       6.0239      0.97234
     62       6.3385     -0.04710
     63       6.7328     -0.00001
     64       7.1221     -0.00000
     65       7.6090     -0.00000
     66       8.0709     -0.00000
     67       8.3394     -0.00000
     68       8.9263     -0.00000
     69       9.4388     -0.00000
     70      10.2308     -0.00000
     71      10.4194     -0.00000
     72      10.5689     -0.00000
     73      11.3170     -0.00000
     74      11.8308      0.00000
     75      12.1655      0.00000
     76      12.9341      0.00000
     77      13.0130      0.00000
     78      13.6896      0.00000
     79      14.0128      0.00000
     80      14.6425      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4435      2.00000
      9      -0.1470      2.00000
     10       0.0510      2.00000
     11       0.1367      2.00000
     12       0.4978      2.00000
     13       0.5338      2.00000
     14       0.6331      2.00000
     15       0.7156      2.00000
     16       0.8986      2.00000
     17       0.9230      2.00000
     18       1.0358      2.00000
     19       1.0762      2.00000
     20       1.1390      2.00000
     21       1.1814      2.00000
     22       1.2578      2.00000
     23       1.2979      2.00000
     24       1.3937      2.00000
     25       1.4165      2.00000
     26       1.4586      2.00000
     27       1.5079      2.00000
     28       1.6584      2.00000
     29       1.6994      2.00000
     30       1.7440      2.00000
     31       1.7971      2.00000
     32       1.8744      2.00000
     33       1.9135      2.00000
     34       2.0079      2.00000
     35       2.0798      2.00000
     36       2.1868      2.00000
     37       2.2131      2.00000
     38       2.2837      2.00000
     39       2.3510      2.00000
     40       2.3716      2.00000
     41       2.4493      2.00000
     42       2.5060      2.00000
     43       2.5537      2.00000
     44       2.6552      2.00000
     45       2.6925      2.00000
     46       2.7432      2.00000
     47       2.8097      2.00000
     48       2.8855      2.00000
     49       2.9089      2.00000
     50       3.1112      2.00000
     51       3.1662      2.00000
     52       3.2532      2.00000
     53       3.4783      2.00000
     54       3.5655      2.00000
     55       3.6018      2.00000
     56       3.8971      2.00000
     57       4.3418      2.00000
     58       4.8541      2.00000
     59       5.0028      2.00000
     60       5.2124      2.00000
     61       5.6173      2.01514
     62       5.8141      2.05643
     63       6.7246     -0.00001
     64       7.1851     -0.00000
     65       7.6984     -0.00000
     66       7.8737     -0.00000
     67       8.7045     -0.00000
     68       9.4913     -0.00000
     69       9.9566     -0.00000
     70      10.1368     -0.00000
     71      10.4779     -0.00000
     72      10.5907     -0.00000
     73      11.1504     -0.00000
     74      11.8163      0.00000
     75      12.2379      0.00000
     76      12.7478      0.00000
     77      13.5924      0.00000
     78      14.0657      0.00000
     79      14.3319      0.00000
     80      14.4660      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5936      2.00000
      8      -1.0763      2.00000
      9      -0.3670      2.00000
     10      -0.1157      2.00000
     11       0.2743      2.00000
     12       0.4407      2.00000
     13       0.5135      2.00000
     14       0.5468      2.00000
     15       0.6837      2.00000
     16       0.7852      2.00000
     17       0.8442      2.00000
     18       0.9193      2.00000
     19       0.9517      2.00000
     20       1.0524      2.00000
     21       1.0835      2.00000
     22       1.1720      2.00000
     23       1.2206      2.00000
     24       1.2699      2.00000
     25       1.3223      2.00000
     26       1.4146      2.00000
     27       1.4545      2.00000
     28       1.5511      2.00000
     29       1.6131      2.00000
     30       1.7715      2.00000
     31       1.8202      2.00000
     32       1.8445      2.00000
     33       1.9690      2.00000
     34       1.9994      2.00000
     35       2.0550      2.00000
     36       2.1062      2.00000
     37       2.1365      2.00000
     38       2.2107      2.00000
     39       2.3299      2.00000
     40       2.4307      2.00000
     41       2.4711      2.00000
     42       2.6055      2.00000
     43       2.6494      2.00000
     44       2.6822      2.00000
     45       2.7887      2.00000
     46       2.8210      2.00000
     47       2.8720      2.00000
     48       2.9258      2.00000
     49       2.9780      2.00000
     50       3.0830      2.00000
     51       3.1307      2.00000
     52       3.2398      2.00000
     53       3.3208      2.00000
     54       3.4526      2.00000
     55       3.6259      2.00000
     56       4.0773      2.00000
     57       4.2795      2.00000
     58       5.1833      2.00000
     59       5.7446      2.06495
     60       5.9246      1.71789
     61       6.1181      0.27399
     62       6.5400     -0.00149
     63       6.7804     -0.00000
     64       7.2707     -0.00000
     65       7.6599     -0.00000
     66       8.3417     -0.00000
     67       9.3903     -0.00000
     68       9.5371     -0.00000
     69       9.9902     -0.00000
     70      10.1772     -0.00000
     71      11.3457     -0.00000
     72      11.5034      0.00000
     73      11.7710      0.00000
     74      11.9541      0.00000
     75      12.2751      0.00000
     76      12.7720      0.00000
     77      13.3560      0.00000
     78      13.6861      0.00000
     79      13.8384      0.00000
     80      14.2067      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.5522      2.00000
      9      -0.5536      2.00000
     10      -0.4648      2.00000
     11       0.2123      2.00000
     12       0.2397      2.00000
     13       0.4745      2.00000
     14       0.5277      2.00000
     15       0.5964      2.00000
     16       0.6348      2.00000
     17       0.6735      2.00000
     18       0.7978      2.00000
     19       0.9024      2.00000
     20       0.9476      2.00000
     21       0.9888      2.00000
     22       1.0152      2.00000
     23       1.1215      2.00000
     24       1.1607      2.00000
     25       1.2200      2.00000
     26       1.3866      2.00000
     27       1.4337      2.00000
     28       1.4889      2.00000
     29       1.5987      2.00000
     30       1.6410      2.00000
     31       1.7289      2.00000
     32       1.8710      2.00000
     33       1.8857      2.00000
     34       2.0169      2.00000
     35       2.1092      2.00000
     36       2.2038      2.00000
     37       2.2694      2.00000
     38       2.3459      2.00000
     39       2.3717      2.00000
     40       2.4425      2.00000
     41       2.5856      2.00000
     42       2.6795      2.00000
     43       2.7049      2.00000
     44       2.7366      2.00000
     45       2.8431      2.00000
     46       2.8663      2.00000
     47       2.8941      2.00000
     48       3.0574      2.00000
     49       3.0915      2.00000
     50       3.1662      2.00000
     51       3.2304      2.00000
     52       3.2368      2.00000
     53       3.5339      2.00000
     54       3.6161      2.00000
     55       3.6529      2.00000
     56       3.8485      2.00000
     57       3.9804      2.00000
     58       4.4795      2.00000
     59       5.6810      2.03725
     60       6.3621     -0.03647
     61       6.7062     -0.00001
     62       7.5105     -0.00000
     63       7.9798     -0.00000
     64       8.6879     -0.00000
     65       8.8794     -0.00000
     66       9.2147     -0.00000
     67       9.3745     -0.00000
     68       9.4772     -0.00000
     69       9.7872     -0.00000
     70      10.5225     -0.00000
     71      11.1887     -0.00000
     72      11.5422      0.00000
     73      12.0654      0.00000
     74      12.2477      0.00000
     75      13.0252      0.00000
     76      13.2502      0.00000
     77      13.2937      0.00000
     78      13.8546      0.00000
     79      14.5903      0.00000
     80      14.6675      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6510      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6078      2.00000
      9      -0.8264      2.00000
     10      -0.5710      2.00000
     11       0.0780      2.00000
     12       0.1532      2.00000
     13       0.3654      2.00000
     14       0.3924      2.00000
     15       0.5507      2.00000
     16       0.6424      2.00000
     17       0.7664      2.00000
     18       0.7915      2.00000
     19       0.8726      2.00000
     20       0.8765      2.00000
     21       0.9212      2.00000
     22       1.0166      2.00000
     23       1.0306      2.00000
     24       1.0766      2.00000
     25       1.2548      2.00000
     26       1.3110      2.00000
     27       1.3791      2.00000
     28       1.4764      2.00000
     29       1.6286      2.00000
     30       1.6714      2.00000
     31       1.7617      2.00000
     32       1.8355      2.00000
     33       1.9573      2.00000
     34       2.0157      2.00000
     35       2.1728      2.00000
     36       2.2044      2.00000
     37       2.3299      2.00000
     38       2.4259      2.00000
     39       2.4654      2.00000
     40       2.4720      2.00000
     41       2.5168      2.00000
     42       2.6320      2.00000
     43       2.6413      2.00000
     44       2.6580      2.00000
     45       2.8307      2.00000
     46       2.8401      2.00000
     47       2.9513      2.00000
     48       2.9535      2.00000
     49       2.9824      2.00000
     50       3.1931      2.00000
     51       3.2506      2.00000
     52       3.4609      2.00000
     53       3.5511      2.00000
     54       3.6536      2.00000
     55       3.9629      2.00000
     56       4.0680      2.00000
     57       4.2151      2.00000
     58       4.6044      2.00000
     59       5.8712      1.95073
     60       6.1241      0.24120
     61       6.6559     -0.00007
     62       7.3660     -0.00000
     63       8.0012     -0.00000
     64       8.2598     -0.00000
     65       8.6540     -0.00000
     66       9.1095     -0.00000
     67       9.1638     -0.00000
     68      10.9144     -0.00000
     69      11.4381     -0.00000
     70      11.6356      0.00000
     71      11.9500      0.00000
     72      12.3478      0.00000
     73      12.6253      0.00000
     74      13.1776      0.00000
     75      13.2079      0.00000
     76      13.3593      0.00000
     77      13.4033      0.00000
     78      13.8304      0.00000
     79      13.8498      0.00000
     80      14.0866      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6510      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3515      2.00000
      9      -0.6627      2.00000
     10      -0.5432      2.00000
     11       0.0585      2.00000
     12       0.1907      2.00000
     13       0.4681      2.00000
     14       0.5591      2.00000
     15       0.6263      2.00000
     16       0.6380      2.00000
     17       0.7500      2.00000
     18       0.7944      2.00000
     19       0.9123      2.00000
     20       0.9255      2.00000
     21       0.9544      2.00000
     22       0.9856      2.00000
     23       1.0982      2.00000
     24       1.1261      2.00000
     25       1.1790      2.00000
     26       1.3706      2.00000
     27       1.4308      2.00000
     28       1.6013      2.00000
     29       1.6153      2.00000
     30       1.6807      2.00000
     31       1.7236      2.00000
     32       1.7754      2.00000
     33       1.9360      2.00000
     34       2.0216      2.00000
     35       2.0787      2.00000
     36       2.1911      2.00000
     37       2.2134      2.00000
     38       2.2819      2.00000
     39       2.4585      2.00000
     40       2.4811      2.00000
     41       2.5398      2.00000
     42       2.6400      2.00000
     43       2.6843      2.00000
     44       2.7312      2.00000
     45       2.7503      2.00000
     46       2.8478      2.00000
     47       2.8912      2.00000
     48       2.9878      2.00000
     49       3.0686      2.00000
     50       3.1430      2.00000
     51       3.1592      2.00000
     52       3.3207      2.00000
     53       3.4406      2.00000
     54       3.5224      2.00000
     55       3.7653      2.00000
     56       3.8977      2.00000
     57       5.0269      2.00000
     58       5.1317      2.00000
     59       5.6102      2.01346
     60       6.0419      0.82108
     61       6.8593     -0.00000
     62       7.3584     -0.00000
     63       7.5139     -0.00000
     64       7.6979     -0.00000
     65       8.1186     -0.00000
     66       8.2694     -0.00000
     67       9.9449     -0.00000
     68      10.3765     -0.00000
     69      10.5505     -0.00000
     70      11.0012     -0.00000
     71      11.1609     -0.00000
     72      11.6663      0.00000
     73      12.3284      0.00000
     74      12.4707      0.00000
     75      12.9833      0.00000
     76      13.1688      0.00000
     77      13.6637      0.00000
     78      13.7964      0.00000
     79      14.0936      0.00000
     80      14.3570      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.8936      2.00000
      9      -0.3642      2.00000
     10      -0.0526      2.00000
     11       0.0315      2.00000
     12       0.4735      2.00000
     13       0.5002      2.00000
     14       0.5828      2.00000
     15       0.7023      2.00000
     16       0.7359      2.00000
     17       0.7738      2.00000
     18       0.8317      2.00000
     19       0.8821      2.00000
     20       1.0003      2.00000
     21       1.0295      2.00000
     22       1.1383      2.00000
     23       1.2426      2.00000
     24       1.3387      2.00000
     25       1.3884      2.00000
     26       1.4616      2.00000
     27       1.5154      2.00000
     28       1.5591      2.00000
     29       1.5953      2.00000
     30       1.7516      2.00000
     31       1.8026      2.00000
     32       1.8739      2.00000
     33       1.9121      2.00000
     34       1.9677      2.00000
     35       2.0233      2.00000
     36       2.1305      2.00000
     37       2.1892      2.00000
     38       2.2286      2.00000
     39       2.2580      2.00000
     40       2.3295      2.00000
     41       2.5568      2.00000
     42       2.6113      2.00000
     43       2.6582      2.00000
     44       2.7256      2.00000
     45       2.7353      2.00000
     46       2.8480      2.00000
     47       2.8771      2.00000
     48       2.9170      2.00000
     49       2.9671      2.00000
     50       3.0475      2.00000
     51       3.1375      2.00000
     52       3.2768      2.00000
     53       3.3552      2.00000
     54       3.4162      2.00000
     55       3.5040      2.00000
     56       3.7155      2.00000
     57       4.6974      2.00000
     58       5.3858      2.00007
     59       5.6368      2.02056
     60       5.8427      2.01914
     61       6.6925     -0.00002
     62       6.9440     -0.00000
     63       7.1052     -0.00000
     64       7.2417     -0.00000
     65       8.4941     -0.00000
     66       8.5926     -0.00000
     67       8.7135     -0.00000
     68       8.9028     -0.00000
     69       9.2513     -0.00000
     70       9.6724     -0.00000
     71      10.8966     -0.00000
     72      11.0766     -0.00000
     73      11.2655     -0.00000
     74      11.7947      0.00000
     75      12.7530      0.00000
     76      13.0090      0.00000
     77      13.5263      0.00000
     78      13.7721      0.00000
     79      14.0003      0.00000
     80      14.4077      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3636      2.00000
      9      -0.1205      2.00000
     10       0.1032      2.00000
     11       0.1777      2.00000
     12       0.4650      2.00000
     13       0.5319      2.00000
     14       0.5902      2.00000
     15       0.6400      2.00000
     16       0.7470      2.00000
     17       0.9052      2.00000
     18       0.9507      2.00000
     19       1.0652      2.00000
     20       1.1545      2.00000
     21       1.1924      2.00000
     22       1.2465      2.00000
     23       1.3192      2.00000
     24       1.3964      2.00000
     25       1.4858      2.00000
     26       1.5110      2.00000
     27       1.5421      2.00000
     28       1.6265      2.00000
     29       1.7199      2.00000
     30       1.7407      2.00000
     31       1.8385      2.00000
     32       1.9083      2.00000
     33       1.9707      2.00000
     34       2.0418      2.00000
     35       2.1141      2.00000
     36       2.1754      2.00000
     37       2.2567      2.00000
     38       2.3071      2.00000
     39       2.3198      2.00000
     40       2.3840      2.00000
     41       2.4339      2.00000
     42       2.5209      2.00000
     43       2.5637      2.00000
     44       2.5837      2.00000
     45       2.6389      2.00000
     46       2.7058      2.00000
     47       2.7622      2.00000
     48       2.8052      2.00000
     49       2.9580      2.00000
     50       3.0476      2.00000
     51       3.1423      2.00000
     52       3.1825      2.00000
     53       3.3353      2.00000
     54       3.5360      2.00000
     55       3.6019      2.00000
     56       3.9570      2.00000
     57       4.1927      2.00000
     58       4.4158      2.00000
     59       5.2748      2.00000
     60       5.8333      2.03450
     61       5.9580      1.50274
     62       6.2650     -0.07091
     63       6.4695     -0.00672
     64       6.9993     -0.00000
     65       7.8692     -0.00000
     66       8.0339     -0.00000
     67       8.8232     -0.00000
     68       9.1436     -0.00000
     69       9.7264     -0.00000
     70       9.8586     -0.00000
     71      10.3742     -0.00000
     72      10.5822     -0.00000
     73      10.9648     -0.00000
     74      11.8552      0.00000
     75      12.4570      0.00000
     76      12.6252      0.00000
     77      13.3309      0.00000
     78      13.7271      0.00000
     79      14.3676      0.00000
     80      14.4589      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4358      2.00000
      9      -0.1373      2.00000
     10      -0.0136      2.00000
     11       0.1342      2.00000
     12       0.5493      2.00000
     13       0.5923      2.00000
     14       0.6485      2.00000
     15       0.7803      2.00000
     16       0.8053      2.00000
     17       0.9269      2.00000
     18       0.9683      2.00000
     19       1.0485      2.00000
     20       1.1108      2.00000
     21       1.1509      2.00000
     22       1.2440      2.00000
     23       1.3421      2.00000
     24       1.3881      2.00000
     25       1.4082      2.00000
     26       1.4927      2.00000
     27       1.5882      2.00000
     28       1.6709      2.00000
     29       1.7209      2.00000
     30       1.7695      2.00000
     31       1.8236      2.00000
     32       1.8885      2.00000
     33       1.9016      2.00000
     34       2.0057      2.00000
     35       2.1286      2.00000
     36       2.1834      2.00000
     37       2.2224      2.00000
     38       2.2473      2.00000
     39       2.3073      2.00000
     40       2.3966      2.00000
     41       2.4543      2.00000
     42       2.4920      2.00000
     43       2.5538      2.00000
     44       2.6228      2.00000
     45       2.6455      2.00000
     46       2.7282      2.00000
     47       2.7746      2.00000
     48       2.8258      2.00000
     49       2.8790      2.00000
     50       3.1361      2.00000
     51       3.1457      2.00000
     52       3.3461      2.00000
     53       3.4735      2.00000
     54       3.5783      2.00000
     55       3.6088      2.00000
     56       3.7768      2.00000
     57       4.3639      2.00000
     58       4.5614      2.00000
     59       5.1247      2.00000
     60       5.6200      2.01582
     61       5.7633      2.06983
     62       6.4054     -0.02029
     63       6.4982     -0.00377
     64       6.8356     -0.00000
     65       7.0005     -0.00000
     66       7.3812     -0.00000
     67       9.1098     -0.00000
     68       9.3519     -0.00000
     69      10.2452     -0.00000
     70      10.5605     -0.00000
     71      10.9183     -0.00000
     72      11.4128     -0.00000
     73      11.5632      0.00000
     74      11.8368      0.00000
     75      12.1792      0.00000
     76      12.6696      0.00000
     77      12.9365      0.00000
     78      13.0964      0.00000
     79      13.9125      0.00000
     80      14.2320      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.1044      2.00000
      9      -0.3074      2.00000
     10      -0.1684      2.00000
     11       0.2371      2.00000
     12       0.4839      2.00000
     13       0.5515      2.00000
     14       0.5796      2.00000
     15       0.6576      2.00000
     16       0.7749      2.00000
     17       0.8587      2.00000
     18       0.9317      2.00000
     19       1.0209      2.00000
     20       1.0935      2.00000
     21       1.1233      2.00000
     22       1.1674      2.00000
     23       1.1935      2.00000
     24       1.2209      2.00000
     25       1.2544      2.00000
     26       1.3574      2.00000
     27       1.4857      2.00000
     28       1.5509      2.00000
     29       1.6414      2.00000
     30       1.6878      2.00000
     31       1.7906      2.00000
     32       1.8414      2.00000
     33       1.9705      2.00000
     34       2.0402      2.00000
     35       2.1033      2.00000
     36       2.1646      2.00000
     37       2.2214      2.00000
     38       2.2438      2.00000
     39       2.3079      2.00000
     40       2.3408      2.00000
     41       2.5277      2.00000
     42       2.6201      2.00000
     43       2.6461      2.00000
     44       2.7210      2.00000
     45       2.7345      2.00000
     46       2.7797      2.00000
     47       2.8216      2.00000
     48       2.9432      2.00000
     49       2.9981      2.00000
     50       3.0670      2.00000
     51       3.1403      2.00000
     52       3.2062      2.00000
     53       3.4278      2.00000
     54       3.4671      2.00000
     55       3.5672      2.00000
     56       3.7191      2.00000
     57       4.5308      2.00000
     58       4.7872      2.00000
     59       5.4114      2.00014
     60       5.9622      1.47228
     61       6.4810     -0.00536
     62       6.8122     -0.00000
     63       7.0926     -0.00000
     64       7.3901     -0.00000
     65       8.0529     -0.00000
     66       8.6719     -0.00000
     67       8.7540     -0.00000
     68       9.3424     -0.00000
     69       9.8346     -0.00000
     70       9.9264     -0.00000
     71      10.6667     -0.00000
     72      11.1712     -0.00000
     73      11.8845      0.00000
     74      12.1964      0.00000
     75      12.6591      0.00000
     76      13.2338      0.00000
     77      13.9585      0.00000
     78      14.0484      0.00000
     79      14.3643      0.00000
     80      14.4129      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.5441      2.00000
      9      -0.6243      2.00000
     10      -0.3818      2.00000
     11       0.1938      2.00000
     12       0.2355      2.00000
     13       0.4379      2.00000
     14       0.5290      2.00000
     15       0.5871      2.00000
     16       0.6343      2.00000
     17       0.6926      2.00000
     18       0.8086      2.00000
     19       0.9162      2.00000
     20       0.9452      2.00000
     21       0.9841      2.00000
     22       1.0475      2.00000
     23       1.1329      2.00000
     24       1.1618      2.00000
     25       1.2510      2.00000
     26       1.2731      2.00000
     27       1.3840      2.00000
     28       1.5946      2.00000
     29       1.6449      2.00000
     30       1.7105      2.00000
     31       1.7610      2.00000
     32       1.8209      2.00000
     33       1.8682      2.00000
     34       1.9925      2.00000
     35       2.0330      2.00000
     36       2.1221      2.00000
     37       2.3078      2.00000
     38       2.3473      2.00000
     39       2.4482      2.00000
     40       2.5148      2.00000
     41       2.5265      2.00000
     42       2.6081      2.00000
     43       2.6748      2.00000
     44       2.7023      2.00000
     45       2.7945      2.00000
     46       2.8456      2.00000
     47       2.9051      2.00000
     48       3.0506      2.00000
     49       3.0945      2.00000
     50       3.2140      2.00000
     51       3.2293      2.00000
     52       3.3007      2.00000
     53       3.4039      2.00000
     54       3.5897      2.00000
     55       3.7947      2.00000
     56       3.8183      2.00000
     57       3.9757      2.00000
     58       4.7561      2.00000
     59       5.6616      2.02924
     60       6.5557     -0.00102
     61       6.8543     -0.00000
     62       7.4503     -0.00000
     63       7.8270     -0.00000
     64       7.8878     -0.00000
     65       8.4230     -0.00000
     66       9.0500     -0.00000
     67       9.2284     -0.00000
     68       9.9842     -0.00000
     69      10.4756     -0.00000
     70      10.7302     -0.00000
     71      11.1340     -0.00000
     72      11.4751     -0.00000
     73      12.1370      0.00000
     74      12.6641      0.00000
     75      13.0049      0.00000
     76      13.3613      0.00000
     77      13.5054      0.00000
     78      13.9048      0.00000
     79      14.3229      0.00000
     80      14.5390      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6016      2.00000
      9      -0.7826      2.00000
     10      -0.6557      2.00000
     11       0.0707      2.00000
     12       0.1971      2.00000
     13       0.3628      2.00000
     14       0.3889      2.00000
     15       0.5682      2.00000
     16       0.6156      2.00000
     17       0.7288      2.00000
     18       0.7892      2.00000
     19       0.8492      2.00000
     20       0.9109      2.00000
     21       0.9269      2.00000
     22       1.0666      2.00000
     23       1.1162      2.00000
     24       1.1530      2.00000
     25       1.2448      2.00000
     26       1.2608      2.00000
     27       1.2711      2.00000
     28       1.4720      2.00000
     29       1.6032      2.00000
     30       1.6188      2.00000
     31       1.7499      2.00000
     32       1.7907      2.00000
     33       1.9144      2.00000
     34       2.1264      2.00000
     35       2.1606      2.00000
     36       2.3457      2.00000
     37       2.3607      2.00000
     38       2.3931      2.00000
     39       2.4393      2.00000
     40       2.4713      2.00000
     41       2.5385      2.00000
     42       2.6348      2.00000
     43       2.6693      2.00000
     44       2.7303      2.00000
     45       2.8002      2.00000
     46       2.8507      2.00000
     47       2.8976      2.00000
     48       2.9448      2.00000
     49       3.0419      2.00000
     50       3.1755      2.00000
     51       3.2255      2.00000
     52       3.4003      2.00000
     53       3.5920      2.00000
     54       3.6418      2.00000
     55       3.9531      2.00000
     56       4.0635      2.00000
     57       4.2356      2.00000
     58       4.4610      2.00000
     59       5.6820      2.03770
     60       6.2440     -0.06675
     61       6.6967     -0.00002
     62       7.5188     -0.00000
     63       7.8831     -0.00000
     64       8.1463     -0.00000
     65       8.8095     -0.00000
     66       9.3758     -0.00000
     67       9.5924     -0.00000
     68      10.7369     -0.00000
     69      10.9031     -0.00000
     70      11.4761     -0.00000
     71      11.9817      0.00000
     72      12.0764      0.00000
     73      12.5118      0.00000
     74      12.8962      0.00000
     75      13.0082      0.00000
     76      13.2849      0.00000
     77      13.4374      0.00000
     78      13.8965      0.00000
     79      14.0599      0.00000
     80      14.3419      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3837      2.00000
      9      -0.7304      2.00000
     10      -0.4715      2.00000
     11       0.1236      2.00000
     12       0.1912      2.00000
     13       0.4812      2.00000
     14       0.5509      2.00000
     15       0.6339      2.00000
     16       0.6402      2.00000
     17       0.7517      2.00000
     18       0.7713      2.00000
     19       0.9307      2.00000
     20       0.9358      2.00000
     21       0.9541      2.00000
     22       0.9848      2.00000
     23       1.1205      2.00000
     24       1.1628      2.00000
     25       1.1839      2.00000
     26       1.3698      2.00000
     27       1.3815      2.00000
     28       1.5173      2.00000
     29       1.6192      2.00000
     30       1.6336      2.00000
     31       1.7961      2.00000
     32       1.8447      2.00000
     33       1.9621      2.00000
     34       1.9900      2.00000
     35       2.1650      2.00000
     36       2.2060      2.00000
     37       2.2241      2.00000
     38       2.2583      2.00000
     39       2.3080      2.00000
     40       2.5372      2.00000
     41       2.5765      2.00000
     42       2.6271      2.00000
     43       2.6985      2.00000
     44       2.7442      2.00000
     45       2.8164      2.00000
     46       2.8995      2.00000
     47       2.9591      2.00000
     48       3.0073      2.00000
     49       3.1160      2.00000
     50       3.1579      2.00000
     51       3.1957      2.00000
     52       3.3144      2.00000
     53       3.4044      2.00000
     54       3.5584      2.00000
     55       3.7447      2.00000
     56       3.9031      2.00000
     57       4.0364      2.00000
     58       4.2881      2.00000
     59       6.2353     -0.06228
     60       6.6650     -0.00005
     61       7.1204     -0.00000
     62       7.3141     -0.00000
     63       8.0080     -0.00000
     64       8.2358     -0.00000
     65       8.3881     -0.00000
     66       8.7934     -0.00000
     67       9.5583     -0.00000
     68       9.8285     -0.00000
     69      10.1342     -0.00000
     70      10.3441     -0.00000
     71      10.8625     -0.00000
     72      11.3397     -0.00000
     73      12.0584      0.00000
     74      12.2059      0.00000
     75      12.6367      0.00000
     76      13.1406      0.00000
     77      13.5505      0.00000
     78      13.7449      0.00000
     79      14.3212      0.00000
     80      14.6219      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.9082      2.00000
      9      -0.4523      2.00000
     10       0.0474      2.00000
     11       0.0963      2.00000
     12       0.3997      2.00000
     13       0.5012      2.00000
     14       0.6498      2.00000
     15       0.6742      2.00000
     16       0.7405      2.00000
     17       0.7812      2.00000
     18       0.8209      2.00000
     19       0.9090      2.00000
     20       1.0210      2.00000
     21       1.0477      2.00000
     22       1.1242      2.00000
     23       1.2317      2.00000
     24       1.2723      2.00000
     25       1.2989      2.00000
     26       1.3787      2.00000
     27       1.4645      2.00000
     28       1.6750      2.00000
     29       1.7006      2.00000
     30       1.7872      2.00000
     31       1.8239      2.00000
     32       1.8571      2.00000
     33       1.9115      2.00000
     34       1.9733      2.00000
     35       2.0022      2.00000
     36       2.0302      2.00000
     37       2.2408      2.00000
     38       2.2971      2.00000
     39       2.3489      2.00000
     40       2.4838      2.00000
     41       2.5215      2.00000
     42       2.5741      2.00000
     43       2.6888      2.00000
     44       2.7108      2.00000
     45       2.7438      2.00000
     46       2.7623      2.00000
     47       2.8572      2.00000
     48       2.8828      2.00000
     49       2.9149      2.00000
     50       3.0745      2.00000
     51       3.1677      2.00000
     52       3.3320      2.00000
     53       3.3484      2.00000
     54       3.5887      2.00000
     55       3.7534      2.00000
     56       3.8247      2.00000
     57       4.0235      2.00000
     58       4.6273      2.00000
     59       4.8228      2.00000
     60       6.5766     -0.00061
     61       7.0552     -0.00000
     62       7.5091     -0.00000
     63       7.6258     -0.00000
     64       7.8466     -0.00000
     65       8.0338     -0.00000
     66       8.6856     -0.00000
     67       8.9121     -0.00000
     68       9.1897     -0.00000
     69       9.5767     -0.00000
     70       9.6015     -0.00000
     71       9.8052     -0.00000
     72      10.0923     -0.00000
     73      11.4979      0.00000
     74      11.8050      0.00000
     75      11.8837      0.00000
     76      13.0003      0.00000
     77      13.3947      0.00000
     78      13.9873      0.00000
     79      14.2182      0.00000
     80      14.5780      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3594      2.00000
      9      -0.1211      2.00000
     10       0.1084      2.00000
     11       0.1574      2.00000
     12       0.4176      2.00000
     13       0.5393      2.00000
     14       0.6104      2.00000
     15       0.6935      2.00000
     16       0.7715      2.00000
     17       0.8962      2.00000
     18       0.9382      2.00000
     19       1.0662      2.00000
     20       1.1206      2.00000
     21       1.1832      2.00000
     22       1.2152      2.00000
     23       1.3423      2.00000
     24       1.3959      2.00000
     25       1.4484      2.00000
     26       1.5079      2.00000
     27       1.6587      2.00000
     28       1.7024      2.00000
     29       1.7205      2.00000
     30       1.7396      2.00000
     31       1.8354      2.00000
     32       1.8748      2.00000
     33       1.9343      2.00000
     34       2.0099      2.00000
     35       2.1245      2.00000
     36       2.1633      2.00000
     37       2.2548      2.00000
     38       2.2797      2.00000
     39       2.3471      2.00000
     40       2.3974      2.00000
     41       2.4371      2.00000
     42       2.5298      2.00000
     43       2.5729      2.00000
     44       2.5952      2.00000
     45       2.6428      2.00000
     46       2.6814      2.00000
     47       2.7288      2.00000
     48       2.7938      2.00000
     49       2.8770      2.00000
     50       3.0776      2.00000
     51       3.1264      2.00000
     52       3.1794      2.00000
     53       3.2260      2.00000
     54       3.4897      2.00000
     55       3.6003      2.00000
     56       3.9603      2.00000
     57       4.6230      2.00000
     58       4.7023      2.00000
     59       5.1238      2.00000
     60       5.6467      2.02379
     61       5.7757      2.07092
     62       6.0900      0.45031
     63       6.3862     -0.02676
     64       6.9258     -0.00000
     65       7.6625     -0.00000
     66       8.4607     -0.00000
     67       9.0032     -0.00000
     68       9.3644     -0.00000
     69       9.4744     -0.00000
     70       9.8202     -0.00000
     71      10.6721     -0.00000
     72      11.0248     -0.00000
     73      11.3741     -0.00000
     74      11.7122      0.00000
     75      12.0812      0.00000
     76      12.4104      0.00000
     77      12.7630      0.00000
     78      13.6237      0.00000
     79      13.9723      0.00000
     80      14.1684      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4242      2.00000
      9      -0.1861      2.00000
     10       0.0427      2.00000
     11       0.1418      2.00000
     12       0.5306      2.00000
     13       0.5873      2.00000
     14       0.6803      2.00000
     15       0.7393      2.00000
     16       0.7972      2.00000
     17       0.8789      2.00000
     18       0.9546      2.00000
     19       1.0910      2.00000
     20       1.1097      2.00000
     21       1.2013      2.00000
     22       1.2747      2.00000
     23       1.2957      2.00000
     24       1.3657      2.00000
     25       1.4142      2.00000
     26       1.4673      2.00000
     27       1.5531      2.00000
     28       1.6680      2.00000
     29       1.7431      2.00000
     30       1.7737      2.00000
     31       1.8321      2.00000
     32       1.8500      2.00000
     33       1.9611      2.00000
     34       2.0600      2.00000
     35       2.0950      2.00000
     36       2.1329      2.00000
     37       2.2439      2.00000
     38       2.2805      2.00000
     39       2.2884      2.00000
     40       2.4381      2.00000
     41       2.4771      2.00000
     42       2.4782      2.00000
     43       2.5553      2.00000
     44       2.6258      2.00000
     45       2.6515      2.00000
     46       2.7058      2.00000
     47       2.7898      2.00000
     48       2.8057      2.00000
     49       2.8826      2.00000
     50       3.0927      2.00000
     51       3.1676      2.00000
     52       3.2523      2.00000
     53       3.4847      2.00000
     54       3.5636      2.00000
     55       3.6555      2.00000
     56       4.0614      2.00000
     57       4.5118      2.00000
     58       4.5632      2.00000
     59       4.8252      2.00000
     60       5.1728      2.00000
     61       5.6583      2.02798
     62       6.1393      0.16589
     63       6.4075     -0.01967
     64       7.5643     -0.00000
     65       7.7406     -0.00000
     66       8.0318     -0.00000
     67       8.4179     -0.00000
     68       8.9585     -0.00000
     69       9.6282     -0.00000
     70      10.2660     -0.00000
     71      10.4003     -0.00000
     72      11.2736     -0.00000
     73      11.6946      0.00000
     74      12.2944      0.00000
     75      12.4776      0.00000
     76      12.6309      0.00000
     77      13.3643      0.00000
     78      13.6139      0.00000
     79      14.1763      0.00000
     80      14.3180      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6510      2.00000
      6     -39.6029      2.00000
      7     -39.5936      2.00000
      8      -1.0434      2.00000
      9      -0.4631      2.00000
     10      -0.0781      2.00000
     11       0.3288      2.00000
     12       0.4468      2.00000
     13       0.5170      2.00000
     14       0.5680      2.00000
     15       0.6470      2.00000
     16       0.7502      2.00000
     17       0.8193      2.00000
     18       0.9223      2.00000
     19       0.9925      2.00000
     20       1.0238      2.00000
     21       1.0958      2.00000
     22       1.1853      2.00000
     23       1.2096      2.00000
     24       1.3191      2.00000
     25       1.3395      2.00000
     26       1.3601      2.00000
     27       1.4410      2.00000
     28       1.5057      2.00000
     29       1.6030      2.00000
     30       1.7685      2.00000
     31       1.8428      2.00000
     32       1.8637      2.00000
     33       1.9318      2.00000
     34       1.9885      2.00000
     35       2.0436      2.00000
     36       2.1226      2.00000
     37       2.1951      2.00000
     38       2.2583      2.00000
     39       2.3301      2.00000
     40       2.4501      2.00000
     41       2.4941      2.00000
     42       2.5106      2.00000
     43       2.6518      2.00000
     44       2.6827      2.00000
     45       2.7634      2.00000
     46       2.8029      2.00000
     47       2.8519      2.00000
     48       2.9292      2.00000
     49       3.0239      2.00000
     50       3.0831      2.00000
     51       3.1509      2.00000
     52       3.2233      2.00000
     53       3.3272      2.00000
     54       3.4877      2.00000
     55       3.6515      2.00000
     56       3.8504      2.00000
     57       4.7595      2.00000
     58       5.2126      2.00000
     59       5.3404      2.00002
     60       5.6002      2.01132
     61       6.3436     -0.04478
     62       6.5450     -0.00132
     63       7.2887     -0.00000
     64       7.3957     -0.00000
     65       7.6618     -0.00000
     66       8.0619     -0.00000
     67       8.8576     -0.00000
     68       9.6518     -0.00000
     69       9.9780     -0.00000
     70      10.4983     -0.00000
     71      10.6849     -0.00000
     72      11.0136     -0.00000
     73      11.3076     -0.00000
     74      12.4722      0.00000
     75      13.0301      0.00000
     76      13.3044      0.00000
     77      13.6002      0.00000
     78      14.1325      0.00000
     79      14.2315      0.00000
     80      14.8647      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.4818      2.00000
      9      -0.7347      2.00000
     10      -0.3580      2.00000
     11       0.1656      2.00000
     12       0.2231      2.00000
     13       0.4652      2.00000
     14       0.5353      2.00000
     15       0.6097      2.00000
     16       0.6353      2.00000
     17       0.6646      2.00000
     18       0.8242      2.00000
     19       0.8800      2.00000
     20       0.9371      2.00000
     21       0.9787      2.00000
     22       0.9969      2.00000
     23       1.1448      2.00000
     24       1.1831      2.00000
     25       1.2479      2.00000
     26       1.3216      2.00000
     27       1.4364      2.00000
     28       1.5506      2.00000
     29       1.5965      2.00000
     30       1.6169      2.00000
     31       1.6909      2.00000
     32       1.8968      2.00000
     33       1.9637      2.00000
     34       2.0205      2.00000
     35       2.0955      2.00000
     36       2.1923      2.00000
     37       2.2597      2.00000
     38       2.3333      2.00000
     39       2.3560      2.00000
     40       2.4541      2.00000
     41       2.4747      2.00000
     42       2.6337      2.00000
     43       2.6750      2.00000
     44       2.7546      2.00000
     45       2.7793      2.00000
     46       2.8303      2.00000
     47       2.9671      2.00000
     48       2.9874      2.00000
     49       3.1183      2.00000
     50       3.1502      2.00000
     51       3.1996      2.00000
     52       3.3084      2.00000
     53       3.3820      2.00000
     54       3.6128      2.00000
     55       3.7776      2.00000
     56       3.8349      2.00000
     57       4.6238      2.00000
     58       5.1327      2.00000
     59       5.6762      2.03519
     60       6.1425      0.15195
     61       6.4446     -0.01066
     62       6.9248     -0.00000
     63       7.2616     -0.00000
     64       7.9398     -0.00000
     65       8.8975     -0.00000
     66       8.9923     -0.00000
     67       9.2242     -0.00000
     68       9.9847     -0.00000
     69      10.0548     -0.00000
     70      11.7039      0.00000
     71      11.9099      0.00000
     72      12.1238      0.00000
     73      12.2398      0.00000
     74      12.4632      0.00000
     75      12.8854      0.00000
     76      13.2900      0.00000
     77      13.5708      0.00000
     78      13.8171      0.00000
     79      13.9590      0.00000
     80      14.4617      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.164  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.167  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.364  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.011   0.029   0.010   0.007  -1.169  -0.015  -0.024  -0.040  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.071  -0.270   0.020  -0.183  -0.015  -1.058   0.224  -0.011   0.146  -0.068   0.012  -0.002   0.171   0.008   0.000
  0.029  -0.270   2.653   0.008  -0.312  -0.024   0.224  -0.697  -0.018   0.230   0.084  -0.036  -0.111  -0.021  -0.004   0.006
  0.010   0.020   0.008   2.942   0.016  -0.040  -0.011  -0.018  -1.106  -0.007  -0.020   0.004   0.011   0.004  -0.021  -0.000
  0.007  -0.183  -0.312   0.016   3.077  -0.014   0.146   0.230  -0.007  -1.015  -0.141   0.068   0.046  -0.008   0.019   0.008
 -1.169  -0.015  -0.024  -0.040  -0.014   1.222   0.018   0.020   0.066   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.015  -1.058   0.224  -0.011   0.146   0.018   0.978  -0.181   0.003  -0.109   0.062  -0.015  -0.006  -0.137  -0.007   0.000
 -0.024   0.224  -0.697  -0.018   0.230   0.020  -0.181   0.678   0.026  -0.160  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.040  -0.011  -0.018  -1.106  -0.007   0.066   0.003   0.026   1.167   0.001   0.020  -0.006  -0.009  -0.002   0.013   0.000
 -0.014   0.146   0.230  -0.007  -1.015   0.018  -0.109  -0.160   0.001   0.907   0.132  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.062  -0.091   0.020   0.132   2.092  -0.311  -0.041   0.003   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.005   0.002  -0.002
 -0.012  -0.002  -0.111   0.011   0.046   0.011  -0.006   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.137   0.025  -0.002   0.009   0.003  -0.005   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.019  -0.289  -0.007   0.002   0.013  -0.015   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.66: real time    1.67
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.59: real time    6.61
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   18.07: real time   18.12
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.85: real time   19.91

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.6184032E-01  (-0.1396195E-01)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0091096 magnetization 

 Broyden mixing:
  rms(total) = 0.17348E+00    rms(broyden)= 0.17348E+00
  rms(prec ) = 0.18301E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3760
  2.3627  0.8826  0.8826

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1867.30223028
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.75069995
  PAW double counting   =      9407.83213473    -9333.22067321
  entropy T*S    EENTRO =         0.00314258
  eigenvalues    EBANDS =      -334.01030205
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.88020482 eV

  energy without entropy =      -49.88334741  energy(sigma->0) =      -49.88125235
   -3.907591359  8.750660654  0.921603082     0.002720661  0.115223284  0.002551391
    -2.321272661 -0.103592296  7.153602594    -0.005197438 -0.016839991  0.137859327

  length of vectors
     4.103985508  9.627704002  7.521507044     0.275392252  0.115283637  0.138981267


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.361E+01 -.157E+03 0.271E+02   0.377E+01 0.160E+03 -.274E+02   -.165E+00 -.283E+01 0.277E+00   0.219E-04 0.178E-03 -.145E-03
   0.362E+01 0.157E+03 -.271E+02   -.379E+01 -.160E+03 0.274E+02   0.164E+00 0.283E+01 -.277E+00   -.213E-04 -.180E-03 0.142E-03
   0.290E+01 0.144E+03 0.662E+01   -.300E+01 -.146E+03 -.644E+01   0.105E+00 0.129E+01 -.162E+00   -.186E-04 -.178E-03 0.186E-04
   -.382E-01 -.669E+02 -.417E+02   0.463E-01 0.666E+02 0.426E+02   -.753E-02 0.340E+00 -.833E+00   -.394E-04 0.925E-04 0.209E-03
   0.612E+01 0.969E+02 -.968E+02   -.619E+01 -.981E+02 0.982E+02   0.699E-01 0.126E+01 -.139E+01   0.642E-04 -.237E-03 0.714E-04
   0.108E-01 -.182E-01 0.730E-02   -.109E-01 0.181E-01 -.693E-02   -.100E-03 0.293E-03 -.615E-03   0.398E-05 0.652E-06 -.249E-05
   -.614E+01 -.969E+02 0.967E+02   0.621E+01 0.981E+02 -.981E+02   -.688E-01 -.126E+01 0.139E+01   -.593E-04 0.233E-03 -.692E-04
   -.290E+01 -.144E+03 -.659E+01   0.301E+01 0.146E+03 0.641E+01   -.106E+00 -.129E+01 0.162E+00   0.250E-04 0.181E-03 -.289E-04
   0.678E-01 0.669E+02 0.417E+02   -.756E-01 -.665E+02 -.426E+02   0.633E-02 -.337E+00 0.834E+00   0.394E-04 -.908E-04 -.204E-03
   0.613E-03 0.266E-01 -.102E-01   -.619E-03 -.265E-01 0.981E-02   0.206E-03 -.515E-03 0.475E-03   -.191E-06 -.150E-05 0.295E-06
   0.889E+00 0.973E+01 -.280E+02   -.895E+00 -.954E+01 0.279E+02   0.687E-02 -.191E+00 0.103E+00   -.414E-05 0.330E-04 -.175E-04
   -.903E+00 -.972E+01 0.280E+02   0.909E+00 0.953E+01 -.279E+02   -.647E-02 0.191E+00 -.103E+00   0.247E-05 -.306E-04 0.182E-04
   0.794E+00 -.871E+01 -.208E+02   -.751E+00 0.875E+01 0.205E+02   -.430E-01 -.505E-01 0.277E+00   -.548E-06 0.110E-04 -.388E-05
   -.164E+01 -.619E+02 0.405E+01   0.164E+01 0.619E+02 -.431E+01   0.422E-02 0.733E-01 0.255E+00   -.331E-05 0.551E-04 0.285E-04
   -.807E+00 0.876E+01 0.208E+02   0.765E+00 -.880E+01 -.205E+02   0.437E-01 0.495E-01 -.277E+00   -.145E-05 -.962E-05 0.562E-05
   0.165E+01 0.619E+02 -.404E+01   -.164E+01 -.619E+02 0.430E+01   -.436E-02 -.736E-01 -.255E+00   0.312E-05 -.584E-04 -.280E-04
 -----------------------------------------------------------------------------------------------
   -.241E-03 -.244E-03 0.411E-05   -.289E-14 -.284E-13 -.213E-13   0.209E-03 0.112E-02 0.448E-04   0.117E-04 -.140E-05 -.582E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06812      6.36373      7.89477         0.000923     -0.008748     -0.014573
     -2.90743      8.14770      4.53324        -0.001190      0.008758      0.014662
     -1.04445      1.16077      4.61952         0.003482      0.006984      0.012968
     -2.90027      5.23967      2.40849         0.000541     -0.002671     -0.000076
      1.19290      1.83244      0.30904         0.001549     -0.001897      0.006545
     -3.08416      2.93032      5.68210        -0.000215      0.000102     -0.000250
     -0.93977      4.03182      4.04374        -0.000945      0.001855     -0.006207
     -1.02357      4.60000      6.88680        -0.003454     -0.006800     -0.013140
      3.15355      0.62427      1.94416        -0.001360      0.003618      0.000271
     -5.03792      7.30586      6.14278         0.000201     -0.000498      0.000118
     -0.84751      3.63579      1.26358         0.000912     -0.002001     -0.001076
      1.10049      2.22855      3.08925        -0.000803      0.001998      0.000928
     -0.84712      6.70294      3.45829        -0.000880     -0.005963      0.003483
     -2.99374      5.52846      5.14781        -0.000746      0.005946     -0.004639
     -2.80741      7.91213      1.81616         0.001326      0.005598     -0.003688
      0.92569      0.23233      6.35854         0.000659     -0.006283      0.004673
 -----------------------------------------------------------------------------------
    total drift:                               -0.000021      0.000877      0.000043


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87741384 eV

  energy  without entropy=      -49.88259824  energy(sigma->0) =      -49.87914197
 
 d Force = 0.1140802E-03[ 0.689E-04, 0.159E-03]  d Energy = 0.3040123E-03-0.190E-03
 d Force =-0.1295256E+01[-0.130E+01,-0.129E+01]  d Ewald  =-0.5332013E+01 0.404E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.74
     LOOP+:  cpu time  163.30: real time  164.18


----------------------------------------- Iteration    9(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.56: real time   15.63
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.29: real time   17.38

 eigenvalue-minimisa    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time   18.66: real time   18.78
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.43: real time   20.98

 eigenvalue-minimisations  :  8512
 total energy-change (2. order) : 0.8161324E-02  (-0.1866063E-02)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0296064 magnetization 

 Broyden mixing:
  rms(total) = 0.21507E-01    rms(broyden)= 0.21506E-01
  rms(prec ) = 0.26818E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3321
  2.4712  0.9971  0.9971  0.8629

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1862.82011174
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.52754078
  PAW double counting   =      9503.46629486    -9431.10263808
  entropy T*S    EENTRO =         0.00310525
  eigenvalues    EBANDS =      -336.01325802
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87204350 eV

  energy without entropy =      -49.87514875  energy(sigma->0) =      -49.87307858
----------------------
      LOOP:  cpu time   19.52: real time   19.65

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.7804220E-04  (-0.8517246E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0528815 magnetization 

 Broyden mixing:
  rms(total) = 0.32663E-02    rms(broyden)= 0.32662E-02
  rms(prec ) = 0.38906E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8292
  0.8292

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.29331128
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45724736
  PAW double counting   =      9486.45058379    -9414.40184123
  entropy T*S    EENTRO =         0.00512246
  eigenvalues    EBANDS =      -338.67935495
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87753193 eV

  energy without entropy =      -49.88265438  energy(sigma->0) =      -49.87923941


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   3)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.94: real time   20.08
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.67: real time   21.82

 eigenvalue-minimisations  :  9344
 total energy-change (2. order) : 0.1014567E-04  (-0.4109790E-05)
 number of electr    CHARGE:  cpu time    1.75: real time    1.76
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.86: real time   20.84

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.2132651E-03  (-0.3238780E-03)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0493947 magnetization 

 Broyden mixing:
  rms(total) = 0.10442E-01    rms(broyden)= 0.10442E-01
  rms(prec ) = 0.11164E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5051
  2.7066  2.0582  0.9753  0.9753  0.8104

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.59498699
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47944784
  PAW double counting   =      9502.53414549    -9430.46224536
  entropy T*S    EENTRO =         0.00304358
  eigenvalues    EBANDS =      -336.89825825
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87183024 eV

  energy without entropy =      -49.87487382  energy(sigma-     EDDAV:  cpu time   17.80: real time   17.87
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.52: real time   19.61

 eigenvalue-minimisations  :  8032
 total en     EDDAV:  cpu time   19.53: real time   19.63
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.31: real time   21.42

 eigenvalue-minimisations  :  9104
 total energy-change (2. order) :-0.7077894E-04  (-0.3237678E-04)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0497528 magnetization 

 Broyden mixing:
  rms(total) = 0.45840E-02    rms(broyden)= 0.45838E-02
  rms(prec ) = 0.51486E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4323
  2.6118  2.3010  0.9678  0.9678  0.8728  0.8728

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.65479547
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48292942
  PAW double counting   =      9491.09466260    -9419.05282792
  entropy T*S    EENTRO =         0.00303494
  eigenvalues    EBANDS =      -336.81192805
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87190101 eV

  energy without entropy =      -49     EDDAV:  cpu time   19.20: real time   19.28
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.92: real time   21.03

 eigenvalue-minimisations  :  8896
 total energy-change (2. order) :     EDDAV:  cpu time   18.94: real time   19.02
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.76: real time    1.77
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.73: real time   20.82

 eigenvalue-minimisations  :  8720
 total energy-change (2. order) : 0.7159288E-05  (-0.3680732E-05)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0498320 magnetization 

 Broyden mixing:
  rms(total) = 0.71907E-03    rms(broyden)= 0.71899E-03
  rms(prec ) = 0.86698E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4093
  2.5554  2.4260  0.8544  0.8544  1.0364  1.0364  1.1025

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.71717443
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48598128
  PAW double counting   =      9485.76047296    -9413.67284267
  entropy T*S    EENTRO =         0.00303986
  eigenvalues    EBANDS =      -336.79839430
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87189385 eV

  energy wi     EDDAV:  cpu time   13.60: real time   13.66
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.63: real time   13.70

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) : 0.3169953E-07  (-0.7266233E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0521233 ma     EDDAV:  cpu time   17.58: real time   17.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.76
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.37: real time   19.46

 eigenvalue-minimisations  :  7904
 total energy-change (2. order) :-0.6743976E-06  (-0.4908849E-06)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0499985 magnetization 

 Broyden mixing:
  rms(total) = 0.34158E-03    rms(broyden)= 0.34157E-03
  rms(prec ) = 0.42985E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4181
  2.6502  2.4573  1.5689  0.8723  0.9364  0.9364  0.9618  0.9618

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.71419255
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48581409
  PAW double counting   =      9484.73144855    -9412.63593830
  entropy T*S    EENTRO =         0.00303834
  eigenvalues    EBANDS =      -336.80908811
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87189453 eV

  energy without entropy =      -49.87493287  energy(sigma->0) =      -49.87290731
890      2.00000
      4     -39.6546      2.00000
      5     -39.6542      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.9436      2.00000
      9      -0.6505      2.00000
     10      -0.1272      2.00000
     11       0.1717      2.00000
     12       0.2607      2.00000
     13       0.2919      2.00000
     14       0.4379      2.00000
     15       0.5335      2.00000
     16       0.6061      2.00000
     17       0.6320      2.00000
     18       0.6688      2.00000
     19       0.7428      2.00000
     20       0.8937      2.00000
     21       0.9394      2.00000
     22       1.0526      2.00000
     23       1.0969      2.00000
     24       1.1869      2.00000
     25       1.2183      2.00000
     26       1.2817      2.00000
     27       1.3135      2.00000
     28       1.5806      2.00000
     29       1.6523      2.00000
     30       1.7097      2.00000
     31       1.7383      2.00000
     32       1.7885      2.00000
     33       1.9189      2.00000
     34       1.9386      2.00000
     35       2.1469      2.00000
     36       2.1749      2.00000
     37       2.2710      2.00000
     38       2.3141      2.00000
     39       2.4451      2.00000
     40       2.5340      2.00000
     41       2.5855      2.00000
     42       2.6386      2.00000
     43       2.7234      2.00000
     44       2.8649      2.00000
     45       2.8734      2.00000
     46       2.9057      2.00000
     47       2.9998      2.00000
     48       3.0416      2.00000
     49       3.0997      2.00000
     50       3.1312      2.00000
     51       3.3260      2.00000
     52       3.3845      2.00000
     53       3.4993      2.00000
     54       3.5832      2.00000
     55       3.8875      2.00000
     56       4.0724      2.00000
     57       4.2295      2.00000
     58       4.2311      2.00000
     59       4.9494      2.00000
     60       5.6207      2.01670
     61       6.2814     -0.06863
     62       8.1959     -0.00000
     63       8.2961     -0.00000
     64       8.3200     -0.00000
     65       8.9347     -0.00000
     66       9.6679     -0.00000
     67      10.3880     -0.00000
     68      10.7357     -0.00000
     69      11.4814      0.00000
     70      11.7654      0.00000
     71      11.8237      0.00000
     72      12.0613      0.00000
     73      12.2713      0.00000
     74      12.3410      0.00000
     75      12.5156      0.00000
     76      12.7931      0.00000
     77      13.2975      0.00000
     78      13.6586      0.00000
     79      13.7918      0.00000
     80      14.6374      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6713      2.00000
      9      -0.5728      2.00000
     10      -0.2734      2.00000
     11       0.2635      2.00000
     12       0.2796      2.00000
     13       0.3875      2.00000
     14       0.4649      2.00000
     15       0.6008      2.00000
     16       0.6128      2.00000
     17       0.7306      2.00000
     18       0.8243      2.00000
     19       0.9088      2.00000
     20       0.9349      2.00000
     21       0.9735      2.00000
     22       1.0987      2.00000
     23       1.1159      2.00000
     24       1.1972      2.00000
     25       1.2485      2.00000
     26       1.3509      2.00000
     27       1.3785      2.00000
     28       1.4948      2.00000
     29       1.6261      2.00000
     30       1.6638      2.00000
     31       1.7513      2.00000
     32       1.8214      2.00000
     33       1.8534      2.00000
     34       2.0107      2.00000
     35       2.0300      2.00000
     36       2.1704      2.00000
     37       2.2529      2.00000
     38       2.3587      2.00000
     39       2.4530      2.00000
     40       2.5022      2.00000
     41       2.5635      2.00000
     42       2.6062      2.00000
     43       2.6837      2.00000
     44       2.7344      2.00000
     45       2.8020      2.00000
     46       2.8205      2.00000
     47       2.9238      2.00000
     48       3.0508      2.00000
     49       3.1123      2.00000
     50       3.1958      2.00000
     51       3.2370      2.00000
     52       3.2718      2.00000
     53       3.4166      2.00000
     54       3.6149      2.00000
     55       3.7093      2.00000
     56       3.8478      2.00000
     57       4.0944      2.00000
     58       4.5833      2.00000
     59       5.5119      2.00202
     60       6.2812     -0.06867
     61       6.7914     -0.00000
     62       7.1006     -0.00000
     63       7.7148     -0.00000
     64       8.1675     -0.00000
     65       8.5800     -0.00000
     66       8.7187     -0.00000
     67       9.6394     -0.00000
     68      10.2971     -0.00000
     69      10.6155     -0.00000
     70      10.6653     -0.00000
     71      11.1320     -0.00000
     72      11.7225      0.00000
     73      12.5526      0.00000
     74      12.9446      0.00000
     75      13.2299      0.00000
     76      13.3002      0.00000
     77      13.4774      0.00000
     78      13.8560      0.00000
     79      14.4462      0.00000
     80      14.7162      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0306      2.00000
      9      -0.4128      2.00000
     10      -0.1255      2.00000
     11       0.3203      2.00000
     12       0.4218      2.00000
     13       0.4998      2.00000
     14       0.5868      2.00000
     15       0.6468      2.00000
     16       0.7353      2.00000
     17       0.8393      2.00000
     18       0.9158      2.00000
     19       0.9974      2.00000
     20       1.0419      2.00000
     21       1.0743      2.00000
     22       1.1737      2.00000
     23       1.2266      2.00000
     24       1.2796      2.00000
     25       1.3118      2.00000
     26       1.3587      2.00000
     27       1.4545      2.00000
     28       1.5529      2.00000
     29       1.6033      2.00000
     30       1.7248      2.00000
     31       1.8103      2.00000
     32       1.8586      2.00000
     33       1.9574      2.00000
     34       2.0154      2.00000
     35       2.1072      2.00000
     36       2.1235      2.00000
     37       2.1871      2.00000
     38       2.2518      2.00000
     39       2.3077      2.00000
     40       2.4005      2.00000
     41       2.4887      2.00000
     42       2.5367      2.00000
     43       2.6544      2.00000
     44       2.6936      2.00000
     45       2.7429      2.00000
     46       2.7932      2.00000
     47       2.8396      2.00000
     48       2.9252      2.00000
     49       3.0124      2.00000
     50       3.0986      2.00000
     51       3.1422      2.00000
     52       3.2364      2.00000
     53       3.3640      2.00000
     54       3.4556      2.00000
     55       3.5794      2.00000
     56       3.8199      2.00000
     57       4.6133      2.00000
     58       5.0046      2.00000
     59       5.4464      2.00040
     60       5.7826      2.07017
     61       6.4811     -0.00508
     62       6.8367     -0.00000
     63       6.9858     -0.00000
     64       7.5305     -0.00000
     65       7.9933     -0.00000
     66       8.3403     -0.00000
     67       8.6937     -0.00000
     68       9.4243     -0.00000
     69       9.8039     -0.00000
     70      10.3569     -0.00000
     71      10.4734     -0.00000
     72      10.7902     -0.00000
     73      11.4044     -0.00000
     74      12.1866      0.00000
     75      13.1248      0.00000
     76      13.6939      0.00000
     77      13.7567      0.00000
     78      13.8862      0.00000
     79      14.2818      0.00000
     80      14.6933      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3890      2.00000
      9      -0.1097      2.00000
     10       0.0913      2.00000
     11       0.1643      2.00000
     12       0.4854      2.00000
     13       0.5079      2.00000
     14       0.5604      2.00000
     15       0.6348      2.00000
     16       0.8263      2.00000
     17       0.9189      2.00000
     18       0.9328      2.00000
     19       1.1111      2.00000
     20       1.1670      2.00000
     21       1.1835      2.00000
     22       1.2696      2.00000
     23       1.3701      2.00000
     24       1.3909      2.00000
     25       1.4074      2.00000
     26       1.4763      2.00000
     27       1.5152      2.00000
     28       1.6456      2.00000
     29       1.6828      2.00000
     30       1.7345      2.00000
     31       1.8018      2.00000
     32       1.9105      2.00000
     33       1.9539      2.00000
     34       2.0624      2.00000
     35       2.1440      2.00000
     36       2.1612      2.00000
     37       2.1838      2.00000
     38       2.2798      2.00000
     39       2.3149      2.00000
     40       2.3701      2.00000
     41       2.4637      2.00000
     42       2.4789      2.00000
     43       2.5497      2.00000
     44       2.6400      2.00000
     45       2.6733      2.00000
     46       2.7587      2.00000
     47       2.8005      2.00000
     48       2.8384      2.00000
     49       2.9228      2.00000
     50       3.0615      2.00000
     51       3.1618      2.00000
     52       3.2708      2.00000
     53       3.3646      2.00000
     54       3.5550      2.00000
     55       3.6409      2.00000
     56       3.8215      2.00000
     57       4.1454      2.00000
     58       4.2955      2.00000
     59       5.1344      2.00000
     60       5.8640      1.96419
     61       6.0545      0.69692
     62       6.1712      0.03848
     63       6.8164     -0.00000
     64       7.0754     -0.00000
     65       7.6686     -0.00000
     66       8.2230     -0.00000
     67       8.4891     -0.00000
     68       8.8322     -0.00000
     69       9.4847     -0.00000
     70       9.7744     -0.00000
     71      10.5280     -0.00000
     72      10.9666     -0.00000
     73      11.1346     -0.00000
     74      11.7828      0.00000
     75      12.2795      0.00000
     76      12.7655      0.00000
     77      13.4120      0.00000
     78      13.7800      0.00000
     79      13.9630      0.00000
     80      14.6486      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4440      2.00000
      9      -0.1792      2.00000
     10       0.0377      2.00000
     11       0.1383      2.00000
     12       0.5024      2.00000
     13       0.5274      2.00000
     14       0.7036      2.00000
     15       0.7405      2.00000
     16       0.8740      2.00000
     17       0.9139      2.00000
     18       0.9896      2.00000
     19       1.0667      2.00000
     20       1.0869      2.00000
     21       1.2411      2.00000
     22       1.2815      2.00000
     23       1.3282      2.00000
     24       1.3852      2.00000
     25       1.3927      2.00000
     26       1.4453      2.00000
     27       1.4935      2.00000
     28       1.6696      2.00000
     29       1.7019      2.00000
     30       1.7447      2.00000
     31       1.8037      2.00000
     32       1.8761      2.00000
     33       1.9060      2.00000
     34       2.0424      2.00000
     35       2.0809      2.00000
     36       2.1441      2.00000
     37       2.1616      2.00000
     38       2.2299      2.00000
     39       2.3384      2.00000
     40       2.4408      2.00000
     41       2.4624      2.00000
     42       2.5414      2.00000
     43       2.5833      2.00000
     44       2.6242      2.00000
     45       2.6783      2.00000
     46       2.7342      2.00000
     47       2.8062      2.00000
     48       2.8488      2.00000
     49       2.9102      2.00000
     50       3.0972      2.00000
     51       3.1813      2.00000
     52       3.2059      2.00000
     53       3.5184      2.00000
     54       3.5514      2.00000
     55       3.7426      2.00000
     56       4.2034      2.00000
     57       4.3903      2.00000
     58       4.5648      2.00000
     59       4.7192      2.00000
     60       5.1880      2.00000
     61       5.6158      2.01541
     62       6.0833      0.47906
     63       6.1032      0.34669
     64       7.1078     -0.00000
     65       8.2638     -0.00000
     66       8.3951     -0.00000
     67       8.9061     -0.00000
     68       9.1554     -0.00000
     69       9.2520     -0.00000
     70       9.9614     -0.00000
     71      10.4673     -0.00000
     72      10.6014     -0.00000
     73      11.3595     -0.00000
     74      11.9203      0.00000
     75      12.5772      0.00000
     76      13.1557      0.00000
     77      13.5213      0.00000
     78      13.8753      0.00000
     79      14.1293      0.00000
     80      14.4588      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1615      2.00000
      9      -0.4803      2.00000
     10       0.0245      2.00000
     11       0.1485      2.00000
     12       0.5199      2.00000
     13       0.5881      2.00000
     14       0.6517      2.00000
     15       0.6889      2.00000
     16       0.8189      2.00000
     17       0.8359      2.00000
     18       0.8703      2.00000
     19       0.9586      2.00000
     20       1.0867      2.00000
     21       1.1289      2.00000
     22       1.1858      2.00000
     23       1.2094      2.00000
     24       1.3050      2.00000
     25       1.3381      2.00000
     26       1.3940      2.00000
     27       1.4431      2.00000
     28       1.4776      2.00000
     29       1.6385      2.00000
     30       1.7360      2.00000
     31       1.7611      2.00000
     32       1.8398      2.00000
     33       1.9010      2.00000
     34       1.9607      2.00000
     35       2.0570      2.00000
     36       2.1590      2.00000
     37       2.2240      2.00000
     38       2.2955      2.00000
     39       2.3608      2.00000
     40       2.4387      2.00000
     41       2.5179      2.00000
     42       2.5556      2.00000
     43       2.6044      2.00000
     44       2.6555      2.00000
     45       2.7681      2.00000
     46       2.7926      2.00000
     47       2.8767      2.00000
     48       2.8872      2.00000
     49       3.0449      2.00000
     50       3.0903      2.00000
     51       3.1363      2.00000
     52       3.2106      2.00000
     53       3.3211      2.00000
     54       3.5287      2.00000
     55       3.6983      2.00000
     56       4.0988      2.00000
     57       4.4562      2.00000
     58       4.8441      2.00000
     59       5.4961      2.00140
     60       5.6988      2.04649
     61       6.0830      0.48150
     62       6.3605     -0.03604
     63       6.9718     -0.00000
     64       7.1804     -0.00000
     65       7.5817     -0.00000
     66       8.2225     -0.00000
     67       8.9825     -0.00000
     68       9.2537     -0.00000
     69      10.2430     -0.00000
     70      11.0462     -0.00000
     71      11.3105     -0.00000
     72      11.6849      0.00000
     73      12.1198      0.00000
     74      12.3663      0.00000
     75      12.7895      0.00000
     76      13.4226      0.00000
     77      13.6318      0.00000
     78      13.9024      0.00000
     79      14.2920      0.00000
     80      14.4162      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.7555      2.00000
      9      -0.6353      2.00000
     10       0.0408      2.00000
     11       0.1803      2.00000
     12       0.3288      2.00000
     13       0.3413      2.00000
     14       0.4047      2.00000
     15       0.6254      2.00000
     16       0.6457      2.00000
     17       0.7333      2.00000
     18       0.8123      2.00000
     19       0.8840      2.00000
     20       0.9076      2.00000
     21       1.0603      2.00000
     22       1.0650      2.00000
     23       1.1493      2.00000
     24       1.2174      2.00000
     25       1.2776      2.00000
     26       1.3011      2.00000
     27       1.3313      2.00000
     28       1.4618      2.00000
     29       1.6612      2.00000
     30       1.6804      2.00000
     31       1.7690      2.00000
     32       1.8281      2.00000
     33       1.8991      2.00000
     34       1.9247      2.00000
     35       2.0791      2.00000
     36       2.1558      2.00000
     37       2.2812      2.00000
     38       2.3316      2.00000
     39       2.3805      2.00000
     40       2.4852      2.00000
     41       2.5217      2.00000
     42       2.6173      2.00000
     43       2.7385      2.00000
     44       2.7946      2.00000
     45       2.8247      2.00000
     46       2.8707      2.00000
     47       2.9335      2.00000
     48       3.0226      2.00000
     49       3.0911      2.00000
     50       3.1226      2.00000
     51       3.2097      2.00000
     52       3.2660      2.00000
     53       3.4355      2.00000
     54       3.6761      2.00000
     55       3.7881      2.00000
     56       3.9468      2.00000
     57       4.1227      2.00000
     58       4.8594      2.00000
     59       5.0445      2.00000
     60       5.5588      2.00548
     61       6.7238     -0.00001
     62       7.1758     -0.00000
     63       7.7263     -0.00000
     64       8.2260     -0.00000
     65       8.7051     -0.00000
     66       8.9758     -0.00000
     67       9.3890     -0.00000
     68      10.1900     -0.00000
     69      10.7661     -0.00000
     70      10.8321     -0.00000
     71      11.4187     -0.00000
     72      12.4743      0.00000
     73      12.8945      0.00000
     74      13.0658      0.00000
     75      13.2683      0.00000
     76      13.4436      0.00000
     77      13.8112      0.00000
     78      13.8812      0.00000
     79      14.3066      0.00000
     80      14.4232      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7890      2.00000
      4     -39.6547      2.00000
      5     -39.6541      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.8627      2.00000
      9      -0.8983      2.00000
     10      -0.0304      2.00000
     11       0.1653      2.00000
     12       0.2081      2.00000
     13       0.2939      2.00000
     14       0.4308      2.00000
     15       0.5807      2.00000
     16       0.6109      2.00000
     17       0.6218      2.00000
     18       0.6861      2.00000
     19       0.7728      2.00000
     20       0.8413      2.00000
     21       0.9324      2.00000
     22       1.0370      2.00000
     23       1.0783      2.00000
     24       1.2482      2.00000
     25       1.2997      2.00000
     26       1.3944      2.00000
     27       1.4184      2.00000
     28       1.5871      2.00000
     29       1.6062      2.00000
     30       1.6467      2.00000
     31       1.7012      2.00000
     32       1.8037      2.00000
     33       1.8844      2.00000
     34       1.9424      2.00000
     35       2.1641      2.00000
     36       2.2240      2.00000
     37       2.2271      2.00000
     38       2.2922      2.00000
     39       2.4423      2.00000
     40       2.4984      2.00000
     41       2.6168      2.00000
     42       2.6588      2.00000
     43       2.6685      2.00000
     44       2.8188      2.00000
     45       2.8375      2.00000
     46       2.8810      2.00000
     47       2.9056      2.00000
     48       3.0584      2.00000
     49       3.1074      2.00000
     50       3.1482      2.00000
     51       3.3177      2.00000
     52       3.3654      2.00000
     53       3.4550      2.00000
     54       3.6315      2.00000
     55       3.9521      2.00000
     56       4.2221      2.00000
     57       4.2316      2.00000
     58       4.3473      2.00000
     59       4.8953      2.00000
     60       6.2807     -0.06877
     61       6.4918     -0.00408
     62       6.9173     -0.00000
     63       7.2062     -0.00000
     64       8.8148     -0.00000
     65       9.5474     -0.00000
     66       9.7130     -0.00000
     67       9.8942     -0.00000
     68      10.9810     -0.00000
     69      11.1986     -0.00000
     70      11.2918     -0.00000
     71      11.4588     -0.00000
     72      12.3118      0.00000
     73      12.6903      0.00000
     74      13.1330      0.00000
     75      13.3965      0.00000
     76      13.5192      0.00000
     77      13.8192      0.00000
     78      13.9934      0.00000
     79      14.2721      0.00000
     80      14.5266      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5819      2.00000
      9      -0.8183      2.00000
     10      -0.1474      2.00000
     11       0.2261      2.00000
     12       0.2662      2.00000
     13       0.4228      2.00000
     14       0.5034      2.00000
     15       0.5761      2.00000
     16       0.6194      2.00000
     17       0.6867      2.00000
     18       0.7852      2.00000
     19       0.8847      2.00000
     20       0.9573      2.00000
     21       0.9825      2.00000
     22       1.0512      2.00000
     23       1.1538      2.00000
     24       1.2158      2.00000
     25       1.2920      2.00000
     26       1.3683      2.00000
     27       1.3992      2.00000
     28       1.5300      2.00000
     29       1.5623      2.00000
     30       1.6181      2.00000
     31       1.6695      2.00000
     32       1.8866      2.00000
     33       1.9664      2.00000
     34       2.0186      2.00000
     35       2.1578      2.00000
     36       2.1834      2.00000
     37       2.2653      2.00000
     38       2.3142      2.00000
     39       2.3614      2.00000
     40       2.3862      2.00000
     41       2.4448      2.00000
     42       2.6512      2.00000
     43       2.6691      2.00000
     44       2.7732      2.00000
     45       2.7906      2.00000
     46       2.8395      2.00000
     47       2.9806      2.00000
     48       3.0077      2.00000
     49       3.1158      2.00000
     50       3.1749      2.00000
     51       3.1872      2.00000
     52       3.3061      2.00000
     53       3.4549      2.00000
     54       3.6434      2.00000
     55       3.6997      2.00000
     56       3.8882      2.00000
     57       4.4363      2.00000
     58       4.9008      2.00000
     59       5.5457      2.00420
     60       5.8531      1.99231
     61       6.5046     -0.00311
     62       7.0395     -0.00000
     63       7.5204     -0.00000
     64       8.0658     -0.00000
     65       8.3139     -0.00000
     66       8.9190     -0.00000
     67       9.4055     -0.00000
     68       9.6699     -0.00000
     69      10.4588     -0.00000
     70      12.0070      0.00000
     71      12.3027      0.00000
     72      12.3947      0.00000
     73      12.5579      0.00000
     74      12.7215      0.00000
     75      12.8485      0.00000
     76      13.3159      0.00000
     77      13.6015      0.00000
     78      13.9208      0.00000
     79      14.0013      0.00000
     80      14.4164      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0260      2.00000
      9      -0.3868      2.00000
     10      -0.1344      2.00000
     11       0.3203      2.00000
     12       0.3979      2.00000
     13       0.4944      2.00000
     14       0.5326      2.00000
     15       0.6718      2.00000
     16       0.7789      2.00000
     17       0.8135      2.00000
     18       0.9327      2.00000
     19       0.9408      2.00000
     20       1.0250      2.00000
     21       1.0722      2.00000
     22       1.1623      2.00000
     23       1.2169      2.00000
     24       1.3042      2.00000
     25       1.3502      2.00000
     26       1.4105      2.00000
     27       1.4746      2.00000
     28       1.5457      2.00000
     29       1.6113      2.00000
     30       1.7497      2.00000
     31       1.8226      2.00000
     32       1.8840      2.00000
     33       1.9231      2.00000
     34       1.9872      2.00000
     35       2.0381      2.00000
     36       2.0801      2.00000
     37       2.1365      2.00000
     38       2.2138      2.00000
     39       2.3076      2.00000
     40       2.4624      2.00000
     41       2.5004      2.00000
     42       2.5623      2.00000
     43       2.6193      2.00000
     44       2.6784      2.00000
     45       2.7943      2.00000
     46       2.8216      2.00000
     47       2.8734      2.00000
     48       2.9211      2.00000
     49       2.9712      2.00000
     50       3.0815      2.00000
     51       3.1692      2.00000
     52       3.2456      2.00000
     53       3.2820      2.00000
     54       3.4694      2.00000
     55       3.6059      2.00000
     56       4.0052      2.00000
     57       4.4741      2.00000
     58       5.2534      2.00000
     59       5.6782      2.03718
     60       5.8961      1.84864
     61       6.2902     -0.06620
     62       6.5241     -0.00202
     63       6.6974     -0.00002
     64       7.4408     -0.00000
     65       7.6876     -0.00000
     66       8.1026     -0.00000
     67       9.1336     -0.00000
     68       9.8257     -0.00000
     69       9.9502     -0.00000
     70      10.1182     -0.00000
     71      11.1004     -0.00000
     72      11.1887     -0.00000
     73      11.7622      0.00000
     74      12.0670      0.00000
     75      12.4190      0.00000
     76      12.7702      0.00000
     77      13.2890      0.00000
     78      13.6746      0.00000
     79      14.0654      0.00000
     80      14.4128      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3899      2.00000
      9      -0.0862      2.00000
     10       0.0693      2.00000
     11       0.1457      2.00000
     12       0.4130      2.00000
     13       0.5180      2.00000
     14       0.6048      2.00000
     15       0.7136      2.00000
     16       0.8505      2.00000
     17       0.9035      2.00000
     18       0.9134      2.00000
     19       1.0944      2.00000
     20       1.1500      2.00000
     21       1.1816      2.00000
     22       1.2459      2.00000
     23       1.3130      2.00000
     24       1.3978      2.00000
     25       1.4593      2.00000
     26       1.4911      2.00000
     27       1.5955      2.00000
     28       1.6660      2.00000
     29       1.7110      2.00000
     30       1.7293      2.00000
     31       1.8349      2.00000
     32       1.8773      2.00000
     33       1.9571      2.00000
     34       1.9801      2.00000
     35       2.0711      2.00000
     36       2.1192      2.00000
     37       2.2323      2.00000
     38       2.3004      2.00000
     39       2.3457      2.00000
     40       2.3867      2.00000
     41       2.4541      2.00000
     42       2.5114      2.00000
     43       2.5243      2.00000
     44       2.6248      2.00000
     45       2.6901      2.00000
     46       2.7273      2.00000
     47       2.7916      2.00000
     48       2.8435      2.00000
     49       2.8711      2.00000
     50       3.0679      2.00000
     51       3.1388      2.00000
     52       3.2687      2.00000
     53       3.3243      2.00000
     54       3.4792      2.00000
     55       3.5866      2.00000
     56       3.7297      2.00000
     57       4.4105      2.00000
     58       4.7738      2.00000
     59       5.1285      2.00000
     60       5.6598      2.02955
     61       5.9429      1.58918
     62       6.2109     -0.04198
     63       6.5162     -0.00242
     64       6.7284     -0.00001
     65       7.7432     -0.00000
     66       8.0506     -0.00000
     67       8.5150     -0.00000
     68       9.3082     -0.00000
     69       9.7459     -0.00000
     70      10.1742     -0.00000
     71      10.8612     -0.00000
     72      10.9734     -0.00000
     73      11.3724     -0.00000
     74      11.5901      0.00000
     75      12.1244      0.00000
     76      12.4584      0.00000
     77      13.1216      0.00000
     78      13.4212      0.00000
     79      14.0245      0.00000
     80      14.2827      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4410      2.00000
      9      -0.1542      2.00000
     10      -0.0396      2.00000
     11       0.1366      2.00000
     12       0.5482      2.00000
     13       0.6652      2.00000
     14       0.6999      2.00000
     15       0.7286      2.00000
     16       0.7962      2.00000
     17       0.8839      2.00000
     18       0.9529      2.00000
     19       1.0825      2.00000
     20       1.1028      2.00000
     21       1.1365      2.00000
     22       1.2611      2.00000
     23       1.3354      2.00000
     24       1.3662      2.00000
     25       1.3890      2.00000
     26       1.5419      2.00000
     27       1.5820      2.00000
     28       1.6659      2.00000
     29       1.7139      2.00000
     30       1.7608      2.00000
     31       1.8137      2.00000
     32       1.8565      2.00000
     33       1.9604      2.00000
     34       1.9993      2.00000
     35       2.0911      2.00000
     36       2.1594      2.00000
     37       2.2388      2.00000
     38       2.3251      2.00000
     39       2.3376      2.00000
     40       2.4473      2.00000
     41       2.4672      2.00000
     42       2.4938      2.00000
     43       2.5192      2.00000
     44       2.5635      2.00000
     45       2.5780      2.00000
     46       2.7217      2.00000
     47       2.7547      2.00000
     48       2.8120      2.00000
     49       2.8806      2.00000
     50       3.1249      2.00000
     51       3.1598      2.00000
     52       3.2870      2.00000
     53       3.5088      2.00000
     54       3.5709      2.00000
     55       3.6446      2.00000
     56       4.0663      2.00000
     57       4.4068      2.00000
     58       4.5132      2.00000
     59       5.0024      2.00000
     60       5.1481      2.00000
     61       5.8124      2.05567
     62       6.1434      0.13672
     63       6.5093     -0.00281
     64       7.1525     -0.00000
     65       7.2541     -0.00000
     66       7.7671     -0.00000
     67       8.3291     -0.00000
     68       9.5517     -0.00000
     69       9.9800     -0.00000
     70      10.5749     -0.00000
     71      10.9984     -0.00000
     72      11.2516     -0.00000
     73      11.7926      0.00000
     74      12.0343      0.00000
     75      12.2617      0.00000
     76      12.8803      0.00000
     77      13.1441      0.00000
     78      13.3187      0.00000
     79      14.1389      0.00000
     80      14.3334      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.2074      2.00000
      9      -0.3452      2.00000
     10      -0.0776      2.00000
     11       0.1065      2.00000
     12       0.5483      2.00000
     13       0.5727      2.00000
     14       0.6393      2.00000
     15       0.7144      2.00000
     16       0.8450      2.00000
     17       0.8759      2.00000
     18       0.9445      2.00000
     19       1.0056      2.00000
     20       1.0827      2.00000
     21       1.1094      2.00000
     22       1.1718      2.00000
     23       1.2426      2.00000
     24       1.2600      2.00000
     25       1.3175      2.00000
     26       1.3834      2.00000
     27       1.3925      2.00000
     28       1.5491      2.00000
     29       1.6738      2.00000
     30       1.6997      2.00000
     31       1.8112      2.00000
     32       1.8826      2.00000
     33       1.9309      2.00000
     34       2.0052      2.00000
     35       2.0182      2.00000
     36       2.0557      2.00000
     37       2.1598      2.00000
     38       2.2017      2.00000
     39       2.3950      2.00000
     40       2.4386      2.00000
     41       2.4920      2.00000
     42       2.5389      2.00000
     43       2.6142      2.00000
     44       2.6576      2.00000
     45       2.7668      2.00000
     46       2.8528      2.00000
     47       2.8823      2.00000
     48       2.9204      2.00000
     49       3.0202      2.00000
     50       3.0526      2.00000
     51       3.1021      2.00000
     52       3.1893      2.00000
     53       3.2829      2.00000
     54       3.5239      2.00000
     55       3.6504      2.00000
     56       4.0011      2.00000
     57       4.3349      2.00000
     58       5.3191      2.00001
     59       5.4724      2.00079
     60       5.6665      2.03222
     61       5.8400      2.01927
     62       6.6320     -0.00013
     63       6.9536     -0.00000
     64       7.4539     -0.00000
     65       7.8325     -0.00000
     66       7.8975     -0.00000
     67       8.4502     -0.00000
     68       9.7031     -0.00000
     69       9.9856     -0.00000
     70      10.4219     -0.00000
     71      11.7469      0.00000
     72      12.2413      0.00000
     73      12.5618      0.00000
     74      12.8837      0.00000
     75      13.0882      0.00000
     76      13.3930      0.00000
     77      13.4527      0.00000
     78      13.5392      0.00000
     79      13.8893      0.00000
     80      14.1013      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.7425      2.00000
      9      -0.6713      2.00000
     10       0.0119      2.00000
     11       0.2330      2.00000
     12       0.3190      2.00000
     13       0.3458      2.00000
     14       0.4030      2.00000
     15       0.6267      2.00000
     16       0.6417      2.00000
     17       0.7176      2.00000
     18       0.8098      2.00000
     19       0.8754      2.00000
     20       0.9550      2.00000
     21       1.0175      2.00000
     22       1.0843      2.00000
     23       1.1522      2.00000
     24       1.2286      2.00000
     25       1.2593      2.00000
     26       1.3323      2.00000
     27       1.3989      2.00000
     28       1.4387      2.00000
     29       1.6046      2.00000
     30       1.6781      2.00000
     31       1.7219      2.00000
     32       1.8221      2.00000
     33       1.8748      2.00000
     34       1.9561      2.00000
     35       2.1282      2.00000
     36       2.1930      2.00000
     37       2.2540      2.00000
     38       2.3089      2.00000
     39       2.3955      2.00000
     40       2.5133      2.00000
     41       2.5364      2.00000
     42       2.6091      2.00000
     43       2.7197      2.00000
     44       2.7582      2.00000
     45       2.8019      2.00000
     46       2.8814      2.00000
     47       2.9628      2.00000
     48       2.9946      2.00000
     49       3.1183      2.00000
     50       3.1574      2.00000
     51       3.2077      2.00000
     52       3.2870      2.00000
     53       3.4314      2.00000
     54       3.6274      2.00000
     55       3.7767      2.00000
     56       3.9492      2.00000
     57       4.1570      2.00000
     58       4.5061      2.00000
     59       5.2801      2.00000
     60       6.0543      0.69852
     61       6.5858     -0.00045
     62       6.9913     -0.00000
     63       7.7932     -0.00000
     64       8.0664     -0.00000
     65       8.3327     -0.00000
     66       8.7169     -0.00000
     67       9.6846     -0.00000
     68      10.4552     -0.00000
     69      10.9083     -0.00000
     70      11.0315     -0.00000
     71      11.3039     -0.00000
     72      12.5032      0.00000
     73      12.8821      0.00000
     74      13.0338      0.00000
     75      13.1593      0.00000
     76      13.4998      0.00000
     77      13.5936      0.00000
     78      13.9439      0.00000
     79      14.3533      0.00000
     80      14.4765      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.8550      2.00000
      9      -0.9350      2.00000
     10       0.0393      2.00000
     11       0.1724      2.00000
     12       0.2061      2.00000
     13       0.2885      2.00000
     14       0.4239      2.00000
     15       0.5927      2.00000
     16       0.6103      2.00000
     17       0.6220      2.00000
     18       0.6884      2.00000
     19       0.7213      2.00000
     20       0.8404      2.00000
     21       0.9466      2.00000
     22       1.0883      2.00000
     23       1.1018      2.00000
     24       1.1985      2.00000
     25       1.2691      2.00000
     26       1.3513      2.00000
     27       1.3648      2.00000
     28       1.5469      2.00000
     29       1.6493      2.00000
     30       1.6916      2.00000
     31       1.7081      2.00000
     32       1.7992      2.00000
     33       1.8655      2.00000
     34       1.8961      2.00000
     35       2.1218      2.00000
     36       2.2147      2.00000
     37       2.2529      2.00000
     38       2.3833      2.00000
     39       2.4308      2.00000
     40       2.5220      2.00000
     41       2.5916      2.00000
     42       2.6202      2.00000
     43       2.6779      2.00000
     44       2.8443      2.00000
     45       2.8676      2.00000
     46       2.9837      2.00000
     47       3.0452      2.00000
     48       3.0534      2.00000
     49       3.1260      2.00000
     50       3.1879      2.00000
     51       3.2789      2.00000
     52       3.3104      2.00000
     53       3.5381      2.00000
     54       3.6474      2.00000
     55       3.9125      2.00000
     56       3.9400      2.00000
     57       4.2159      2.00000
     58       4.4100      2.00000
     59       4.9996      2.00000
     60       5.5952      2.01086
     61       6.2236     -0.05558
     62       7.7532     -0.00000
     63       8.1765     -0.00000
     64       8.6106     -0.00000
     65       8.6488     -0.00000
     66       9.7717     -0.00000
     67      10.3962     -0.00000
     68      10.5905     -0.00000
     69      10.8082     -0.00000
     70      11.2499     -0.00000
     71      11.7439      0.00000
     72      12.4658      0.00000
     73      12.7299      0.00000
     74      12.8276      0.00000
     75      13.1369      0.00000
     76      13.2395      0.00000
     77      13.6947      0.00000
     78      14.4266      0.00000
     79      14.4850      0.00000
     80      14.5538      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6538      2.00000
      9      -0.6537      2.00000
     10      -0.2068      2.00000
     11       0.2462      2.00000
     12       0.2927      2.00000
     13       0.4342      2.00000
     14       0.4377      2.00000
     15       0.5913      2.00000
     16       0.6329      2.00000
     17       0.7245      2.00000
     18       0.7810      2.00000
     19       0.8725      2.00000
     20       0.9376      2.00000
     21       0.9832      2.00000
     22       1.0792      2.00000
     23       1.1422      2.00000
     24       1.1777      2.00000
     25       1.2515      2.00000
     26       1.3616      2.00000
     27       1.3749      2.00000
     28       1.4940      2.00000
     29       1.6211      2.00000
     30       1.6427      2.00000
     31       1.7439      2.00000
     32       1.8733      2.00000
     33       1.8957      2.00000
     34       1.9967      2.00000
     35       2.0796      2.00000
     36       2.1783      2.00000
     37       2.2358      2.00000
     38       2.3189      2.00000
     39       2.3993      2.00000
     40       2.4737      2.00000
     41       2.5657      2.00000
     42       2.6311      2.00000
     43       2.7209      2.00000
     44       2.7625      2.00000
     45       2.8202      2.00000
     46       2.8526      2.00000
     47       2.9303      2.00000
     48       3.0203      2.00000
     49       3.0789      2.00000
     50       3.1356      2.00000
     51       3.2275      2.00000
     52       3.2580      2.00000
     53       3.5435      2.00000
     54       3.6692      2.00000
     55       3.7396      2.00000
     56       3.8125      2.00000
     57       4.0984      2.00000
     58       4.9347      2.00000
     59       5.0797      2.00000
     60       5.8197      2.04849
     61       6.8044     -0.00000
     62       7.1819     -0.00000
     63       7.7794     -0.00000
     64       8.6834     -0.00000
     65       8.9437     -0.00000
     66       9.1283     -0.00000
     67       9.4530     -0.00000
     68       9.6250     -0.00000
     69       9.7870     -0.00000
     70      10.9409     -0.00000
     71      11.5588      0.00000
     72      12.1297      0.00000
     73      12.3265      0.00000
     74      12.4747      0.00000
     75      13.1572      0.00000
     76      13.2972      0.00000
     77      13.6984      0.00000
     78      14.0740      0.00000
     79      14.3988      0.00000
     80      14.5333      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0739      2.00000
      9      -0.2666      2.00000
     10      -0.2118      2.00000
     11       0.2615      2.00000
     12       0.4252      2.00000
     13       0.5246      2.00000
     14       0.5596      2.00000
     15       0.6792      2.00000
     16       0.7906      2.00000
     17       0.8352      2.00000
     18       0.9131      2.00000
     19       1.0042      2.00000
     20       1.0931      2.00000
     21       1.1019      2.00000
     22       1.1466      2.00000
     23       1.1981      2.00000
     24       1.2281      2.00000
     25       1.2751      2.00000
     26       1.3559      2.00000
     27       1.4943      2.00000
     28       1.5803      2.00000
     29       1.6359      2.00000
     30       1.6621      2.00000
     31       1.8187      2.00000
     32       1.8380      2.00000
     33       1.9959      2.00000
     34       2.0056      2.00000
     35       2.0658      2.00000
     36       2.1681      2.00000
     37       2.2037      2.00000
     38       2.2471      2.00000
     39       2.2978      2.00000
     40       2.3737      2.00000
     41       2.5067      2.00000
     42       2.6268      2.00000
     43       2.6545      2.00000
     44       2.7182      2.00000
     45       2.7578      2.00000
     46       2.8033      2.00000
     47       2.8385      2.00000
     48       2.9304      2.00000
     49       2.9519      2.00000
     50       3.0934      2.00000
     51       3.1178      2.00000
     52       3.2074      2.00000
     53       3.4107      2.00000
     54       3.4948      2.00000
     55       3.5849      2.00000
     56       3.6845      2.00000
     57       4.4226      2.00000
     58       4.7927      2.00000
     59       5.4301      2.00026
     60       5.9926      1.21352
     61       6.6012     -0.00030
     62       6.9399     -0.00000
     63       7.0283     -0.00000
     64       7.3314     -0.00000
     65       8.2587     -0.00000
     66       8.5020     -0.00000
     67       8.8284     -0.00000
     68       9.3379     -0.00000
     69       9.9737     -0.00000
     70      10.1798     -0.00000
     71      10.3260     -0.00000
     72      11.0728     -0.00000
     73      11.7746      0.00000
     74      12.1332      0.00000
     75      12.3109      0.00000
     76      12.9667      0.00000
     77      13.7708      0.00000
     78      13.8270      0.00000
     79      14.0824      0.00000
     80      14.2226      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3642      2.00000
      9      -0.1422      2.00000
     10       0.0802      2.00000
     11       0.1468      2.00000
     12       0.4561      2.00000
     13       0.5655      2.00000
     14       0.6358      2.00000
     15       0.6878      2.00000
     16       0.7350      2.00000
     17       0.8930      2.00000
     18       0.9474      2.00000
     19       1.0627      2.00000
     20       1.1469      2.00000
     21       1.1780      2.00000
     22       1.2168      2.00000
     23       1.3221      2.00000
     24       1.3798      2.00000
     25       1.4699      2.00000
     26       1.5354      2.00000
     27       1.5656      2.00000
     28       1.6341      2.00000
     29       1.7124      2.00000
     30       1.7806      2.00000
     31       1.8471      2.00000
     32       1.9065      2.00000
     33       1.9407      2.00000
     34       2.0874      2.00000
     35       2.1452      2.00000
     36       2.1538      2.00000
     37       2.2499      2.00000
     38       2.2613      2.00000
     39       2.3331      2.00000
     40       2.3736      2.00000
     41       2.4172      2.00000
     42       2.5117      2.00000
     43       2.5612      2.00000
     44       2.5947      2.00000
     45       2.6155      2.00000
     46       2.6873      2.00000
     47       2.7695      2.00000
     48       2.7926      2.00000
     49       2.8760      2.00000
     50       3.0700      2.00000
     51       3.1271      2.00000
     52       3.1860      2.00000
     53       3.3648      2.00000
     54       3.5314      2.00000
     55       3.6264      2.00000
     56       3.8841      2.00000
     57       4.3684      2.00000
     58       4.7200      2.00000
     59       5.0972      2.00000
     60       5.6334      2.02034
     61       5.6904      2.04260
     62       6.1945     -0.01635
     63       6.6445     -0.00009
     64       7.0090     -0.00000
     65       7.5010     -0.00000
     66       7.8699     -0.00000
     67       8.9913     -0.00000
     68       9.5989     -0.00000
     69       9.8874     -0.00000
     70      10.0849     -0.00000
     71      10.4697     -0.00000
     72      10.7313     -0.00000
     73      11.0932     -0.00000
     74      11.6139      0.00000
     75      12.2450      0.00000
     76      12.9555      0.00000
     77      13.1797      0.00000
     78      13.9002      0.00000
     79      13.9180      0.00000
     80      14.0556      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4493      2.00000
      9      -0.1480      2.00000
     10      -0.0116      2.00000
     11       0.1319      2.00000
     12       0.5361      2.00000
     13       0.5740      2.00000
     14       0.6446      2.00000
     15       0.7557      2.00000
     16       0.8627      2.00000
     17       0.9506      2.00000
     18       0.9999      2.00000
     19       1.0504      2.00000
     20       1.1065      2.00000
     21       1.1679      2.00000
     22       1.2236      2.00000
     23       1.3150      2.00000
     24       1.3934      2.00000
     25       1.4704      2.00000
     26       1.5022      2.00000
     27       1.5470      2.00000
     28       1.5975      2.00000
     29       1.7146      2.00000
     30       1.7552      2.00000
     31       1.7941      2.00000
     32       1.8956      2.00000
     33       1.9568      2.00000
     34       1.9708      2.00000
     35       2.0535      2.00000
     36       2.1788      2.00000
     37       2.1910      2.00000
     38       2.2882      2.00000
     39       2.3278      2.00000
     40       2.3555      2.00000
     41       2.4731      2.00000
     42       2.4944      2.00000
     43       2.5833      2.00000
     44       2.6150      2.00000
     45       2.6765      2.00000
     46       2.7671      2.00000
     47       2.8005      2.00000
     48       2.8131      2.00000
     49       2.9000      2.00000
     50       3.1212      2.00000
     51       3.1758      2.00000
     52       3.2306      2.00000
     53       3.5149      2.00000
     54       3.5707      2.00000
     55       3.6830      2.00000
     56       3.8770      2.00000
     57       4.4418      2.00000
     58       4.5827      2.00000
     59       4.9744      2.00000
     60       5.4236      2.00022
     61       5.7562      2.06897
     62       5.8211      2.04691
     63       6.7128     -0.00001
     64       6.9900     -0.00000
     65       7.2848     -0.00000
     66       7.5099     -0.00000
     67       9.0246     -0.00000
     68       9.4070     -0.00000
     69      10.1076     -0.00000
     70      10.5165     -0.00000
     71      10.8585     -0.00000
     72      11.2150     -0.00000
     73      11.4065     -0.00000
     74      11.6782      0.00000
     75      12.0215      0.00000
     76      12.6500      0.00000
     77      13.4598      0.00000
     78      13.5594      0.00000
     79      14.0976      0.00000
     80      14.1461      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1359      2.00000
      9      -0.5381      2.00000
     10       0.1059      2.00000
     11       0.1285      2.00000
     12       0.5075      2.00000
     13       0.5846      2.00000
     14       0.6537      2.00000
     15       0.6894      2.00000
     16       0.7975      2.00000
     17       0.8207      2.00000
     18       0.8450      2.00000
     19       0.9369      2.00000
     20       1.0937      2.00000
     21       1.1345      2.00000
     22       1.1762      2.00000
     23       1.2039      2.00000
     24       1.3211      2.00000
     25       1.3616      2.00000
     26       1.4014      2.00000
     27       1.4425      2.00000
     28       1.5119      2.00000
     29       1.5697      2.00000
     30       1.6899      2.00000
     31       1.7352      2.00000
     32       1.8748      2.00000
     33       1.9172      2.00000
     34       1.9732      2.00000
     35       2.1180      2.00000
     36       2.1641      2.00000
     37       2.2402      2.00000
     38       2.2857      2.00000
     39       2.3503      2.00000
     40       2.4242      2.00000
     41       2.5136      2.00000
     42       2.5695      2.00000
     43       2.6581      2.00000
     44       2.6933      2.00000
     45       2.7636      2.00000
     46       2.8073      2.00000
     47       2.8510      2.00000
     48       2.9083      2.00000
     49       2.9602      2.00000
     50       3.0780      2.00000
     51       3.1202      2.00000
     52       3.2064      2.00000
     53       3.3480      2.00000
     54       3.5097      2.00000
     55       3.6997      2.00000
     56       4.1221      2.00000
     57       4.6041      2.00000
     58       4.9782      2.00000
     59       5.3627      2.00004
     60       5.6819      2.03877
     61       6.0242      0.94797
     62       6.2187     -0.05097
     63       6.7016     -0.00001
     64       7.1761     -0.00000
     65       7.6196     -0.00000
     66       8.7376     -0.00000
     67       8.9100     -0.00000
     68       9.3497     -0.00000
     69      10.4035     -0.00000
     70      10.6048     -0.00000
     71      11.0173     -0.00000
     72      11.6293      0.00000
     73      12.2244      0.00000
     74      12.4947      0.00000
     75      12.8212      0.00000
     76      13.3516      0.00000
     77      13.5911      0.00000
     78      14.0749      0.00000
     79      14.2362      0.00000
     80      14.4804      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6568      2.00000
      9      -0.8913      2.00000
     10       0.1416      2.00000
     11       0.2632      2.00000
     12       0.3131      2.00000
     13       0.3213      2.00000
     14       0.3987      2.00000
     15       0.6240      2.00000
     16       0.6445      2.00000
     17       0.6636      2.00000
     18       0.7495      2.00000
     19       0.8538      2.00000
     20       0.9340      2.00000
     21       1.0556      2.00000
     22       1.1239      2.00000
     23       1.1783      2.00000
     24       1.2186      2.00000
     25       1.2728      2.00000
     26       1.3780      2.00000
     27       1.3905      2.00000
     28       1.4742      2.00000
     29       1.5902      2.00000
     30       1.6894      2.00000
     31       1.7402      2.00000
     32       1.8438      2.00000
     33       1.8531      2.00000
     34       2.0325      2.00000
     35       2.1573      2.00000
     36       2.1896      2.00000
     37       2.2295      2.00000
     38       2.2613      2.00000
     39       2.3670      2.00000
     40       2.4426      2.00000
     41       2.5145      2.00000
     42       2.6232      2.00000
     43       2.6512      2.00000
     44       2.7783      2.00000
     45       2.8284      2.00000
     46       2.8757      2.00000
     47       2.9528      2.00000
     48       2.9835      2.00000
     49       3.1140      2.00000
     50       3.1882      2.00000
     51       3.2042      2.00000
     52       3.2937      2.00000
     53       3.4759      2.00000
     54       3.7129      2.00000
     55       3.9378      2.00000
     56       3.9625      2.00000
     57       4.1965      2.00000
     58       4.6019      2.00000
     59       5.0556      2.00000
     60       5.6496      2.02571
     61       6.7370     -0.00000
     62       7.3354     -0.00000
     63       7.6618     -0.00000
     64       8.2641     -0.00000
     65       8.4695     -0.00000
     66       8.5698     -0.00000
     67       9.0086     -0.00000
     68       9.2289     -0.00000
     69      11.3342     -0.00000
     70      12.1197      0.00000
     71      12.4127      0.00000
     72      12.6512      0.00000
     73      12.8354      0.00000
     74      13.1027      0.00000
     75      13.2833      0.00000
     76      13.5442      0.00000
     77      13.7077      0.00000
     78      13.7798      0.00000
     79      13.8835      0.00000
     80      14.0678      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6547      2.00000
      5     -39.6541      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6588      2.00000
      9      -0.7779      2.00000
     10      -0.6033      2.00000
     11       0.0780      2.00000
     12       0.2644      2.00000
     13       0.3774      2.00000
     14       0.3930      2.00000
     15       0.5497      2.00000
     16       0.6300      2.00000
     17       0.7396      2.00000
     18       0.7420      2.00000
     19       0.8349      2.00000
     20       0.8884      2.00000
     21       0.9227      2.00000
     22       1.0469      2.00000
     23       1.1025      2.00000
     24       1.1325      2.00000
     25       1.2340      2.00000
     26       1.3251      2.00000
     27       1.3538      2.00000
     28       1.4882      2.00000
     29       1.6035      2.00000
     30       1.6146      2.00000
     31       1.7790      2.00000
     32       1.9011      2.00000
     33       1.9038      2.00000
     34       2.0899      2.00000
     35       2.1443      2.00000
     36       2.2245      2.00000
     37       2.3474      2.00000
     38       2.4369      2.00000
     39       2.4634      2.00000
     40       2.4709      2.00000
     41       2.5405      2.00000
     42       2.6171      2.00000
     43       2.6784      2.00000
     44       2.6843      2.00000
     45       2.8155      2.00000
     46       2.8738      2.00000
     47       2.9535      2.00000
     48       2.9764      2.00000
     49       3.1520      2.00000
     50       3.2292      2.00000
     51       3.3164      2.00000
     52       3.3373      2.00000
     53       3.4399      2.00000
     54       3.5300      2.00000
     55       3.7136      2.00000
     56       3.7490      2.00000
     57       3.9833      2.00000
     58       4.2010      2.00000
     59       5.8150      2.05324
     60       7.2652     -0.00000
     61       7.4178     -0.00000
     62       7.4624     -0.00000
     63       7.7568     -0.00000
     64       8.2334     -0.00000
     65       8.7263     -0.00000
     66       9.2638     -0.00000
     67       9.8802     -0.00000
     68      10.4847     -0.00000
     69      10.6535     -0.00000
     70      11.2212     -0.00000
     71      11.2602     -0.00000
     72      11.4255     -0.00000
     73      12.3977      0.00000
     74      12.9833      0.00000
     75      13.1368      0.00000
     76      13.1808      0.00000
     77      13.4080      0.00000
     78      13.8817      0.00000
     79      13.9045      0.00000
     80      14.5891      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3905      2.00000
      9      -0.7713      2.00000
     10      -0.4114      2.00000
     11       0.1186      2.00000
     12       0.1929      2.00000
     13       0.4713      2.00000
     14       0.5385      2.00000
     15       0.6256      2.00000
     16       0.6448      2.00000
     17       0.7463      2.00000
     18       0.7593      2.00000
     19       0.9174      2.00000
     20       0.9575      2.00000
     21       0.9906      2.00000
     22       0.9964      2.00000
     23       1.1016      2.00000
     24       1.1665      2.00000
     25       1.1893      2.00000
     26       1.3318      2.00000
     27       1.3522      2.00000
     28       1.5586      2.00000
     29       1.6156      2.00000
     30       1.7295      2.00000
     31       1.7663      2.00000
     32       1.8280      2.00000
     33       1.9608      2.00000
     34       2.0183      2.00000
     35       2.0479      2.00000
     36       2.1482      2.00000
     37       2.2760      2.00000
     38       2.2796      2.00000
     39       2.3612      2.00000
     40       2.5133      2.00000
     41       2.5541      2.00000
     42       2.6431      2.00000
     43       2.7071      2.00000
     44       2.7410      2.00000
     45       2.7981      2.00000
     46       2.8934      2.00000
     47       2.9211      2.00000
     48       3.0112      2.00000
     49       3.1060      2.00000
     50       3.1562      2.00000
     51       3.2179      2.00000
     52       3.3483      2.00000
     53       3.3715      2.00000
     54       3.5624      2.00000
     55       3.7818      2.00000
     56       3.8411      2.00000
     57       3.9853      2.00000
     58       4.2288      2.00000
     59       6.2104     -0.04143
     60       6.5041     -0.00314
     61       7.3880     -0.00000
     62       7.7851     -0.00000
     63       7.8865     -0.00000
     64       8.3509     -0.00000
     65       8.5539     -0.00000
     66       8.8059     -0.00000
     67       8.8310     -0.00000
     68       9.6414     -0.00000
     69      10.2092     -0.00000
     70      10.6291     -0.00000
     71      10.7675     -0.00000
     72      11.1142     -0.00000
     73      11.9450      0.00000
     74      12.2942      0.00000
     75      12.6537      0.00000
     76      13.1636      0.00000
     77      13.6196      0.00000
     78      13.9321      0.00000
     79      14.2710      0.00000
     80      14.6581      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9189      2.00000
      3     -39.7885      2.00000
      4     -39.6544      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5973      2.00000
      8      -0.9036      2.00000
      9      -0.3829      2.00000
     10      -0.0412      2.00000
     11       0.0625      2.00000
     12       0.4442      2.00000
     13       0.4979      2.00000
     14       0.5985      2.00000
     15       0.6950      2.00000
     16       0.7547      2.00000
     17       0.7591      2.00000
     18       0.8270      2.00000
     19       0.8896      2.00000
     20       1.0014      2.00000
     21       1.0378      2.00000
     22       1.1590      2.00000
     23       1.2358      2.00000
     24       1.2895      2.00000
     25       1.3770      2.00000
     26       1.4150      2.00000
     27       1.4922      2.00000
     28       1.6127      2.00000
     29       1.6567      2.00000
     30       1.7166      2.00000
     31       1.7866      2.00000
     32       1.8385      2.00000
     33       1.9246      2.00000
     34       1.9782      2.00000
     35       2.0315      2.00000
     36       2.0723      2.00000
     37       2.2166      2.00000
     38       2.2522      2.00000
     39       2.2892      2.00000
     40       2.4048      2.00000
     41       2.5530      2.00000
     42       2.6230      2.00000
     43       2.6330      2.00000
     44       2.7096      2.00000
     45       2.7380      2.00000
     46       2.8311      2.00000
     47       2.8675      2.00000
     48       2.9036      2.00000
     49       2.9348      2.00000
     50       3.0332      2.00000
     51       3.1333      2.00000
     52       3.3034      2.00000
     53       3.3416      2.00000
     54       3.4868      2.00000
     55       3.5697      2.00000
     56       3.7503      2.00000
     57       4.4142      2.00000
     58       5.2134      2.00000
     59       5.2886      2.00000
     60       5.9505      1.53709
     61       7.0535     -0.00000
     62       7.1837     -0.00000
     63       7.3394     -0.00000
     64       7.4429     -0.00000
     65       8.1660     -0.00000
     66       8.4074     -0.00000
     67       8.6194     -0.00000
     68       9.0590     -0.00000
     69       9.3265     -0.00000
     70       9.8232     -0.00000
     71      10.7615     -0.00000
     72      10.9696     -0.00000
     73      11.2688     -0.00000
     74      11.5992      0.00000
     75      12.5182      0.00000
     76      13.0831      0.00000
     77      13.4140      0.00000
     78      13.6675      0.00000
     79      13.9109      0.00000
     80      14.1174      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3881      2.00000
      9      -0.0753      2.00000
     10       0.1040      2.00000
     11       0.1594      2.00000
     12       0.4560      2.00000
     13       0.4948      2.00000
     14       0.5517      2.00000
     15       0.6727      2.00000
     16       0.7823      2.00000
     17       0.9112      2.00000
     18       0.9425      2.00000
     19       1.1123      2.00000
     20       1.1661      2.00000
     21       1.2158      2.00000
     22       1.2398      2.00000
     23       1.3282      2.00000
     24       1.4109      2.00000
     25       1.4421      2.00000
     26       1.4867      2.00000
     27       1.5609      2.00000
     28       1.6207      2.00000
     29       1.6619      2.00000
     30       1.7168      2.00000
     31       1.8275      2.00000
     32       1.9128      2.00000
     33       1.9614      2.00000
     34       2.0331      2.00000
     35       2.1053      2.00000
     36       2.1196      2.00000
     37       2.1984      2.00000
     38       2.2983      2.00000
     39       2.3116      2.00000
     40       2.3549      2.00000
     41       2.4677      2.00000
     42       2.5276      2.00000
     43       2.5538      2.00000
     44       2.6270      2.00000
     45       2.6970      2.00000
     46       2.7382      2.00000
     47       2.8107      2.00000
     48       2.8361      2.00000
     49       2.9498      2.00000
     50       3.0730      2.00000
     51       3.1812      2.00000
     52       3.2834      2.00000
     53       3.3409      2.00000
     54       3.4683      2.00000
     55       3.5876      2.00000
     56       3.7855      2.00000
     57       4.0860      2.00000
     58       4.2973      2.00000
     59       5.4651      2.00065
     60       5.8570      1.98267
     61       6.0218      0.96867
     62       6.3356     -0.04729
     63       6.7291     -0.00001
     64       7.1204     -0.00000
     65       7.6057     -0.00000
     66       8.0674     -0.00000
     67       8.3357     -0.00000
     68       8.9225     -0.00000
     69       9.4350     -0.00000
     70      10.2286     -0.00000
     71      10.4157     -0.00000
     72      10.5652     -0.00000
     73      11.3133     -0.00000
     74      11.8267      0.00000
     75      12.1618      0.00000
     76      12.9319      0.00000
     77      13.0097      0.00000
     78      13.6844      0.00000
     79      14.0057      0.00000
     80      14.6383      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4447      2.00000
      9      -0.1481      2.00000
     10       0.0496      2.00000
     11       0.1352      2.00000
     12       0.4967      2.00000
     13       0.5325      2.00000
     14       0.6320      2.00000
     15       0.7144      2.00000
     16       0.8973      2.00000
     17       0.9216      2.00000
     18       1.0346      2.00000
     19       1.0750      2.00000
     20       1.1374      2.00000
     21       1.1803      2.00000
     22       1.2559      2.00000
     23       1.2963      2.00000
     24       1.3921      2.00000
     25       1.4146      2.00000
     26       1.4573      2.00000
     27       1.5062      2.00000
     28       1.6573      2.00000
     29       1.6977      2.00000
     30       1.7423      2.00000
     31       1.7954      2.00000
     32       1.8727      2.00000
     33       1.9121      2.00000
     34       2.0061      2.00000
     35       2.0781      2.00000
     36       2.1849      2.00000
     37       2.2112      2.00000
     38       2.2819      2.00000
     39       2.3493      2.00000
     40       2.3697      2.00000
     41       2.4479      2.00000
     42       2.5042      2.00000
     43       2.5518      2.00000
     44       2.6534      2.00000
     45       2.6902      2.00000
     46       2.7412      2.00000
     47       2.8086      2.00000
     48       2.8831      2.00000
     49       2.9064      2.00000
     50       3.1091      2.00000
     51       3.1640      2.00000
     52       3.2510      2.00000
     53       3.4760      2.00000
     54       3.5630      2.00000
     55       3.6000      2.00000
     56       3.8952      2.00000
     57       4.3399      2.00000
     58       4.8534      2.00000
     59       5.0007      2.00000
     60       5.2091      2.00000
     61       5.6147      2.01515
     62       5.8110      2.05685
     63       6.7213     -0.00001
     64       7.1816     -0.00000
     65       7.6949     -0.00000
     66       7.8722     -0.00000
     67       8.7017     -0.00000
     68       9.4897     -0.00000
     69       9.9534     -0.00000
     70      10.1313     -0.00000
     71      10.4731     -0.00000
     72      10.5875     -0.00000
     73      11.1461     -0.00000
     74      11.8124      0.00000
     75      12.2336      0.00000
     76      12.7443      0.00000
     77      13.5879      0.00000
     78      14.0620      0.00000
     79      14.3257      0.00000
     80      14.4629      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0777      2.00000
      9      -0.3682      2.00000
     10      -0.1164      2.00000
     11       0.2729      2.00000
     12       0.4391      2.00000
     13       0.5119      2.00000
     14       0.5452      2.00000
     15       0.6822      2.00000
     16       0.7841      2.00000
     17       0.8426      2.00000
     18       0.9182      2.00000
     19       0.9503      2.00000
     20       1.0510      2.00000
     21       1.0825      2.00000
     22       1.1708      2.00000
     23       1.2193      2.00000
     24       1.2686      2.00000
     25       1.3212      2.00000
     26       1.4133      2.00000
     27       1.4533      2.00000
     28       1.5497      2.00000
     29       1.6109      2.00000
     30       1.7700      2.00000
     31       1.8187      2.00000
     32       1.8434      2.00000
     33       1.9669      2.00000
     34       1.9971      2.00000
     35       2.0529      2.00000
     36       2.1046      2.00000
     37       2.1343      2.00000
     38       2.2083      2.00000
     39       2.3283      2.00000
     40       2.4285      2.00000
     41       2.4691      2.00000
     42       2.6037      2.00000
     43       2.6478      2.00000
     44       2.6806      2.00000
     45       2.7868      2.00000
     46       2.8186      2.00000
     47       2.8703      2.00000
     48       2.9237      2.00000
     49       2.9758      2.00000
     50       3.0810      2.00000
     51       3.1285      2.00000
     52       3.2375      2.00000
     53       3.3187      2.00000
     54       3.4502      2.00000
     55       3.6237      2.00000
     56       4.0749      2.00000
     57       4.2768      2.00000
     58       5.1811      2.00000
     59       5.7433      2.06537
     60       5.9229      1.71289
     61       6.1149      0.27713
     62       6.5379     -0.00147
     63       6.7777     -0.00000
     64       7.2683     -0.00000
     65       7.6571     -0.00000
     66       8.3380     -0.00000
     67       9.3858     -0.00000
     68       9.5327     -0.00000
     69       9.9865     -0.00000
     70      10.1741     -0.00000
     71      11.3416     -0.00000
     72      11.4993      0.00000
     73      11.7675      0.00000
     74      11.9508      0.00000
     75      12.2739      0.00000
     76      12.7680      0.00000
     77      13.3529      0.00000
     78      13.6825      0.00000
     79      13.8334      0.00000
     80      14.2035      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.5538      2.00000
      9      -0.5544      2.00000
     10      -0.4655      2.00000
     11       0.2107      2.00000
     12       0.2375      2.00000
     13       0.4730      2.00000
     14       0.5261      2.00000
     15       0.5949      2.00000
     16       0.6335      2.00000
     17       0.6721      2.00000
     18       0.7966      2.00000
     19       0.9013      2.00000
     20       0.9464      2.00000
     21       0.9876      2.00000
     22       1.0139      2.00000
     23       1.1201      2.00000
     24       1.1597      2.00000
     25       1.2189      2.00000
     26       1.3856      2.00000
     27       1.4323      2.00000
     28       1.4870      2.00000
     29       1.5968      2.00000
     30       1.6395      2.00000
     31       1.7271      2.00000
     32       1.8693      2.00000
     33       1.8845      2.00000
     34       2.0150      2.00000
     35       2.1071      2.00000
     36       2.2023      2.00000
     37       2.2673      2.00000
     38       2.3440      2.00000
     39       2.3698      2.00000
     40       2.4401      2.00000
     41       2.5840      2.00000
     42       2.6772      2.00000
     43       2.7031      2.00000
     44       2.7348      2.00000
     45       2.8408      2.00000
     46       2.8644      2.00000
     47       2.8921      2.00000
     48       3.0552      2.00000
     49       3.0895      2.00000
     50       3.1646      2.00000
     51       3.2279      2.00000
     52       3.2341      2.00000
     53       3.5315      2.00000
     54       3.6141      2.00000
     55       3.6507      2.00000
     56       3.8466      2.00000
     57       3.9775      2.00000
     58       4.4782      2.00000
     59       5.6775      2.03686
     60       6.3604     -0.03606
     61       6.7042     -0.00001
     62       7.5072     -0.00000
     63       7.9753     -0.00000
     64       8.6845     -0.00000
     65       8.8771     -0.00000
     66       9.2115     -0.00000
     67       9.3721     -0.00000
     68       9.4733     -0.00000
     69       9.7856     -0.00000
     70      10.5187     -0.00000
     71      11.1846     -0.00000
     72      11.5393      0.00000
     73      12.0613      0.00000
     74      12.2439      0.00000
     75      13.0204      0.00000
     76      13.2470      0.00000
     77      13.2903      0.00000
     78      13.8516      0.00000
     79      14.5874      0.00000
     80      14.6671      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7890      2.00000
      4     -39.6547      2.00000
      5     -39.6540      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6095      2.00000
      9      -0.8271      2.00000
     10      -0.5717      2.00000
     11       0.0762      2.00000
     12       0.1510      2.00000
     13       0.3638      2.00000
     14       0.3909      2.00000
     15       0.5495      2.00000
     16       0.6411      2.00000
     17       0.7648      2.00000
     18       0.7898      2.00000
     19       0.8715      2.00000
     20       0.8753      2.00000
     21       0.9198      2.00000
     22       1.0155      2.00000
     23       1.0297      2.00000
     24       1.0754      2.00000
     25       1.2535      2.00000
     26       1.3093      2.00000
     27       1.3776      2.00000
     28       1.4757      2.00000
     29       1.6264      2.00000
     30       1.6705      2.00000
     31       1.7599      2.00000
     32       1.8343      2.00000
     33       1.9556      2.00000
     34       2.0137      2.00000
     35       2.1708      2.00000
     36       2.2024      2.00000
     37       2.3283      2.00000
     38       2.4244      2.00000
     39       2.4635      2.00000
     40       2.4699      2.00000
     41       2.5144      2.00000
     42       2.6298      2.00000
     43       2.6386      2.00000
     44       2.6562      2.00000
     45       2.8285      2.00000
     46       2.8382      2.00000
     47       2.9492      2.00000
     48       2.9514      2.00000
     49       2.9805      2.00000
     50       3.1912      2.00000
     51       3.2494      2.00000
     52       3.4581      2.00000
     53       3.5491      2.00000
     54       3.6519      2.00000
     55       3.9613      2.00000
     56       4.0656      2.00000
     57       4.2125      2.00000
     58       4.6007      2.00000
     59       5.8678      1.95304
     60       6.1214      0.24165
     61       6.6517     -0.00007
     62       7.3631     -0.00000
     63       7.9999     -0.00000
     64       8.2554     -0.00000
     65       8.6515     -0.00000
     66       9.1075     -0.00000
     67       9.1625     -0.00000
     68      10.9104     -0.00000
     69      11.4362     -0.00000
     70      11.6316      0.00000
     71      11.9453      0.00000
     72      12.3437      0.00000
     73      12.6224      0.00000
     74      13.1717      0.00000
     75      13.2054      0.00000
     76      13.3569      0.00000
     77      13.3991      0.00000
     78      13.8273      0.00000
     79      13.8481      0.00000
     80      14.0840      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6540      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3534      2.00000
      9      -0.6634      2.00000
     10      -0.5436      2.00000
     11       0.0564      2.00000
     12       0.1891      2.00000
     13       0.4670      2.00000
     14       0.5576      2.00000
     15       0.6245      2.00000
     16       0.6365      2.00000
     17       0.7488      2.00000
     18       0.7927      2.00000
     19       0.9112      2.00000
     20       0.9242      2.00000
     21       0.9529      2.00000
     22       0.9840      2.00000
     23       1.0973      2.00000
     24       1.1247      2.00000
     25       1.1780      2.00000
     26       1.3696      2.00000
     27       1.4297      2.00000
     28       1.5995      2.00000
     29       1.6137      2.00000
     30       1.6791      2.00000
     31       1.7219      2.00000
     32       1.7737      2.00000
     33       1.9341      2.00000
     34       2.0197      2.00000
     35       2.0769      2.00000
     36       2.1895      2.00000
     37       2.2116      2.00000
     38       2.2801      2.00000
     39       2.4564      2.00000
     40       2.4793      2.00000
     41       2.5376      2.00000
     42       2.6384      2.00000
     43       2.6825      2.00000
     44       2.7288      2.00000
     45       2.7483      2.00000
     46       2.8455      2.00000
     47       2.8887      2.00000
     48       2.9858      2.00000
     49       3.0664      2.00000
     50       3.1408      2.00000
     51       3.1583      2.00000
     52       3.3180      2.00000
     53       3.4385      2.00000
     54       3.5204      2.00000
     55       3.7632      2.00000
     56       3.8954      2.00000
     57       5.0236      2.00000
     58       5.1291      2.00000
     59       5.6079      2.01353
     60       6.0387      0.82664
     61       6.8572     -0.00000
     62       7.3556     -0.00000
     63       7.5105     -0.00000
     64       7.6962     -0.00000
     65       8.1157     -0.00000
     66       8.2652     -0.00000
     67       9.9435     -0.00000
     68      10.3733     -0.00000
     69      10.5465     -0.00000
     70      10.9985     -0.00000
     71      11.1592     -0.00000
     72      11.6628      0.00000
     73      12.3257      0.00000
     74      12.4655      0.00000
     75      12.9792      0.00000
     76      13.1660      0.00000
     77      13.6587      0.00000
     78      13.7927      0.00000
     79      14.0892      0.00000
     80      14.3562      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6544      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5974      2.00000
      8      -0.8954      2.00000
      9      -0.3649      2.00000
     10      -0.0529      2.00000
     11       0.0297      2.00000
     12       0.4720      2.00000
     13       0.4986      2.00000
     14       0.5818      2.00000
     15       0.7005      2.00000
     16       0.7347      2.00000
     17       0.7726      2.00000
     18       0.8302      2.00000
     19       0.8804      2.00000
     20       0.9990      2.00000
     21       1.0278      2.00000
     22       1.1370      2.00000
     23       1.2416      2.00000
     24       1.3375      2.00000
     25       1.3872      2.00000
     26       1.4605      2.00000
     27       1.5142      2.00000
     28       1.5570      2.00000
     29       1.5936      2.00000
     30       1.7502      2.00000
     31       1.8010      2.00000
     32       1.8721      2.00000
     33       1.9105      2.00000
     34       1.9660      2.00000
     35       2.0210      2.00000
     36       2.1283      2.00000
     37       2.1874      2.00000
     38       2.2273      2.00000
     39       2.2561      2.00000
     40       2.3273      2.00000
     41       2.5551      2.00000
     42       2.6094      2.00000
     43       2.6561      2.00000
     44       2.7235      2.00000
     45       2.7335      2.00000
     46       2.8463      2.00000
     47       2.8753      2.00000
     48       2.9146      2.00000
     49       2.9650      2.00000
     50       3.0456      2.00000
     51       3.1354      2.00000
     52       3.2747      2.00000
     53       3.3525      2.00000
     54       3.4139      2.00000
     55       3.5016      2.00000
     56       3.7136      2.00000
     57       4.6959      2.00000
     58       5.3834      2.00007
     59       5.6339      2.02047
     60       5.8392      2.02069
     61       6.6911     -0.00002
     62       6.9410     -0.00000
     63       7.1033     -0.00000
     64       7.2397     -0.00000
     65       8.4914     -0.00000
     66       8.5882     -0.00000
     67       8.7087     -0.00000
     68       8.9001     -0.00000
     69       9.2480     -0.00000
     70       9.6696     -0.00000
     71      10.8929     -0.00000
     72      11.0747     -0.00000
     73      11.2629     -0.00000
     74      11.7924      0.00000
     75      12.7495      0.00000
     76      13.0049      0.00000
     77      13.5216      0.00000
     78      13.7649      0.00000
     79      13.9948      0.00000
     80      14.4001      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3650      2.00000
      9      -0.1214      2.00000
     10       0.1015      2.00000
     11       0.1760      2.00000
     12       0.4640      2.00000
     13       0.5306      2.00000
     14       0.5892      2.00000
     15       0.6389      2.00000
     16       0.7458      2.00000
     17       0.9038      2.00000
     18       0.9495      2.00000
     19       1.0641      2.00000
     20       1.1529      2.00000
     21       1.1909      2.00000
     22       1.2450      2.00000
     23       1.3175      2.00000
     24       1.3948      2.00000
     25       1.4845      2.00000
     26       1.5099      2.00000
     27       1.5402      2.00000
     28       1.6247      2.00000
     29       1.7185      2.00000
     30       1.7391      2.00000
     31       1.8368      2.00000
     32       1.9065      2.00000
     33       1.9694      2.00000
     34       2.0405      2.00000
     35       2.1120      2.00000
     36       2.1738      2.00000
     37       2.2553      2.00000
     38       2.3055      2.00000
     39       2.3182      2.00000
     40       2.3816      2.00000
     41       2.4316      2.00000
     42       2.5189      2.00000
     43       2.5620      2.00000
     44       2.5818      2.00000
     45       2.6368      2.00000
     46       2.7037      2.00000
     47       2.7600      2.00000
     48       2.8039      2.00000
     49       2.9558      2.00000
     50       3.0457      2.00000
     51       3.1402      2.00000
     52       3.1805      2.00000
     53       3.3329      2.00000
     54       3.5336      2.00000
     55       3.5994      2.00000
     56       3.9550      2.00000
     57       4.1907      2.00000
     58       4.4137      2.00000
     59       5.2733      2.00000
     60       5.8312      2.03372
     61       5.9555      1.50182
     62       6.2610     -0.07088
     63       6.4669     -0.00672
     64       6.9959     -0.00000
     65       7.8659     -0.00000
     66       8.0314     -0.00000
     67       8.8211     -0.00000
     68       9.1415     -0.00000
     69       9.7233     -0.00000
     70       9.8549     -0.00000
     71      10.3705     -0.00000
     72      10.5783     -0.00000
     73      10.9605     -0.00000
     74      11.8510      0.00000
     75      12.4533      0.00000
     76      12.6205      0.00000
     77      13.3256      0.00000
     78      13.7215      0.00000
     79      14.3616      0.00000
     80      14.4527      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4371      2.00000
      9      -0.1381      2.00000
     10      -0.0153      2.00000
     11       0.1328      2.00000
     12       0.5477      2.00000
     13       0.5911      2.00000
     14       0.6471      2.00000
     15       0.7793      2.00000
     16       0.8041      2.00000
     17       0.9254      2.00000
     18       0.9670      2.00000
     19       1.0476      2.00000
     20       1.1095      2.00000
     21       1.1499      2.00000
     22       1.2421      2.00000
     23       1.3401      2.00000
     24       1.3866      2.00000
     25       1.4071      2.00000
     26       1.4907      2.00000
     27       1.5873      2.00000
     28       1.6692      2.00000
     29       1.7194      2.00000
     30       1.7682      2.00000
     31       1.8221      2.00000
     32       1.8871      2.00000
     33       1.8996      2.00000
     34       2.0039      2.00000
     35       2.1265      2.00000
     36       2.1813      2.00000
     37       2.2202      2.00000
     38       2.2452      2.00000
     39       2.3057      2.00000
     40       2.3946      2.00000
     41       2.4529      2.00000
     42       2.4905      2.00000
     43       2.5522      2.00000
     44       2.6208      2.00000
     45       2.6437      2.00000
     46       2.7266      2.00000
     47       2.7724      2.00000
     48       2.8238      2.00000
     49       2.8768      2.00000
     50       3.1340      2.00000
     51       3.1433      2.00000
     52       3.3441      2.00000
     53       3.4713      2.00000
     54       3.5757      2.00000
     55       3.6067      2.00000
     56       3.7747      2.00000
     57       4.3619      2.00000
     58       4.5598      2.00000
     59       5.1227      2.00000
     60       5.6179      2.01595
     61       5.7598      2.06967
     62       6.4036     -0.02006
     63       6.4960     -0.00374
     64       6.8327     -0.00000
     65       6.9973     -0.00000
     66       7.3780     -0.00000
     67       9.1056     -0.00000
     68       9.3479     -0.00000
     69      10.2420     -0.00000
     70      10.5560     -0.00000
     71      10.9148     -0.00000
     72      11.4105     -0.00000
     73      11.5610      0.00000
     74      11.8331      0.00000
     75      12.1758      0.00000
     76      12.6636      0.00000
     77      12.9318      0.00000
     78      13.0934      0.00000
     79      13.9062      0.00000
     80      14.2293      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.1058      2.00000
      9      -0.3081      2.00000
     10      -0.1696      2.00000
     11       0.2356      2.00000
     12       0.4824      2.00000
     13       0.5496      2.00000
     14       0.5778      2.00000
     15       0.6563      2.00000
     16       0.7734      2.00000
     17       0.8575      2.00000
     18       0.9305      2.00000
     19       1.0192      2.00000
     20       1.0920      2.00000
     21       1.1222      2.00000
     22       1.1665      2.00000
     23       1.1921      2.00000
     24       1.2201      2.00000
     25       1.2534      2.00000
     26       1.3562      2.00000
     27       1.4843      2.00000
     28       1.5495      2.00000
     29       1.6394      2.00000
     30       1.6860      2.00000
     31       1.7896      2.00000
     32       1.8396      2.00000
     33       1.9686      2.00000
     34       2.0381      2.00000
     35       2.1014      2.00000
     36       2.1626      2.00000
     37       2.2196      2.00000
     38       2.2418      2.00000
     39       2.3054      2.00000
     40       2.3385      2.00000
     41       2.5259      2.00000
     42       2.6183      2.00000
     43       2.6442      2.00000
     44       2.7192      2.00000
     45       2.7330      2.00000
     46       2.7778      2.00000
     47       2.8194      2.00000
     48       2.9409      2.00000
     49       2.9962      2.00000
     50       3.0649      2.00000
     51       3.1381      2.00000
     52       3.2041      2.00000
     53       3.4254      2.00000
     54       3.4647      2.00000
     55       3.5652      2.00000
     56       3.7170      2.00000
     57       4.5289      2.00000
     58       4.7854      2.00000
     59       5.4086      2.00014
     60       5.9588      1.47760
     61       6.4785     -0.00535
     62       6.8099     -0.00000
     63       7.0899     -0.00000
     64       7.3877     -0.00000
     65       8.0497     -0.00000
     66       8.6685     -0.00000
     67       8.7531     -0.00000
     68       9.3393     -0.00000
     69       9.8313     -0.00000
     70       9.9221     -0.00000
     71      10.6627     -0.00000
     72      11.1685     -0.00000
     73      11.8800      0.00000
     74      12.1918      0.00000
     75      12.6549      0.00000
     76      13.2276      0.00000
     77      13.9550      0.00000
     78      14.0429      0.00000
     79      14.3617      0.00000
     80      14.4091      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.5457      2.00000
      9      -0.6249      2.00000
     10      -0.3827      2.00000
     11       0.1917      2.00000
     12       0.2339      2.00000
     13       0.4364      2.00000
     14       0.5272      2.00000
     15       0.5859      2.00000
     16       0.6327      2.00000
     17       0.6913      2.00000
     18       0.8074      2.00000
     19       0.9150      2.00000
     20       0.9440      2.00000
     21       0.9829      2.00000
     22       1.0463      2.00000
     23       1.1317      2.00000
     24       1.1605      2.00000
     25       1.2498      2.00000
     26       1.2716      2.00000
     27       1.3831      2.00000
     28       1.5926      2.00000
     29       1.6430      2.00000
     30       1.7087      2.00000
     31       1.7591      2.00000
     32       1.8194      2.00000
     33       1.8665      2.00000
     34       1.9906      2.00000
     35       2.0316      2.00000
     36       2.1202      2.00000
     37       2.3064      2.00000
     38       2.3451      2.00000
     39       2.4458      2.00000
     40       2.5131      2.00000
     41       2.5247      2.00000
     42       2.6058      2.00000
     43       2.6730      2.00000
     44       2.7000      2.00000
     45       2.7926      2.00000
     46       2.8436      2.00000
     47       2.9028      2.00000
     48       3.0486      2.00000
     49       3.0925      2.00000
     50       3.2116      2.00000
     51       3.2277      2.00000
     52       3.2983      2.00000
     53       3.4016      2.00000
     54       3.5877      2.00000
     55       3.7930      2.00000
     56       3.8157      2.00000
     57       3.9739      2.00000
     58       4.7527      2.00000
     59       5.6583      2.02898
     60       6.5542     -0.00099
     61       6.8502     -0.00000
     62       7.4471     -0.00000
     63       7.8252     -0.00000
     64       7.8851     -0.00000
     65       8.4199     -0.00000
     66       9.0480     -0.00000
     67       9.2248     -0.00000
     68       9.9822     -0.00000
     69      10.4724     -0.00000
     70      10.7258     -0.00000
     71      11.1319     -0.00000
     72      11.4729     -0.00000
     73      12.1332      0.00000
     74      12.6598      0.00000
     75      13.0007      0.00000
     76      13.3568      0.00000
     77      13.4996      0.00000
     78      13.9014      0.00000
     79      14.3184      0.00000
     80      14.5352      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6547      2.00000
      5     -39.6540      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6035      2.00000
      9      -0.7831      2.00000
     10      -0.6565      2.00000
     11       0.0692      2.00000
     12       0.1947      2.00000
     13       0.3609      2.00000
     14       0.3876      2.00000
     15       0.5668      2.00000
     16       0.6144      2.00000
     17       0.7275      2.00000
     18       0.7874      2.00000
     19       0.8479      2.00000
     20       0.9098      2.00000
     21       0.9256      2.00000
     22       1.0655      2.00000
     23       1.1149      2.00000
     24       1.1519      2.00000
     25       1.2437      2.00000
     26       1.2594      2.00000
     27       1.2698      2.00000
     28       1.4701      2.00000
     29       1.6021      2.00000
     30       1.6178      2.00000
     31       1.7480      2.00000
     32       1.7890      2.00000
     33       1.9126      2.00000
     34       2.1247      2.00000
     35       2.1585      2.00000
     36       2.3442      2.00000
     37       2.3578      2.00000
     38       2.3914      2.00000
     39       2.4376      2.00000
     40       2.4692      2.00000
     41       2.5365      2.00000
     42       2.6329      2.00000
     43       2.6667      2.00000
     44       2.7282      2.00000
     45       2.7984      2.00000
     46       2.8480      2.00000
     47       2.8957      2.00000
     48       2.9426      2.00000
     49       3.0397      2.00000
     50       3.1742      2.00000
     51       3.2237      2.00000
     52       3.3973      2.00000
     53       3.5897      2.00000
     54       3.6400      2.00000
     55       3.9519      2.00000
     56       4.0602      2.00000
     57       4.2327      2.00000
     58       4.4592      2.00000
     59       5.6794      2.03767
     60       6.2405     -0.06638
     61       6.6932     -0.00002
     62       7.5151     -0.00000
     63       7.8822     -0.00000
     64       8.1417     -0.00000
     65       8.8065     -0.00000
     66       9.3741     -0.00000
     67       9.5900     -0.00000
     68      10.7343     -0.00000
     69      10.8979     -0.00000
     70      11.4729     -0.00000
     71      11.9778      0.00000
     72      12.0743      0.00000
     73      12.5086      0.00000
     74      12.8917      0.00000
     75      13.0054      0.00000
     76      13.2834      0.00000
     77      13.4350      0.00000
     78      13.8941      0.00000
     79      14.0563      0.00000
     80      14.3376      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3856      2.00000
      9      -0.7309      2.00000
     10      -0.4720      2.00000
     11       0.1217      2.00000
     12       0.1895      2.00000
     13       0.4799      2.00000
     14       0.5496      2.00000
     15       0.6320      2.00000
     16       0.6382      2.00000
     17       0.7501      2.00000
     18       0.7699      2.00000
     19       0.9295      2.00000
     20       0.9347      2.00000
     21       0.9529      2.00000
     22       0.9834      2.00000
     23       1.1193      2.00000
     24       1.1619      2.00000
     25       1.1827      2.00000
     26       1.3688      2.00000
     27       1.3802      2.00000
     28       1.5157      2.00000
     29       1.6175      2.00000
     30       1.6319      2.00000
     31       1.7944      2.00000
     32       1.8428      2.00000
     33       1.9608      2.00000
     34       1.9883      2.00000
     35       2.1634      2.00000
     36       2.2039      2.00000
     37       2.2220      2.00000
     38       2.2565      2.00000
     39       2.3061      2.00000
     40       2.5353      2.00000
     41       2.5748      2.00000
     42       2.6248      2.00000
     43       2.6964      2.00000
     44       2.7423      2.00000
     45       2.8143      2.00000
     46       2.8974      2.00000
     47       2.9571      2.00000
     48       3.0047      2.00000
     49       3.1134      2.00000
     50       3.1560      2.00000
     51       3.1943      2.00000
     52       3.3118      2.00000
     53       3.4019      2.00000
     54       3.5567      2.00000
     55       3.7428      2.00000
     56       3.9004      2.00000
     57       4.0337      2.00000
     58       4.2861      2.00000
     59       6.2346     -0.06342
     60       6.6620     -0.00005
     61       7.1168     -0.00000
     62       7.3112     -0.00000
     63       8.0045     -0.00000
     64       8.2314     -0.00000
     65       8.3851     -0.00000
     66       8.7903     -0.00000
     67       9.5566     -0.00000
     68       9.8245     -0.00000
     69      10.1318     -0.00000
     70      10.3409     -0.00000
     71      10.8604     -0.00000
     72      11.3360     -0.00000
     73      12.0531      0.00000
     74      12.2032      0.00000
     75      12.6326      0.00000
     76      13.1370      0.00000
     77      13.5483      0.00000
     78      13.7426      0.00000
     79      14.3170      0.00000
     80      14.6185      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5973      2.00000
      8      -0.9100      2.00000
      9      -0.4528      2.00000
     10       0.0460      2.00000
     11       0.0953      2.00000
     12       0.3983      2.00000
     13       0.4995      2.00000
     14       0.6481      2.00000
     15       0.6730      2.00000
     16       0.7392      2.00000
     17       0.7796      2.00000
     18       0.8196      2.00000
     19       0.9071      2.00000
     20       1.0197      2.00000
     21       1.0463      2.00000
     22       1.1231      2.00000
     23       1.2307      2.00000
     24       1.2716      2.00000
     25       1.2972      2.00000
     26       1.3779      2.00000
     27       1.4633      2.00000
     28       1.6734      2.00000
     29       1.6988      2.00000
     30       1.7857      2.00000
     31       1.8225      2.00000
     32       1.8546      2.00000
     33       1.9098      2.00000
     34       1.9715      2.00000
     35       2.0000      2.00000
     36       2.0286      2.00000
     37       2.2382      2.00000
     38       2.2955      2.00000
     39       2.3477      2.00000
     40       2.4819      2.00000
     41       2.5194      2.00000
     42       2.5716      2.00000
     43       2.6872      2.00000
     44       2.7083      2.00000
     45       2.7418      2.00000
     46       2.7607      2.00000
     47       2.8551      2.00000
     48       2.8807      2.00000
     49       2.9131      2.00000
     50       3.0727      2.00000
     51       3.1655      2.00000
     52       3.3300      2.00000
     53       3.3460      2.00000
     54       3.5861      2.00000
     55       3.7510      2.00000
     56       3.8223      2.00000
     57       4.0217      2.00000
     58       4.6256      2.00000
     59       4.8206      2.00000
     60       6.5738     -0.00061
     61       7.0529     -0.00000
     62       7.5066     -0.00000
     63       7.6233     -0.00000
     64       7.8438     -0.00000
     65       8.0307     -0.00000
     66       8.6832     -0.00000
     67       8.9088     -0.00000
     68       9.1859     -0.00000
     69       9.5745     -0.00000
     70       9.5986     -0.00000
     71       9.8018     -0.00000
     72      10.0884     -0.00000
     73      11.4926      0.00000
     74      11.8005      0.00000
     75      11.8790      0.00000
     76      12.9955      0.00000
     77      13.3882      0.00000
     78      13.9821      0.00000
     79      14.2157      0.00000
     80      14.5751      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3609      2.00000
      9      -0.1217      2.00000
     10       0.1065      2.00000
     11       0.1557      2.00000
     12       0.4169      2.00000
     13       0.5376      2.00000
     14       0.6094      2.00000
     15       0.6925      2.00000
     16       0.7705      2.00000
     17       0.8948      2.00000
     18       0.9368      2.00000
     19       1.0652      2.00000
     20       1.1191      2.00000
     21       1.1820      2.00000
     22       1.2134      2.00000
     23       1.3413      2.00000
     24       1.3939      2.00000
     25       1.4467      2.00000
     26       1.5064      2.00000
     27       1.6570      2.00000
     28       1.7004      2.00000
     29       1.7191      2.00000
     30       1.7381      2.00000
     31       1.8340      2.00000
     32       1.8729      2.00000
     33       1.9330      2.00000
     34       2.0083      2.00000
     35       2.1226      2.00000
     36       2.1617      2.00000
     37       2.2528      2.00000
     38       2.2778      2.00000
     39       2.3457      2.00000
     40       2.3955      2.00000
     41       2.4354      2.00000
     42       2.5275      2.00000
     43       2.5706      2.00000
     44       2.5935      2.00000
     45       2.6409      2.00000
     46       2.6793      2.00000
     47       2.7271      2.00000
     48       2.7919      2.00000
     49       2.8750      2.00000
     50       3.0754      2.00000
     51       3.1245      2.00000
     52       3.1773      2.00000
     53       3.2238      2.00000
     54       3.4875      2.00000
     55       3.5978      2.00000
     56       3.9582      2.00000
     57       4.6216      2.00000
     58       4.6998      2.00000
     59       5.1207      2.00000
     60       5.6446      2.02396
     61       5.7737      2.07091
     62       6.0872      0.45201
     63       6.3834     -0.02686
     64       6.9249     -0.00000
     65       7.6593     -0.00000
     66       8.4568     -0.00000
     67       9.0001     -0.00000
     68       9.3600     -0.00000
     69       9.4714     -0.00000
     70       9.8165     -0.00000
     71      10.6681     -0.00000
     72      11.0212     -0.00000
     73      11.3713     -0.00000
     74      11.7072      0.00000
     75      12.0774      0.00000
     76      12.4087      0.00000
     77      12.7581      0.00000
     78      13.6193      0.00000
     79      13.9668      0.00000
     80      14.1634      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4256      2.00000
      9      -0.1867      2.00000
     10       0.0409      2.00000
     11       0.1403      2.00000
     12       0.5291      2.00000
     13       0.5865      2.00000
     14       0.6790      2.00000
     15       0.7383      2.00000
     16       0.7960      2.00000
     17       0.8774      2.00000
     18       0.9532      2.00000
     19       1.0901      2.00000
     20       1.1084      2.00000
     21       1.1996      2.00000
     22       1.2733      2.00000
     23       1.2944      2.00000
     24       1.3641      2.00000
     25       1.4126      2.00000
     26       1.4655      2.00000
     27       1.5512      2.00000
     28       1.6668      2.00000
     29       1.7417      2.00000
     30       1.7724      2.00000
     31       1.8304      2.00000
     32       1.8482      2.00000
     33       1.9594      2.00000
     34       2.0586      2.00000
     35       2.0931      2.00000
     36       2.1311      2.00000
     37       2.2419      2.00000
     38       2.2784      2.00000
     39       2.2866      2.00000
     40       2.4365      2.00000
     41       2.4751      2.00000
     42       2.4765      2.00000
     43       2.5534      2.00000
     44       2.6240      2.00000
     45       2.6494      2.00000
     46       2.7037      2.00000
     47       2.7885      2.00000
     48       2.8034      2.00000
     49       2.8804      2.00000
     50       3.0904      2.00000
     51       3.1656      2.00000
     52       3.2500      2.00000
     53       3.4823      2.00000
     54       3.5613      2.00000
     55       3.6531      2.00000
     56       4.0597      2.00000
     57       4.5099      2.00000
     58       4.5612      2.00000
     59       4.8236      2.00000
     60       5.1699      2.00000
     61       5.6559      2.02803
     62       6.1371      0.16430
     63       6.4037     -0.02003
     64       7.5622     -0.00000
     65       7.7369     -0.00000
     66       8.0287     -0.00000
     67       8.4153     -0.00000
     68       8.9552     -0.00000
     69       9.6263     -0.00000
     70      10.2613     -0.00000
     71      10.3975     -0.00000
     72      11.2694     -0.00000
     73      11.6909      0.00000
     74      12.2893      0.00000
     75      12.4721      0.00000
     76      12.6268      0.00000
     77      13.3607      0.00000
     78      13.6102      0.00000
     79      14.1723      0.00000
     80      14.3132      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0450      2.00000
      9      -0.4638      2.00000
     10      -0.0793      2.00000
     11       0.3277      2.00000
     12       0.4448      2.00000
     13       0.5154      2.00000
     14       0.5668      2.00000
     15       0.6454      2.00000
     16       0.7486      2.00000
     17       0.8182      2.00000
     18       0.9208      2.00000
     19       0.9913      2.00000
     20       1.0223      2.00000
     21       1.0949      2.00000
     22       1.1842      2.00000
     23       1.2087      2.00000
     24       1.3171      2.00000
     25       1.3382      2.00000
     26       1.3590      2.00000
     27       1.4392      2.00000
     28       1.5044      2.00000
     29       1.6017      2.00000
     30       1.7669      2.00000
     31       1.8410      2.00000
     32       1.8619      2.00000
     33       1.9298      2.00000
     34       1.9865      2.00000
     35       2.0415      2.00000
     36       2.1207      2.00000
     37       2.1930      2.00000
     38       2.2569      2.00000
     39       2.3283      2.00000
     40       2.4484      2.00000
     41       2.4922      2.00000
     42       2.5086      2.00000
     43       2.6496      2.00000
     44       2.6809      2.00000
     45       2.7615      2.00000
     46       2.8009      2.00000
     47       2.8499      2.00000
     48       2.9272      2.00000
     49       3.0219      2.00000
     50       3.0812      2.00000
     51       3.1486      2.00000
     52       3.2211      2.00000
     53       3.3246      2.00000
     54       3.4855      2.00000
     55       3.6494      2.00000
     56       3.8485      2.00000
     57       4.7570      2.00000
     58       5.2101      2.00000
     59       5.3383      2.00002
     60       5.5978      2.01138
     61       6.3412     -0.04469
     62       6.5421     -0.00133
     63       7.2858     -0.00000
     64       7.3916     -0.00000
     65       7.6603     -0.00000
     66       8.0586     -0.00000
     67       8.8546     -0.00000
     68       9.6491     -0.00000
     69       9.9761     -0.00000
     70      10.4956     -0.00000
     71      10.6812     -0.00000
     72      11.0097     -0.00000
     73      11.3040     -0.00000
     74      12.4671      0.00000
     75      13.0250      0.00000
     76      13.2995      0.00000
     77      13.5953      0.00000
     78      14.1279      0.00000
     79      14.2270      0.00000
     80      14.8606      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.4835      2.00000
      9      -0.7353      2.00000
     10      -0.3588      2.00000
     11       0.1635      2.00000
     12       0.2213      2.00000
     13       0.4637      2.00000
     14       0.5337      2.00000
     15       0.6084      2.00000
     16       0.6336      2.00000
     17       0.6633      2.00000
     18       0.8230      2.00000
     19       0.8788      2.00000
     20       0.9360      2.00000
     21       0.9775      2.00000
     22       0.9956      2.00000
     23       1.1436      2.00000
     24       1.1818      2.00000
     25       1.2466      2.00000
     26       1.3208      2.00000
     27       1.4350      2.00000
     28       1.5484      2.00000
     29       1.5951      2.00000
     30       1.6153      2.00000
     31       1.6894      2.00000
     32       1.8951      2.00000
     33       1.9623      2.00000
     34       2.0184      2.00000
     35       2.0931      2.00000
     36       2.1913      2.00000
     37       2.2575      2.00000
     38       2.3315      2.00000
     39       2.3538      2.00000
     40       2.4525      2.00000
     41       2.4724      2.00000
     42       2.6317      2.00000
     43       2.6731      2.00000
     44       2.7526      2.00000
     45       2.7773      2.00000
     46       2.8283      2.00000
     47       2.9647      2.00000
     48       2.9855      2.00000
     49       3.1162      2.00000
     50       3.1490      2.00000
     51       3.1974      2.00000
     52       3.3057      2.00000
     53       3.3796      2.00000
     54       3.6108      2.00000
     55       3.7762      2.00000
     56       3.8320      2.00000
     57       4.6204      2.00000
     58       5.1301      2.00000
     59       5.6745      2.03558
     60       6.1388      0.15679
     61       6.4421     -0.01063
     62       6.9213     -0.00000
     63       7.2593     -0.00000
     64       7.9378     -0.00000
     65       8.8950     -0.00000
     66       8.9884     -0.00000
     67       9.2217     -0.00000
     68       9.9813     -0.00000
     69      10.0519     -0.00000
     70      11.7007      0.00000
     71      11.9074      0.00000
     72      12.1197      0.00000
     73      12.2363      0.00000
     74      12.4588      0.00000
     75      12.8847      0.00000
     76      13.2877      0.00000
     77      13.5664      0.00000
     78      13.8130      0.00000
     79      13.9550      0.00000
     80      14.4580      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.021   0.011   0.029   0.010   0.007  -1.168  -0.015  -0.024  -0.040  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.071  -0.270   0.020  -0.182  -0.015  -1.057   0.224  -0.011   0.145  -0.068   0.013  -0.002   0.171   0.008   0.000
  0.029  -0.270   2.652   0.008  -0.312  -0.024   0.224  -0.696  -0.018   0.230   0.083  -0.036  -0.111  -0.021  -0.004   0.006
  0.010   0.020   0.008   2.942   0.016  -0.040  -0.011  -0.018  -1.105  -0.007  -0.020   0.004   0.011   0.004  -0.021  -0.000
  0.007  -0.182  -0.312   0.016   3.076  -0.014   0.145   0.230  -0.007  -1.015  -0.141   0.067   0.046  -0.008   0.019   0.008
 -1.168  -0.015  -0.024  -0.040  -0.014   1.221   0.018   0.020   0.066   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.015  -1.057   0.224  -0.011   0.145   0.018   0.977  -0.181   0.003  -0.109   0.062  -0.015  -0.007  -0.137  -0.007   0.000
 -0.024   0.224  -0.696  -0.018   0.230   0.020  -0.181   0.677   0.026  -0.159  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.040  -0.011  -0.018  -1.105  -0.007   0.066   0.003   0.026   1.166   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.014   0.145   0.230  -0.007  -1.015   0.018  -0.109  -0.159   0.001   0.906   0.131  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.068   0.083  -0.020  -0.141  -0.016   0.062  -0.091   0.020   0.131   2.091  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.002  -0.111   0.011   0.046   0.011  -0.007   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.019  -0.289  -0.007   0.002   0.012  -0.015   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.70: real time    1.71
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.59: real time    6.62
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   17.93: real time   17.98
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.71: real time   19.77

 eigenvalue-minimisations  :  8112
 total energy-change (2. order) :-0.1672925E-06  (-0.4525393E-07)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0498562 magnetization 

 Broyden mixing:
  rms(total) = 0.14453E-03    rms(broyden)= 0.14453E-03
  rms(prec ) = 0.17276E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4728
  2.7014  2.3917  2.3917  1.0902  0.8491  0.9498  0.9498  0.9657  0.9657

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.72151079
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48595162
  PAW double counting   =      9484.60216810    -9412.50382928
  entropy T*S    EENTRO =         0.00303840
  eigenvalues    EBANDS =      -336.80473621
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87189470 eV

  energy without entropy =      -49.87493310  energy(sigma->0) =      -49.87290750
002732361  0.115203624  0.002567299
    -2.321586599 -0.104372098  7.154389757    -0.005192006 -0.016818405  0.137844173

  length of vectors
     4.103903010  9.629594234  7.522363370     0.275421696  0.115264617  0.138963418


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.363E+01 -.157E+03 0.267E+02   0.380E+01 0.160E+03 -.270E+02   -.165E+00 -.283E+01 0.282E+00   0.155E-04 -.234E-05 -.673E-04
   0.364E+01 0.157E+03 -.267E+02   -.381E+01 -.160E+03 0.270E+02   0.164E+00 0.283E+01 -.282E+00   -.723E-05 0.190E-05 0.647E-04
   0.295E+01 0.145E+03 0.689E+01   -.305E+01 -.146E+03 -.672E+01   0.103E+00 0.129E+01 -.167E+00   -.333E-04 0.180E-03 -.396E-04
   -.483E-01 -.673E+02 -.416E+02   0.561E-01 0.669E+02 0.424E+02   -.754E-02 0.339E+00 -.839E+00   -.485E-04 -.588E-03 0.214E-03
   0.616E+01 0.969E+02 -.969E+02   -.622E+01 -.981E+02 0.983E+02   0.682E-01 0.126E+01 -.139E+01   -.299E-05 0.421E-03 -.508E-03
   0.134E-02 -.120E-01 0.659E-03   -.144E-02 0.118E-01 -.347E-03   0.591E-04 0.214E-03 -.455E-03   0.795E-06 0.568E-06 0.487E-05
   -.616E+01 -.969E+02 0.968E+02   0.623E+01 0.982E+02 -.982E+02   -.677E-01 -.126E+01 0.139E+01   -.103E-05 -.422E-03 0.516E-03
   -.295E+01 -.145E+03 -.687E+01   0.305E+01 0.146E+03 0.670E+01   -.103E+00 -.129E+01 0.167E+00   0.393E-04 -.177E-03 0.307E-04
   0.608E-01 0.672E+02 0.416E+02   -.685E-01 -.669E+02 -.424E+02   0.697E-02 -.337E+00 0.839E+00   0.636E-04 0.575E-03 -.216E-03
   0.208E-02 0.207E-01 -.798E-02   -.205E-02 -.206E-01 0.767E-02   0.119E-03 -.354E-03 0.380E-03   -.244E-06 -.132E-05 0.885E-07
   0.898E+00 0.969E+01 -.280E+02   -.904E+00 -.950E+01 0.279E+02   0.645E-02 -.191E+00 0.102E+00   0.676E-06 -.748E-04 -.789E-04
   -.912E+00 -.969E+01 0.280E+02   0.918E+00 0.950E+01 -.279E+02   -.610E-02 0.191E+00 -.103E+00   -.139E-05 0.760E-04 0.786E-04
   0.784E+00 -.883E+01 -.207E+02   -.741E+00 0.887E+01 0.205E+02   -.432E-01 -.477E-01 0.275E+00   -.385E-05 -.574E-04 0.638E-04
   -.165E+01 -.620E+02 0.411E+01   0.165E+01 0.619E+02 -.437E+01   0.444E-02 0.724E-01 0.254E+00   -.257E-04 -.953E-04 -.588E-05
   -.793E+00 0.886E+01 0.207E+02   0.750E+00 -.891E+01 -.205E+02   0.437E-01 0.470E-01 -.275E+00   0.372E-05 0.574E-04 -.630E-04
   0.166E+01 0.620E+02 -.410E+01   -.165E+01 -.619E+02 0.436E+01   -.448E-02 -.726E-01 -.254E+00   0.256E-04 0.953E-04 0.595E-05
 -----------------------------------------------------------------------------------------------
   -.205E-03 -.169E-03 -.278E-05   0.178E-13 -.711E-13 -.728E-13   0.176E-03 0.107E-02 0.452E-04   0.250E-04 -.117E-04 0.560E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06904      6.36345      7.89376         0.000771     -0.008028     -0.011300
     -2.90850      8.14940      4.53368        -0.000975      0.007980      0.011339
     -1.04455      1.16092      4.62072         0.002848      0.005397      0.009234
     -2.90082      5.24037      2.40811         0.000206     -0.001571     -0.004157
      1.19279      1.83247      0.30919         0.001128     -0.000487      0.005642
     -3.08470      2.93036      5.68236        -0.000039      0.000013     -0.000140
     -0.94044      4.03219      4.04318        -0.000902      0.000546     -0.005563
     -1.02460      4.59949      6.88595        -0.002922     -0.005351     -0.009246
      3.15323      0.62404      1.94412        -0.000645      0.002278      0.004358
     -5.03884      7.30677      6.14259         0.000154     -0.000376      0.000069
     -0.84786      3.63621      1.26316         0.000659     -0.001603     -0.001502
      1.10003      2.22853      3.08923        -0.000573      0.001656      0.001380
     -0.84801      6.70332      3.45796        -0.000607     -0.003690      0.001670
     -2.99455      5.52942      5.14735        -0.000788      0.004562     -0.004622
     -2.80814      7.91393      1.81512         0.000907      0.003478     -0.001802
      0.92536      0.23096      6.35936         0.000776     -0.004805      0.004637
 -----------------------------------------------------------------------------------
    total drift:                               -0.000005      0.000886      0.000043


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87751393 eV

  energy  without entropy=      -49.88262181  energy(sigma->0) =      -49.87921656
 
 d Force = 0.8400168E-04[ 0.733E-04, 0.947E-04]  d Energy = 0.1000914E-03-0.161E-04
 d Force =-0.1581764E+00[-0.159E+00,-0.157E+00]  d Ewald  =-0.8997568E+00 0.742E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.04


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000100  1 .order   -0.000101   -0.000119   -0.000084
  (g-gl).g = 0.423E-05      g.g   = 0.845E-04  gl.gl    = 0.457E-03
 g(Force)  = 0.667E-04   g(Stress)= 0.178E-04 ortho     =-0.372E-06
 gamma     =   0.00926
 trial     =   1.41335
 opt step  =   4.70029  (harmonic =   4.70029) maximal distance =0.00334342
 next E    =   -49.877612   (d E  =  -0.00020)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.74
     LOOP+:  cpu time  125.53: real time  126.23


----------------------------------------- Iteration   10(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.57: real time   15.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.32: real time   17.40

 eigenvalue-minimisa     EDDAV:  cpu time   13.68: real time   13.72
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.71: real time   13.76

 eigenvalue-minimisations  :  5408
 total energy-change (2. order) :-0.5276524E-07  (-0.9551523E-08)
 number of electron     120.0000059 magnetization 
 augmentation part       42.0498562 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.93789783
  Ewald energy   TEWEN  =     -8368.08044969
  -1/2 Hartree   DENC   =     -1861.72273107
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48586870
  PAW double counting   =      9484.71607690    -9412.61598841
  entropy T*S    EENTRO =         0.00303845
  eigenvalues    EBANDS =      -336.80518278
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87189475 eV

  energy without entropy =      -49.87493320  energy(sigma->0) =      -49.87290757
-----------------------------




----------------------------------------- Iteration   10(   2)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.73: real time   17.81
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.48: real time   19.58

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.4316568E-03  (-0.4601301E-03)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0558682 magnetization 

 Broyden mixing:
  rms(total) = 0.76011E-02    rms(broyden)= 0.76009E-02
  rms(prec ) = 0.90541E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8288
  0.8288

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.57848202
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43646246
  PAW double counting   =      9485.67675664    -9413.60692050
  entropy T*S    EENTRO =         0.00495934
  eigenvalues    EBANDS =      -339.22566022
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87770155 eV

  energy without entropy =      -49.88266089  energy(sigma->0) =      -49.87935466
  23       1.1148      2.00000
     24       1.1995      2.00000
     25       1.2249      2.00000
     26       1.3046      2.00000
     27       1.3351      2.00000
     28       1.5947      2.00000
     29       1.6678      2.00000
     30       1.7258      2.00000
     31       1.7612      2.00000
     32       1.8063      2.00000
     33       1.9422      2.00000
     34       1.9514      2.00000
     35       2.1688      2.00000
     36       2.1792      2.00000
     37       2.2850      2.00000
     38       2.3071      2.00000
     39       2.4464      2.00000
     40       2.5447      2.00000
     41       2.5954      2.00000
     42       2.6391      2.00000
     43       2.7225      2.00000
     44       2.8898      2.00000
     45       2.9194      2.00000
     46       2.9212      2.00000
     47       2.9930      2.00000
     48       3.0431      2.00000
     49       3.1340      2.00000
     50       3.1673      2.00000
     51       3.3408      2.00000
     52       3.3768      2.00000
     53       3.4999      2.00000
     54       3.5970      2.00000
     55       3.9091      2.00000
     56       4.0674      2.00000
     57       4.2146      2.00000
     58       4.2865      2.00000
     59       4.9224      2.00000
     60       5.6552      2.02736
     61       6.2453     -0.06783
     62       8.2794     -0.00000
     63       8.3775     -0.00000
     64       8.4347     -0.00000
     65       9.0357     -0.00000
     66       9.6257     -0.00000
     67      10.3363     -0.00000
     68      10.7770     -0.00000
     69      11.4095     -0.00000
     70      11.7693      0.00000
     71      11.8367      0.00000
     72      12.1533      0.00000
     73      12.2509      0.00000
     74      12.4293      0.00000
     75      12.4400      0.00000
     76      12.7112      0.00000
     77      13.2834      0.00000
     78      13.6525      0.00000
     79      13.7896      0.00000
     80      14.6638      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.6529      2.00000
      9      -0.5534      2.00000
     10      -0.2459      2.00000
     11       0.2651      2.00000
     12       0.3056      2.00000
     13       0.4060      2.00000
     14       0.4924      2.00000
     15       0.6094      2.00000
     16       0.6334      2.00000
     17       0.7607      2.00000
     18       0.8343      2.00000
     19       0.9383      2.00000
     20       0.9682      2.00000
     21       0.9831      2.00000
     22       1.1195      2.00000
     23       1.1340      2.00000
     24       1.2085      2.00000
     25       1.2545      2.00000
     26       1.3735      2.00000
     27       1.4067      2.00000
     28       1.5077      2.00000
     29       1.6425      2.00000
     30       1.6749      2.00000
     31       1.7729      2.00000
     32       1.8292      2.00000
     33       1.8639      2.00000
     34       2.0184      2.00000
     35       2.0435      2.00000
     36       2.1778      2.00000
     37       2.2751      2.00000
     38       2.3799      2.00000
     39       2.4727      2.00000
     40       2.5065      2.00000
     41       2.5662      2.00000
     42       2.6186      2.00000
     43       2.7003      2.00000
     44       2.7405      2.00000
     45       2.8111      2.00000
     46       2.8334      2.00000
     47       2.9259      2.00000
     48       3.0791      2.00000
     49       3.1387      2.00000
     50       3.1970      2.00000
     51       3.2449      2.00000
     52       3.3089      2.00000
     53       3.4299      2.00000
     54       3.6221      2.00000
     55       3.7207      2.00000
     56       3.8604      2.00000
     57       4.1261      2.00000
     58       4.5792      2.00000
     59       5.4681      2.00069
     60       6.2136     -0.04397
     61       6.8036     -0.00000
     62       7.1818     -0.00000
     63       7.7414     -0.00000
     64       8.3618     -0.00000
     65       8.5843     -0.00000
     66       8.7242     -0.00000
     67       9.7090     -0.00000
     68      10.2471     -0.00000
     69      10.6040     -0.00000
     70      10.6979     -0.00000
     71      11.1455     -0.00000
     72      11.7602      0.00000
     73      12.5273      0.00000
     74      12.8563      0.00000
     75      13.1667      0.00000
     76      13.3261      0.00000
     77      13.5090      0.00000
     78      13.9167      0.00000
     79      14.4697      0.00000
     80      14.6613      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0127      2.00000
      9      -0.4039      2.00000
     10      -0.0987      2.00000
     11       0.3426      2.00000
     12       0.4398      2.00000
     13       0.5125      2.00000
     14       0.6055      2.00000
     15       0.6697      2.00000
     16       0.7416      2.00000
     17       0.8570      2.00000
     18       0.9261      2.00000
     19       1.0003      2.00000
     20       1.0559      2.00000
     21       1.0975      2.00000
     22       1.1963      2.00000
     23       1.2547      2.00000
     24       1.2938      2.00000
     25       1.3312      2.00000
     26       1.3829      2.00000
     27       1.4781      2.00000
     28       1.5724      2.00000
     29       1.6319      2.00000
     30       1.7443      2.00000
     31       1.8305      2.00000
     32       1.8692      2.00000
     33       1.9705      2.00000
     34       2.0141      2.00000
     35       2.1285      2.00000
     36       2.1312      2.00000
     37       2.1948      2.00000
     38       2.2641      2.00000
     39       2.3232      2.00000
     40       2.4261      2.00000
     41       2.4898      2.00000
     42       2.5445      2.00000
     43       2.6598      2.00000
     44       2.6854      2.00000
     45       2.7558      2.00000
     46       2.8210      2.00000
     47       2.8552      2.00000
     48       2.9325      2.00000
     49       3.0346      2.00000
     50       3.1120      2.00000
     51       3.1584      2.00000
     52       3.2683      2.00000
     53       3.3646      2.00000
     54       3.4690      2.00000
     55       3.5874      2.00000
     56       3.8439      2.00000
     57       4.6431      2.00000
     58       4.9937      2.00000
     59       5.4512      2.00044
     60       5.8010      2.06434
     61       6.4474     -0.00988
     62       6.8185     -0.00000
     63       6.9837     -0.00000
     64       7.4995     -0.00000
     65       8.0367     -0.00000
     66       8.3944     -0.00000
     67       8.7831     -0.00000
     68       9.4496     -0.00000
     69       9.8623     -0.00000
     70      10.3314     -0.00000
     71      10.5453     -0.00000
     72      10.7833     -0.00000
     73      11.4713     -0.00000
     74      12.2627      0.00000
     75      13.1377      0.00000
     76      13.5632      0.00000
     77      13.6928      0.00000
     78      13.8545      0.00000
     79      14.3691      0.00000
     80      14.7187      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3772      2.00000
      9      -0.0907      2.00000
     10       0.0990      2.00000
     11       0.1849      2.00000
     12       0.4964      2.00000
     13       0.5261      2.00000
     14       0.5791      2.00000
     15       0.6476      2.00000
     16       0.8568      2.00000
     17       0.9296      2.00000
     18       0.9535      2.00000
     19       1.1251      2.00000
     20       1.1757      2.00000
     21       1.2170      2.00000
     22       1.2671      2.00000
     23       1.3974      2.00000
     24       1.4192      2.00000
     25       1.4260      2.00000
     26       1.4924      2.00000
     27       1.5320      2.00000
     28       1.6661      2.00000
     29       1.7020      2.00000
     30       1.7509      2.00000
     31       1.8159      2.00000
     32       1.9252      2.00000
     33       1.9625      2.00000
     34       2.0788      2.00000
     35       2.1618      2.00000
     36       2.1808      2.00000
     37       2.1978      2.00000
     38       2.2846      2.00000
     39       2.3280      2.00000
     40       2.3701      2.00000
     41       2.4688      2.00000
     42       2.4869      2.00000
     43       2.5518      2.00000
     44       2.6433      2.00000
     45       2.6943      2.00000
     46       2.7636      2.00000
     47       2.8236      2.00000
     48       2.8704      2.00000
     49       2.9327      2.00000
     50       3.0755      2.00000
     51       3.1853      2.00000
     52       3.2757      2.00000
     53       3.3768      2.00000
     54       3.5715      2.00000
     55       3.6572      2.00000
     56       3.8271      2.00000
     57       4.1606      2.00000
     58       4.2802      2.00000
     59       5.1490      2.00000
     60       5.9001      1.83616
     61       6.0600      0.66221
     62       6.1387      0.16223
     63       6.8535     -0.00000
     64       7.0680     -0.00000
     65       7.7320     -0.00000
     66       8.2077     -0.00000
     67       8.4888     -0.00000
     68       8.8503     -0.00000
     69       9.5057     -0.00000
     70       9.8308     -0.00000
     71      10.5472     -0.00000
     72      10.9221     -0.00000
     73      11.3154     -0.00000
     74      11.7649      0.00000
     75      12.3536      0.00000
     76      12.7005      0.00000
     77      13.5039      0.00000
     78      13.7835      0.00000
     79      14.0098      0.00000
     80      14.6402      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4312      2.00000
      9      -0.1631      2.00000
     10       0.0498      2.00000
     11       0.1618      2.00000
     12       0.5207      2.00000
     13       0.5406      2.00000
     14       0.7137      2.00000
     15       0.7593      2.00000
     16       0.8882      2.00000
     17       0.9238      2.00000
     18       1.0086      2.00000
     19       1.0920      2.00000
     20       1.1072      2.00000
     21       1.2646      2.00000
     22       1.2831      2.00000
     23       1.3478      2.00000
     24       1.4062      2.00000
     25       1.4228      2.00000
     26       1.4720      2.00000
     27       1.5006      2.00000
     28       1.6785      2.00000
     29       1.7239      2.00000
     30       1.7732      2.00000
     31       1.8119      2.00000
     32       1.8985      2.00000
     33       1.9171      2.00000
     34       2.0434      2.00000
     35       2.0873      2.00000
     36       2.1558      2.00000
     37       2.1727      2.00000
     38       2.2395      2.00000
     39       2.3436      2.00000
     40       2.4594      2.00000
     41       2.4813      2.00000
     42       2.5497      2.00000
     43       2.5898      2.00000
     44       2.6360      2.00000
     45       2.6986      2.00000
     46       2.7432      2.00000
     47       2.8320      2.00000
     48       2.8661      2.00000
     49       2.9165      2.00000
     50       3.1201      2.00000
     51       3.1907      2.00000
     52       3.2191      2.00000
     53       3.5269      2.00000
     54       3.5635      2.00000
     55       3.7597      2.00000
     56       4.2032      2.00000
     57       4.4082      2.00000
     58       4.5921      2.00000
     59       4.7529      2.00000
     60       5.1608      2.00000
     61       5.5640      2.00594
     62       6.0934      0.41756
     63       6.1310      0.19825
     64       7.0626     -0.00000
     65       8.2991     -0.00000
     66       8.4935     -0.00000
     67       8.9648     -0.00000
     68       9.2313     -0.00000
     69       9.3807     -0.00000
     70       9.9346     -0.00000
     71      10.4379     -0.00000
     72      10.5889     -0.00000
     73      11.3040     -0.00000
     74      11.8437      0.00000
     75      12.5359      0.00000
     76      13.2913      0.00000
     77      13.6143      0.00000
     78      13.9397      0.00000
     79      14.1755      0.00000
     80      14.4149      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5731      2.00000
      7     -39.5644      2.00000
      8      -1.1470      2.00000
      9      -0.4593      2.00000
     10       0.0414      2.00000
     11       0.1729      2.00000
     12       0.5297      2.00000
     13       0.6144      2.00000
     14       0.6527      2.00000
     15       0.7009      2.00000
     16       0.8388      2.00000
     17       0.8511      2.00000
     18       0.8885      2.00000
     19       0.9856      2.00000
     20       1.1099      2.00000
     21       1.1547      2.00000
     22       1.1901      2.00000
     23       1.2271      2.00000
     24       1.3245      2.00000
     25       1.3716      2.00000
     26       1.4138      2.00000
     27       1.4688      2.00000
     28       1.4976      2.00000
     29       1.6427      2.00000
     30       1.7589      2.00000
     31       1.7750      2.00000
     32       1.8456      2.00000
     33       1.9180      2.00000
     34       1.9692      2.00000
     35       2.0653      2.00000
     36       2.1720      2.00000
     37       2.2201      2.00000
     38       2.3159      2.00000
     39       2.3622      2.00000
     40       2.4524      2.00000
     41       2.5267      2.00000
     42       2.5762      2.00000
     43       2.6152      2.00000
     44       2.6830      2.00000
     45       2.7815      2.00000
     46       2.8036      2.00000
     47       2.8803      2.00000
     48       2.8955      2.00000
     49       3.0537      2.00000
     50       3.1037      2.00000
     51       3.1471      2.00000
     52       3.2416      2.00000
     53       3.3434      2.00000
     54       3.5442      2.00000
     55       3.7203      2.00000
     56       4.1176      2.00000
     57       4.4375      2.00000
     58       4.8788      2.00000
     59       5.4649      2.00063
     60       5.6735      2.03466
     61       6.0729      0.56327
     62       6.4002     -0.02148
     63       6.9917     -0.00000
     64       7.2319     -0.00000
     65       7.5915     -0.00000
     66       8.1482     -0.00000
     67       9.1485     -0.00000
     68       9.3594     -0.00000
     69      10.2212     -0.00000
     70      10.9675     -0.00000
     71      11.4139     -0.00000
     72      11.7220      0.00000
     73      12.1078      0.00000
     74      12.3812      0.00000
     75      12.7371      0.00000
     76      13.3776      0.00000
     77      13.6150      0.00000
     78      13.9519      0.00000
     79      14.2644      0.00000
     80      14.4225      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5625      2.00000
      8      -1.7401      2.00000
      9      -0.6008      2.00000
     10       0.0655      2.00000
     11       0.1868      2.00000
     12       0.3348      2.00000
     13       0.3579      2.00000
     14       0.4351      2.00000
     15       0.6385      2.00000
     16       0.6631      2.00000
     17       0.7579      2.00000
     18       0.8402      2.00000
     19       0.9068      2.00000
     20       0.9309      2.00000
     21       1.0640      2.00000
     22       1.0935      2.00000
     23       1.1610      2.00000
     24       1.2340      2.00000
     25       1.2960      2.00000
     26       1.3146      2.00000
     27       1.3596      2.00000
     28       1.4869      2.00000
     29       1.6825      2.00000
     30       1.6992      2.00000
     31       1.7844      2.00000
     32       1.8549      2.00000
     33       1.9056      2.00000
     34       1.9268      2.00000
     35       2.1008      2.00000
     36       2.1685      2.00000
     37       2.2798      2.00000
     38       2.3237      2.00000
     39       2.3927      2.00000
     40       2.4996      2.00000
     41       2.5351      2.00000
     42       2.6128      2.00000
     43       2.7503      2.00000
     44       2.8052      2.00000
     45       2.8416      2.00000
     46       2.8858      2.00000
     47       2.9384      2.00000
     48       3.0440      2.00000
     49       3.1217      2.00000
     50       3.1543      2.00000
     51       3.2101      2.00000
     52       3.2667      2.00000
     53       3.4419      2.00000
     54       3.6865      2.00000
     55       3.8199      2.00000
     56       3.9444      2.00000
     57       4.1165      2.00000
     58       4.8269      2.00000
     59       5.1158      2.00000
     60       5.6211      2.01648
     61       6.6419     -0.00010
     62       7.2049     -0.00000
     63       7.7345     -0.00000
     64       8.2197     -0.00000
     65       8.9061     -0.00000
     66       9.0216     -0.00000
     67       9.4006     -0.00000
     68      10.2185     -0.00000
     69      10.7666     -0.00000
     70      10.7902     -0.00000
     71      11.3917     -0.00000
     72      12.5125      0.00000
     73      12.8582      0.00000
     74      13.1654      0.00000
     75      13.3454      0.00000
     76      13.4150      0.00000
     77      13.7999      0.00000
     78      13.9115      0.00000
     79      14.2480      0.00000
     80      14.3704      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8865      2.00000
      2     -39.8798      2.00000
      3     -39.8220      2.00000
      4     -39.6375      2.00000
      5     -39.6371      2.00000
      6     -39.5758      2.00000
      7     -39.5617      2.00000
      8      -1.8404      2.00000
      9      -0.8776      2.00000
     10      -0.0095      2.00000
     11       0.1638      2.00000
     12       0.2322      2.00000
     13       0.3225      2.00000
     14       0.4374      2.00000
     15       0.6048      2.00000
     16       0.6341      2.00000
     17       0.6501      2.00000
     18       0.7216      2.00000
     19       0.8001      2.00000
     20       0.8555      2.00000
     21       0.9555      2.00000
     22       1.0519      2.00000
     23       1.0893      2.00000
     24       1.2713      2.00000
     25       1.3048      2.00000
     26       1.4186      2.00000
     27       1.4510      2.00000
     28       1.6156      2.00000
     29       1.6279      2.00000
     30       1.6590      2.00000
     31       1.7190      2.00000
     32       1.8069      2.00000
     33       1.8889      2.00000
     34       1.9529      2.00000
     35       2.1554      2.00000
     36       2.2286      2.00000
     37       2.2386      2.00000
     38       2.2970      2.00000
     39       2.4390      2.00000
     40       2.5131      2.00000
     41       2.6580      2.00000
     42       2.6664      2.00000
     43       2.6956      2.00000
     44       2.7923      2.00000
     45       2.8515      2.00000
     46       2.9032      2.00000
     47       2.9405      2.00000
     48       3.0643      2.00000
     49       3.1185      2.00000
     50       3.1654      2.00000
     51       3.3297      2.00000
     52       3.3841      2.00000
     53       3.4549      2.00000
     54       3.6496      2.00000
     55       3.9791      2.00000
     56       4.2113      2.00000
     57       4.2524      2.00000
     58       4.3754      2.00000
     59       4.8244      2.00000
     60       6.3357     -0.04776
     61       6.4445     -0.01041
     62       7.0648     -0.00000
     63       7.3977     -0.00000
     64       8.7558     -0.00000
     65       9.5790     -0.00000
     66       9.6384     -0.00000
     67       9.8915     -0.00000
     68      11.0499     -0.00000
     69      11.1067     -0.00000
     70      11.1879     -0.00000
     71      11.5378      0.00000
     72      12.2770      0.00000
     73      12.7078      0.00000
     74      13.1375      0.00000
     75      13.4237      0.00000
     76      13.6131      0.00000
     77      13.8163      0.00000
     78      14.0058      0.00000
     79      14.2993      0.00000
     80      14.5151      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6375      2.00000
      5     -39.6370      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.5605      2.00000
      9      -0.7993      2.00000
     10      -0.1179      2.00000
     11       0.2283      2.00000
     12       0.2767      2.00000
     13       0.4500      2.00000
     14       0.5211      2.00000
     15       0.5855      2.00000
     16       0.6425      2.00000
     17       0.7143      2.00000
     18       0.7989      2.00000
     19       0.9208      2.00000
     20       0.9816      2.00000
     21       0.9946      2.00000
     22       1.0780      2.00000
     23       1.1673      2.00000
     24       1.2259      2.00000
     25       1.3162      2.00000
     26       1.3992      2.00000
     27       1.4069      2.00000
     28       1.5405      2.00000
     29       1.5810      2.00000
     30       1.6351      2.00000
     31       1.6904      2.00000
     32       1.9001      2.00000
     33       1.9723      2.00000
     34       2.0330      2.00000
     35       2.1654      2.00000
     36       2.2077      2.00000
     37       2.2783      2.00000
     38       2.3174      2.00000
     39       2.3716      2.00000
     40       2.3971      2.00000
     41       2.4550      2.00000
     42       2.6629      2.00000
     43       2.6753      2.00000
     44       2.7770      2.00000
     45       2.7978      2.00000
     46       2.8528      2.00000
     47       2.9891      2.00000
     48       3.0366      2.00000
     49       3.1180      2.00000
     50       3.1757      2.00000
     51       3.2244      2.00000
     52       3.3049      2.00000
     53       3.4655      2.00000
     54       3.6574      2.00000
     55       3.7093      2.00000
     56       3.8930      2.00000
     57       4.4689      2.00000
     58       4.9519      2.00000
     59       5.4959      2.00136
     60       5.8888      1.88407
     61       6.6276     -0.00015
     62       7.0084     -0.00000
     63       7.5239     -0.00000
     64       8.0589     -0.00000
     65       8.4540     -0.00000
     66       8.9222     -0.00000
     67       9.3293     -0.00000
     68       9.5864     -0.00000
     69      10.5081     -0.00000
     70      11.9236      0.00000
     71      12.3313      0.00000
     72      12.4298      0.00000
     73      12.6039      0.00000
     74      12.7287      0.00000
     75      12.9797      0.00000
     76      13.3305      0.00000
     77      13.5997      0.00000
     78      13.9400      0.00000
     79      13.9790      0.00000
     80      14.4484      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0121      2.00000
      9      -0.3648      2.00000
     10      -0.1115      2.00000
     11       0.3353      2.00000
     12       0.4060      2.00000
     13       0.5156      2.00000
     14       0.5488      2.00000
     15       0.6926      2.00000
     16       0.8010      2.00000
     17       0.8309      2.00000
     18       0.9371      2.00000
     19       0.9560      2.00000
     20       1.0327      2.00000
     21       1.0878      2.00000
     22       1.1813      2.00000
     23       1.2307      2.00000
     24       1.3308      2.00000
     25       1.3873      2.00000
     26       1.4320      2.00000
     27       1.5052      2.00000
     28       1.5709      2.00000
     29       1.6260      2.00000
     30       1.7699      2.00000
     31       1.8443      2.00000
     32       1.8977      2.00000
     33       1.9375      2.00000
     34       1.9939      2.00000
     35       2.0412      2.00000
     36       2.0951      2.00000
     37       2.1385      2.00000
     38       2.2165      2.00000
     39       2.3296      2.00000
     40       2.4723      2.00000
     41       2.5016      2.00000
     42       2.5704      2.00000
     43       2.6224      2.00000
     44       2.7081      2.00000
     45       2.7980      2.00000
     46       2.8282      2.00000
     47       2.8790      2.00000
     48       2.9491      2.00000
     49       2.9964      2.00000
     50       3.0973      2.00000
     51       3.1804      2.00000
     52       3.2601      2.00000
     53       3.2941      2.00000
     54       3.4763      2.00000
     55       3.6211      2.00000
     56       3.9893      2.00000
     57       4.4826      2.00000
     58       5.2795      2.00000
     59       5.6848      2.03955
     60       5.9506      1.54443
     61       6.2884     -0.06709
     62       6.5711     -0.00067
     63       6.7448     -0.00000
     64       7.4258     -0.00000
     65       7.6522     -0.00000
     66       8.0876     -0.00000
     67       9.1330     -0.00000
     68       9.7375     -0.00000
     69       9.9677     -0.00000
     70      10.2705     -0.00000
     71      11.0787     -0.00000
     72      11.1877     -0.00000
     73      11.8952      0.00000
     74      12.0757      0.00000
     75      12.3804      0.00000
     76      12.9011      0.00000
     77      13.3564      0.00000
     78      13.6803      0.00000
     79      14.1278      0.00000
     80      14.5329      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3785      2.00000
      9      -0.0665      2.00000
     10       0.0744      2.00000
     11       0.1689      2.00000
     12       0.4278      2.00000
     13       0.5316      2.00000
     14       0.6263      2.00000
     15       0.7344      2.00000
     16       0.8648      2.00000
     17       0.9205      2.00000
     18       0.9289      2.00000
     19       1.1117      2.00000
     20       1.1703      2.00000
     21       1.2143      2.00000
     22       1.2514      2.00000
     23       1.3334      2.00000
     24       1.4096      2.00000
     25       1.4804      2.00000
     26       1.5063      2.00000
     27       1.6035      2.00000
     28       1.6973      2.00000
     29       1.7263      2.00000
     30       1.7505      2.00000
     31       1.8532      2.00000
     32       1.8957      2.00000
     33       1.9816      2.00000
     34       1.9831      2.00000
     35       2.0778      2.00000
     36       2.1313      2.00000
     37       2.2364      2.00000
     38       2.3091      2.00000
     39       2.3606      2.00000
     40       2.3892      2.00000
     41       2.4666      2.00000
     42       2.5148      2.00000
     43       2.5363      2.00000
     44       2.6322      2.00000
     45       2.7067      2.00000
     46       2.7530      2.00000
     47       2.8065      2.00000
     48       2.8560      2.00000
     49       2.8819      2.00000
     50       3.0798      2.00000
     51       3.1557      2.00000
     52       3.2782      2.00000
     53       3.3459      2.00000
     54       3.4951      2.00000
     55       3.6023      2.00000
     56       3.7498      2.00000
     57       4.4178      2.00000
     58       4.7490      2.00000
     59       5.1213      2.00000
     60       5.6768      2.03607
     61       5.9100      1.78877
     62       6.2302     -0.05989
     63       6.5725     -0.00065
     64       6.7867     -0.00000
     65       7.7358     -0.00000
     66       8.0717     -0.00000
     67       8.5761     -0.00000
     68       9.2447     -0.00000
     69       9.6826     -0.00000
     70      10.2821     -0.00000
     71      10.7692     -0.00000
     72      10.9669     -0.00000
     73      11.4342     -0.00000
     74      11.7280      0.00000
     75      12.2751      0.00000
     76      12.5993      0.00000
     77      13.1411      0.00000
     78      13.3880      0.00000
     79      13.9437      0.00000
     80      14.3556      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4303      2.00000
      9      -0.1347      2.00000
     10      -0.0273      2.00000
     11       0.1586      2.00000
     12       0.5638      2.00000
     13       0.6818      2.00000
     14       0.7136      2.00000
     15       0.7431      2.00000
     16       0.8118      2.00000
     17       0.8920      2.00000
     18       0.9693      2.00000
     19       1.1101      2.00000
     20       1.1358      2.00000
     21       1.1593      2.00000
     22       1.2691      2.00000
     23       1.3542      2.00000
     24       1.3819      2.00000
     25       1.4048      2.00000
     26       1.5537      2.00000
     27       1.6025      2.00000
     28       1.6892      2.00000
     29       1.7289      2.00000
     30       1.7866      2.00000
     31       1.8226      2.00000
     32       1.8648      2.00000
     33       1.9692      2.00000
     34       2.0014      2.00000
     35       2.1087      2.00000
     36       2.1757      2.00000
     37       2.2466      2.00000
     38       2.3238      2.00000
     39       2.3501      2.00000
     40       2.4624      2.00000
     41       2.4808      2.00000
     42       2.5022      2.00000
     43       2.5433      2.00000
     44       2.5781      2.00000
     45       2.5998      2.00000
     46       2.7418      2.00000
     47       2.7784      2.00000
     48       2.8203      2.00000
     49       2.8894      2.00000
     50       3.1383      2.00000
     51       3.1763      2.00000
     52       3.2993      2.00000
     53       3.5085      2.00000
     54       3.5842      2.00000
     55       3.6614      2.00000
     56       4.0601      2.00000
     57       4.4179      2.00000
     58       4.5026      2.00000
     59       5.0494      2.00000
     60       5.1590      2.00000
     61       5.8417      2.01838
     62       6.1232      0.23797
     63       6.4921     -0.00415
     64       7.2076     -0.00000
     65       7.3101     -0.00000
     66       7.7037     -0.00000
     67       8.2675     -0.00000
     68       9.6249     -0.00000
     69      10.0120     -0.00000
     70      10.6326     -0.00000
     71      11.1495     -0.00000
     72      11.3742     -0.00000
     73      11.8194      0.00000
     74      12.0367      0.00000
     75      12.2068      0.00000
     76      12.8760      0.00000
     77      13.2077      0.00000
     78      13.3258      0.00000
     79      14.1730      0.00000
     80      14.2036      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6371      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.1952      2.00000
      9      -0.3196      2.00000
     10      -0.0560      2.00000
     11       0.1207      2.00000
     12       0.5696      2.00000
     13       0.5955      2.00000
     14       0.6438      2.00000
     15       0.7269      2.00000
     16       0.8601      2.00000
     17       0.8960      2.00000
     18       0.9559      2.00000
     19       1.0310      2.00000
     20       1.0760      2.00000
     21       1.1373      2.00000
     22       1.2006      2.00000
     23       1.2590      2.00000
     24       1.2959      2.00000
     25       1.3511      2.00000
     26       1.4032      2.00000
     27       1.4138      2.00000
     28       1.5636      2.00000
     29       1.6845      2.00000
     30       1.7183      2.00000
     31       1.8299      2.00000
     32       1.9060      2.00000
     33       1.9376      2.00000
     34       2.0015      2.00000
     35       2.0227      2.00000
     36       2.0556      2.00000
     37       2.1647      2.00000
     38       2.2240      2.00000
     39       2.4054      2.00000
     40       2.4447      2.00000
     41       2.5062      2.00000
     42       2.5676      2.00000
     43       2.6152      2.00000
     44       2.6889      2.00000
     45       2.7686      2.00000
     46       2.8546      2.00000
     47       2.8909      2.00000
     48       2.9639      2.00000
     49       3.0379      2.00000
     50       3.0683      2.00000
     51       3.1156      2.00000
     52       3.1882      2.00000
     53       3.2893      2.00000
     54       3.5418      2.00000
     55       3.6662      2.00000
     56       4.0005      2.00000
     57       4.3328      2.00000
     58       5.3383      2.00002
     59       5.5173      2.00222
     60       5.6762      2.03580
     61       5.8283      2.03951
     62       6.6562     -0.00006
     63       6.9305     -0.00000
     64       7.4130     -0.00000
     65       7.8127     -0.00000
     66       7.9016     -0.00000
     67       8.5021     -0.00000
     68       9.8799     -0.00000
     69      10.0648     -0.00000
     70      10.4756     -0.00000
     71      11.7025      0.00000
     72      12.2754      0.00000
     73      12.5318      0.00000
     74      12.9121      0.00000
     75      13.1187      0.00000
     76      13.3913      0.00000
     77      13.4765      0.00000
     78      13.6199      0.00000
     79      13.8056      0.00000
     80      14.2345      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5625      2.00000
      8      -1.7251      2.00000
      9      -0.6454      2.00000
     10       0.0396      2.00000
     11       0.2425      2.00000
     12       0.3384      2.00000
     13       0.3469      2.00000
     14       0.4331      2.00000
     15       0.6430      2.00000
     16       0.6540      2.00000
     17       0.7447      2.00000
     18       0.8388      2.00000
     19       0.8956      2.00000
     20       0.9835      2.00000
     21       1.0359      2.00000
     22       1.1044      2.00000
     23       1.1623      2.00000
     24       1.2451      2.00000
     25       1.2682      2.00000
     26       1.3602      2.00000
     27       1.4287      2.00000
     28       1.4545      2.00000
     29       1.6209      2.00000
     30       1.7020      2.00000
     31       1.7388      2.00000
     32       1.8351      2.00000
     33       1.8895      2.00000
     34       1.9591      2.00000
     35       2.1320      2.00000
     36       2.2089      2.00000
     37       2.2657      2.00000
     38       2.3042      2.00000
     39       2.4103      2.00000
     40       2.5154      2.00000
     41       2.5569      2.00000
     42       2.6107      2.00000
     43       2.7335      2.00000
     44       2.7633      2.00000
     45       2.8018      2.00000
     46       2.9080      2.00000
     47       2.9816      2.00000
     48       3.0210      2.00000
     49       3.1151      2.00000
     50       3.1725      2.00000
     51       3.2269      2.00000
     52       3.3025      2.00000
     53       3.4442      2.00000
     54       3.6390      2.00000
     55       3.7989      2.00000
     56       3.9541      2.00000
     57       4.1705      2.00000
     58       4.5537      2.00000
     59       5.2060      2.00000
     60       6.0782      0.52387
     61       6.6005     -0.00031
     62       7.0251     -0.00000
     63       7.7840     -0.00000
     64       8.0665     -0.00000
     65       8.5240     -0.00000
     66       8.7499     -0.00000
     67       9.6822     -0.00000
     68      10.4945     -0.00000
     69      10.8870     -0.00000
     70      11.0594     -0.00000
     71      11.2714     -0.00000
     72      12.5147      0.00000
     73      12.8519      0.00000
     74      13.0332      0.00000
     75      13.2185      0.00000
     76      13.4847      0.00000
     77      13.5613      0.00000
     78      13.9544      0.00000
     79      14.3404      0.00000
     80      14.5182      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8865      2.00000
      2     -39.8797      2.00000
      3     -39.8220      2.00000
      4     -39.6375      2.00000
      5     -39.6371      2.00000
      6     -39.5757      2.00000
      7     -39.5617      2.00000
      8      -1.8365      2.00000
      9      -0.9032      2.00000
     10       0.0660      2.00000
     11       0.1747      2.00000
     12       0.2120      2.00000
     13       0.3159      2.00000
     14       0.4318      2.00000
     15       0.6187      2.00000
     16       0.6399      2.00000
     17       0.6471      2.00000
     18       0.7077      2.00000
     19       0.7517      2.00000
     20       0.8696      2.00000
     21       0.9701      2.00000
     22       1.0905      2.00000
     23       1.1124      2.00000
     24       1.2255      2.00000
     25       1.2779      2.00000
     26       1.3641      2.00000
     27       1.3925      2.00000
     28       1.5752      2.00000
     29       1.6664      2.00000
     30       1.7101      2.00000
     31       1.7261      2.00000
     32       1.8249      2.00000
     33       1.8685      2.00000
     34       1.8961      2.00000
     35       2.1345      2.00000
     36       2.2292      2.00000
     37       2.2581      2.00000
     38       2.3817      2.00000
     39       2.4417      2.00000
     40       2.5620      2.00000
     41       2.5778      2.00000
     42       2.6323      2.00000
     43       2.6781      2.00000
     44       2.8630      2.00000
     45       2.8876      2.00000
     46       3.0028      2.00000
     47       3.0584      2.00000
     48       3.0814      2.00000
     49       3.1521      2.00000
     50       3.1804      2.00000
     51       3.2428      2.00000
     52       3.3376      2.00000
     53       3.5315      2.00000
     54       3.6399      2.00000
     55       3.9358      2.00000
     56       3.9576      2.00000
     57       4.2003      2.00000
     58       4.3977      2.00000
     59       5.0639      2.00000
     60       5.7259      2.05822
     61       6.2882     -0.06714
     62       7.6582     -0.00000
     63       8.3853     -0.00000
     64       8.5802     -0.00000
     65       8.6102     -0.00000
     66       9.7211     -0.00000
     67      10.3091     -0.00000
     68      10.6226     -0.00000
     69      10.8203     -0.00000
     70      11.2797     -0.00000
     71      11.6781      0.00000
     72      12.5147      0.00000
     73      12.7513      0.00000
     74      12.8491      0.00000
     75      13.2286      0.00000
     76      13.3366      0.00000
     77      13.7489      0.00000
     78      14.3981      0.00000
     79      14.4745      0.00000
     80      14.5155      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.6392      2.00000
      9      -0.6159      2.00000
     10      -0.1900      2.00000
     11       0.2601      2.00000
     12       0.3010      2.00000
     13       0.4545      2.00000
     14       0.4669      2.00000
     15       0.5973      2.00000
     16       0.6554      2.00000
     17       0.7549      2.00000
     18       0.8001      2.00000
     19       0.9042      2.00000
     20       0.9515      2.00000
     21       0.9945      2.00000
     22       1.1033      2.00000
     23       1.1602      2.00000
     24       1.1821      2.00000
     25       1.2668      2.00000
     26       1.3759      2.00000
     27       1.4016      2.00000
     28       1.5106      2.00000
     29       1.6428      2.00000
     30       1.6655      2.00000
     31       1.7550      2.00000
     32       1.8941      2.00000
     33       1.9028      2.00000
     34       2.0072      2.00000
     35       2.0792      2.00000
     36       2.1955      2.00000
     37       2.2511      2.00000
     38       2.3329      2.00000
     39       2.4160      2.00000
     40       2.4815      2.00000
     41       2.5808      2.00000
     42       2.6237      2.00000
     43       2.7261      2.00000
     44       2.7869      2.00000
     45       2.8344      2.00000
     46       2.8642      2.00000
     47       2.9338      2.00000
     48       3.0335      2.00000
     49       3.1169      2.00000
     50       3.1753      2.00000
     51       3.2134      2.00000
     52       3.2607      2.00000
     53       3.5531      2.00000
     54       3.6891      2.00000
     55       3.7545      2.00000
     56       3.8052      2.00000
     57       4.0669      2.00000
     58       4.9968      2.00000
     59       5.0977      2.00000
     60       5.8952      1.85767
     61       6.8049     -0.00000
     62       7.2308     -0.00000
     63       7.6980     -0.00000
     64       8.6662     -0.00000
     65       8.8863     -0.00000
     66       9.3369     -0.00000
     67       9.4710     -0.00000
     68       9.5808     -0.00000
     69       9.8116     -0.00000
     70      11.0039     -0.00000
     71      11.5622      0.00000
     72      12.1324      0.00000
     73      12.3127      0.00000
     74      12.5179      0.00000
     75      13.1495      0.00000
     76      13.3968      0.00000
     77      13.6136      0.00000
     78      14.1176      0.00000
     79      14.4201      0.00000
     80      14.5499      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6371      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0609      2.00000
      9      -0.2566      2.00000
     10      -0.1823      2.00000
     11       0.2807      2.00000
     12       0.4474      2.00000
     13       0.5415      2.00000
     14       0.5783      2.00000
     15       0.7016      2.00000
     16       0.7968      2.00000
     17       0.8566      2.00000
     18       0.9222      2.00000
     19       1.0282      2.00000
     20       1.1044      2.00000
     21       1.1177      2.00000
     22       1.1432      2.00000
     23       1.2169      2.00000
     24       1.2623      2.00000
     25       1.3147      2.00000
     26       1.3738      2.00000
     27       1.5125      2.00000
     28       1.6019      2.00000
     29       1.6501      2.00000
     30       1.6734      2.00000
     31       1.8373      2.00000
     32       1.8576      2.00000
     33       1.9971      2.00000
     34       2.0155      2.00000
     35       2.0691      2.00000
     36       2.1965      2.00000
     37       2.2190      2.00000
     38       2.2579      2.00000
     39       2.3074      2.00000
     40       2.3705      2.00000
     41       2.5350      2.00000
     42       2.6379      2.00000
     43       2.6618      2.00000
     44       2.7372      2.00000
     45       2.7800      2.00000
     46       2.8020      2.00000
     47       2.8560      2.00000
     48       2.9273      2.00000
     49       2.9803      2.00000
     50       3.1129      2.00000
     51       3.1350      2.00000
     52       3.2241      2.00000
     53       3.4232      2.00000
     54       3.5069      2.00000
     55       3.5925      2.00000
     56       3.6981      2.00000
     57       4.4059      2.00000
     58       4.8287      2.00000
     59       5.4141      2.00016
     60       5.9777      1.34297
     61       6.6000     -0.00032
     62       6.9975     -0.00000
     63       7.0372     -0.00000
     64       7.3437     -0.00000
     65       8.2610     -0.00000
     66       8.5368     -0.00000
     67       8.7757     -0.00000
     68       9.3835     -0.00000
     69       9.9864     -0.00000
     70      10.2610     -0.00000
     71      10.3858     -0.00000
     72      11.1512     -0.00000
     73      11.7670      0.00000
     74      12.1618      0.00000
     75      12.2712      0.00000
     76      13.0107      0.00000
     77      13.6891      0.00000
     78      13.9265      0.00000
     79      14.1706      0.00000
     80      14.3015      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3511      2.00000
      9      -0.1264      2.00000
     10       0.0870      2.00000
     11       0.1702      2.00000
     12       0.4723      2.00000
     13       0.5809      2.00000
     14       0.6478      2.00000
     15       0.7100      2.00000
     16       0.7588      2.00000
     17       0.8987      2.00000
     18       0.9679      2.00000
     19       1.0871      2.00000
     20       1.1633      2.00000
     21       1.2074      2.00000
     22       1.2215      2.00000
     23       1.3392      2.00000
     24       1.3940      2.00000
     25       1.4992      2.00000
     26       1.5417      2.00000
     27       1.5815      2.00000
     28       1.6610      2.00000
     29       1.7155      2.00000
     30       1.8044      2.00000
     31       1.8697      2.00000
     32       1.9233      2.00000
     33       1.9519      2.00000
     34       2.0999      2.00000
     35       2.1615      2.00000
     36       2.1753      2.00000
     37       2.2467      2.00000
     38       2.2685      2.00000
     39       2.3393      2.00000
     40       2.3887      2.00000
     41       2.4261      2.00000
     42       2.5320      2.00000
     43       2.5888      2.00000
     44       2.6068      2.00000
     45       2.6238      2.00000
     46       2.6888      2.00000
     47       2.7910      2.00000
     48       2.8040      2.00000
     49       2.8839      2.00000
     50       3.0828      2.00000
     51       3.1441      2.00000
     52       3.1912      2.00000
     53       3.3654      2.00000
     54       3.5458      2.00000
     55       3.6380      2.00000
     56       3.9020      2.00000
     57       4.3882      2.00000
     58       4.7669      2.00000
     59       5.1040      2.00000
     60       5.6282      2.01843
     61       5.6934      2.04347
     62       6.1513      0.10936
     63       6.6590     -0.00006
     64       6.9863     -0.00000
     65       7.5374     -0.00000
     66       7.8910     -0.00000
     67       9.0515     -0.00000
     68       9.5548     -0.00000
     69       9.9536     -0.00000
     70      10.0923     -0.00000
     71      10.5849     -0.00000
     72      10.7264     -0.00000
     73      11.1124     -0.00000
     74      11.6737      0.00000
     75      12.2973      0.00000
     76      13.0906      0.00000
     77      13.2005      0.00000
     78      13.8712      0.00000
     79      13.8880      0.00000
     80      14.0865      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4385      2.00000
      9      -0.1303      2.00000
     10       0.0056      2.00000
     11       0.1508      2.00000
     12       0.5505      2.00000
     13       0.5900      2.00000
     14       0.6582      2.00000
     15       0.7660      2.00000
     16       0.8753      2.00000
     17       0.9653      2.00000
     18       1.0211      2.00000
     19       1.0801      2.00000
     20       1.1357      2.00000
     21       1.1911      2.00000
     22       1.2270      2.00000
     23       1.3311      2.00000
     24       1.4007      2.00000
     25       1.4977      2.00000
     26       1.5232      2.00000
     27       1.5756      2.00000
     28       1.6223      2.00000
     29       1.7234      2.00000
     30       1.7687      2.00000
     31       1.8088      2.00000
     32       1.9047      2.00000
     33       1.9651      2.00000
     34       1.9761      2.00000
     35       2.0644      2.00000
     36       2.1960      2.00000
     37       2.2068      2.00000
     38       2.2985      2.00000
     39       2.3250      2.00000
     40       2.3665      2.00000
     41       2.4853      2.00000
     42       2.5124      2.00000
     43       2.5935      2.00000
     44       2.6284      2.00000
     45       2.6966      2.00000
     46       2.7951      2.00000
     47       2.8121      2.00000
     48       2.8351      2.00000
     49       2.9041      2.00000
     50       3.1401      2.00000
     51       3.1856      2.00000
     52       3.2419      2.00000
     53       3.5207      2.00000
     54       3.5830      2.00000
     55       3.7028      2.00000
     56       3.8794      2.00000
     57       4.4253      2.00000
     58       4.6047      2.00000
     59       5.0255      2.00000
     60       5.4074      2.00013
     61       5.6942      2.04384
     62       5.8680      1.95580
     63       6.6914     -0.00002
     64       6.9869     -0.00000
     65       7.3539     -0.00000
     66       7.5865     -0.00000
     67       9.0493     -0.00000
     68       9.3352     -0.00000
     69      10.1181     -0.00000
     70      10.5804     -0.00000
     71      10.9656     -0.00000
     72      11.1990     -0.00000
     73      11.4450     -0.00000
     74      11.7935      0.00000
     75      11.9514      0.00000
     76      12.6616      0.00000
     77      13.5004      0.00000
     78      13.6810      0.00000
     79      14.0952      0.00000
     80      14.2061      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5731      2.00000
      7     -39.5644      2.00000
      8      -1.1199      2.00000
      9      -0.5202      2.00000
     10       0.1283      2.00000
     11       0.1507      2.00000
     12       0.5120      2.00000
     13       0.6100      2.00000
     14       0.6564      2.00000
     15       0.7034      2.00000
     16       0.8113      2.00000
     17       0.8411      2.00000
     18       0.8666      2.00000
     19       0.9599      2.00000
     20       1.1218      2.00000
     21       1.1567      2.00000
     22       1.1965      2.00000
     23       1.2145      2.00000
     24       1.3261      2.00000
     25       1.4030      2.00000
     26       1.4213      2.00000
     27       1.4688      2.00000
     28       1.5351      2.00000
     29       1.5705      2.00000
     30       1.7066      2.00000
     31       1.7487      2.00000
     32       1.8879      2.00000
     33       1.9255      2.00000
     34       1.9840      2.00000
     35       2.1315      2.00000
     36       2.1694      2.00000
     37       2.2425      2.00000
     38       2.2985      2.00000
     39       2.3625      2.00000
     40       2.4350      2.00000
     41       2.5229      2.00000
     42       2.5886      2.00000
     43       2.6804      2.00000
     44       2.7028      2.00000
     45       2.7933      2.00000
     46       2.8080      2.00000
     47       2.8549      2.00000
     48       2.9130      2.00000
     49       2.9637      2.00000
     50       3.0948      2.00000
     51       3.1364      2.00000
     52       3.2382      2.00000
     53       3.3687      2.00000
     54       3.5249      2.00000
     55       3.7229      2.00000
     56       4.1559      2.00000
     57       4.5689      2.00000
     58       5.0177      2.00000
     59       5.3238      2.00001
     60       5.6741      2.03490
     61       6.0312      0.89831
     62       6.2224     -0.05341
     63       6.7100     -0.00001
     64       7.1668     -0.00000
     65       7.7247     -0.00000
     66       8.7763     -0.00000
     67       8.9844     -0.00000
     68       9.4067     -0.00000
     69      10.3414     -0.00000
     70      10.5853     -0.00000
     71      11.0954     -0.00000
     72      11.6138      0.00000
     73      12.1542      0.00000
     74      12.5176      0.00000
     75      12.8294      0.00000
     76      13.3629      0.00000
     77      13.5831      0.00000
     78      14.1041      0.00000
     79      14.2143      0.00000
     80      14.4772      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6375      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5625      2.00000
      8      -1.6364      2.00000
      9      -0.8692      2.00000
     10       0.1672      2.00000
     11       0.2569      2.00000
     12       0.3196      2.00000
     13       0.3465      2.00000
     14       0.4273      2.00000
     15       0.6291      2.00000
     16       0.6645      2.00000
     17       0.6960      2.00000
     18       0.7845      2.00000
     19       0.8723      2.00000
     20       0.9618      2.00000
     21       1.0767      2.00000
     22       1.1327      2.00000
     23       1.1973      2.00000
     24       1.2356      2.00000
     25       1.3033      2.00000
     26       1.3821      2.00000
     27       1.4250      2.00000
     28       1.5006      2.00000
     29       1.6072      2.00000
     30       1.7090      2.00000
     31       1.7536      2.00000
     32       1.8526      2.00000
     33       1.8643      2.00000
     34       2.0316      2.00000
     35       2.1706      2.00000
     36       2.2000      2.00000
     37       2.2331      2.00000
     38       2.2740      2.00000
     39       2.3881      2.00000
     40       2.4435      2.00000
     41       2.5091      2.00000
     42       2.6360      2.00000
     43       2.6780      2.00000
     44       2.7941      2.00000
     45       2.8271      2.00000
     46       2.8840      2.00000
     47       2.9532      2.00000
     48       3.0230      2.00000
     49       3.1272      2.00000
     50       3.1734      2.00000
     51       3.2373      2.00000
     52       3.3090      2.00000
     53       3.5021      2.00000
     54       3.7292      2.00000
     55       3.9258      2.00000
     56       3.9646      2.00000
     57       4.2051      2.00000
     58       4.5781      2.00000
     59       5.0933      2.00000
     60       5.6808      2.03778
     61       6.8793     -0.00000
     62       7.4047     -0.00000
     63       7.7119     -0.00000
     64       8.2649     -0.00000
     65       8.4710     -0.00000
     66       8.5129     -0.00000
     67       8.9553     -0.00000
     68       9.1647     -0.00000
     69      11.4003     -0.00000
     70      12.1850      0.00000
     71      12.4863      0.00000
     72      12.7003      0.00000
     73      12.7345      0.00000
     74      13.1270      0.00000
     75      13.2465      0.00000
     76      13.5212      0.00000
     77      13.6829      0.00000
     78      13.8000      0.00000
     79      13.9016      0.00000
     80      14.0878      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8864      2.00000
      2     -39.8798      2.00000
      3     -39.8220      2.00000
      4     -39.6375      2.00000
      5     -39.6371      2.00000
      6     -39.5758      2.00000
      7     -39.5617      2.00000
      8      -1.6463      2.00000
      9      -0.7625      2.00000
     10      -0.5490      2.00000
     11       0.0942      2.00000
     12       0.2736      2.00000
     13       0.3809      2.00000
     14       0.4329      2.00000
     15       0.5717      2.00000
     16       0.6525      2.00000
     17       0.7538      2.00000
     18       0.7759      2.00000
     19       0.8403      2.00000
     20       0.9050      2.00000
     21       0.9436      2.00000
     22       1.0570      2.00000
     23       1.1225      2.00000
     24       1.1473      2.00000
     25       1.2450      2.00000
     26       1.3320      2.00000
     27       1.3766      2.00000
     28       1.4991      2.00000
     29       1.6047      2.00000
     30       1.6338      2.00000
     31       1.7947      2.00000
     32       1.9086      2.00000
     33       1.9313      2.00000
     34       2.1075      2.00000
     35       2.1680      2.00000
     36       2.2327      2.00000
     37       2.3710      2.00000
     38       2.4484      2.00000
     39       2.4740      2.00000
     40       2.4773      2.00000
     41       2.5583      2.00000
     42       2.6256      2.00000
     43       2.6971      2.00000
     44       2.7525      2.00000
     45       2.8187      2.00000
     46       2.8612      2.00000
     47       2.9592      2.00000
     48       2.9845      2.00000
     49       3.1578      2.00000
     50       3.2333      2.00000
     51       3.3320      2.00000
     52       3.3691      2.00000
     53       3.4563      2.00000
     54       3.5611      2.00000
     55       3.7161      2.00000
     56       3.7491      2.00000
     57       4.0118      2.00000
     58       4.1787      2.00000
     59       5.8126      2.05644
     60       7.1945     -0.00000
     61       7.3828     -0.00000
     62       7.5279     -0.00000
     63       7.7766     -0.00000
     64       8.4082     -0.00000
     65       8.8033     -0.00000
     66       9.3338     -0.00000
     67       9.9744     -0.00000
     68      10.4674     -0.00000
     69      10.6657     -0.00000
     70      11.0958     -0.00000
     71      11.2054     -0.00000
     72      11.4174     -0.00000
     73      12.5190      0.00000
     74      12.9345      0.00000
     75      13.1281      0.00000
     76      13.2308      0.00000
     77      13.3869      0.00000
     78      13.7818      0.00000
     79      13.8556      0.00000
     80      14.5832      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.3777      2.00000
      9      -0.7568      2.00000
     10      -0.3599      2.00000
     11       0.1266      2.00000
     12       0.2098      2.00000
     13       0.4976      2.00000
     14       0.5486      2.00000
     15       0.6488      2.00000
     16       0.6645      2.00000
     17       0.7571      2.00000
     18       0.7773      2.00000
     19       0.9411      2.00000
     20       0.9636      2.00000
     21       1.0079      2.00000
     22       1.0150      2.00000
     23       1.1266      2.00000
     24       1.1869      2.00000
     25       1.2073      2.00000
     26       1.3380      2.00000
     27       1.3765      2.00000
     28       1.5711      2.00000
     29       1.6267      2.00000
     30       1.7343      2.00000
     31       1.7748      2.00000
     32       1.8453      2.00000
     33       1.9870      2.00000
     34       2.0257      2.00000
     35       2.0588      2.00000
     36       2.1666      2.00000
     37       2.2983      2.00000
     38       2.3059      2.00000
     39       2.3734      2.00000
     40       2.5488      2.00000
     41       2.5711      2.00000
     42       2.6634      2.00000
     43       2.7065      2.00000
     44       2.7558      2.00000
     45       2.8103      2.00000
     46       2.8914      2.00000
     47       2.9377      2.00000
     48       3.0183      2.00000
     49       3.1144      2.00000
     50       3.1450      2.00000
     51       3.2622      2.00000
     52       3.3611      2.00000
     53       3.3849      2.00000
     54       3.5808      2.00000
     55       3.7895      2.00000
     56       3.8553      2.00000
     57       3.9952      2.00000
     58       4.2307      2.00000
     59       6.1869      0.00153
     60       6.5220     -0.00217
     61       7.3898     -0.00000
     62       7.6866     -0.00000
     63       7.9632     -0.00000
     64       8.3697     -0.00000
     65       8.6374     -0.00000
     66       8.8192     -0.00000
     67       8.9433     -0.00000
     68       9.7480     -0.00000
     69      10.2044     -0.00000
     70      10.6380     -0.00000
     71      10.7557     -0.00000
     72      11.0981     -0.00000
     73      11.8177      0.00000
     74      12.3471      0.00000
     75      12.6290      0.00000
     76      13.1965      0.00000
     77      13.5817      0.00000
     78      14.0063      0.00000
     79      14.2510      0.00000
     80      14.6532      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8810      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5643      2.00000
      8      -0.8960      2.00000
      9      -0.3585      2.00000
     10      -0.0118      2.00000
     11       0.0809      2.00000
     12       0.4562      2.00000
     13       0.5115      2.00000
     14       0.6119      2.00000
     15       0.7089      2.00000
     16       0.7730      2.00000
     17       0.7894      2.00000
     18       0.8327      2.00000
     19       0.9103      2.00000
     20       1.0183      2.00000
     21       1.0445      2.00000
     22       1.1636      2.00000
     23       1.2570      2.00000
     24       1.3113      2.00000
     25       1.4051      2.00000
     26       1.4449      2.00000
     27       1.5189      2.00000
     28       1.6189      2.00000
     29       1.6842      2.00000
     30       1.7475      2.00000
     31       1.8015      2.00000
     32       1.8489      2.00000
     33       1.9281      2.00000
     34       2.0046      2.00000
     35       2.0388      2.00000
     36       2.0777      2.00000
     37       2.2254      2.00000
     38       2.2809      2.00000
     39       2.3060      2.00000
     40       2.4117      2.00000
     41       2.5586      2.00000
     42       2.6260      2.00000
     43       2.6400      2.00000
     44       2.7129      2.00000
     45       2.7471      2.00000
     46       2.8523      2.00000
     47       2.8947      2.00000
     48       2.9046      2.00000
     49       2.9474      2.00000
     50       3.0569      2.00000
     51       3.1493      2.00000
     52       3.3203      2.00000
     53       3.3444      2.00000
     54       3.4932      2.00000
     55       3.5788      2.00000
     56       3.7706      2.00000
     57       4.4031      2.00000
     58       5.2452      2.00000
     59       5.3149      2.00001
     60       5.9406      1.61182
     61       7.1187     -0.00000
     62       7.2233     -0.00000
     63       7.3451     -0.00000
     64       7.4646     -0.00000
     65       8.1193     -0.00000
     66       8.3846     -0.00000
     67       8.6202     -0.00000
     68       8.9879     -0.00000
     69       9.3040     -0.00000
     70       9.8082     -0.00000
     71      10.8770     -0.00000
     72      11.0820     -0.00000
     73      11.3524     -0.00000
     74      11.7242      0.00000
     75      12.4563      0.00000
     76      13.2078      0.00000
     77      13.3325      0.00000
     78      13.7145      0.00000
     79      13.9297      0.00000
     80      14.2665      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3814      2.00000
      9      -0.0548      2.00000
     10       0.1255      2.00000
     11       0.1652      2.00000
     12       0.4725      2.00000
     13       0.5077      2.00000
     14       0.5665      2.00000
     15       0.7069      2.00000
     16       0.8043      2.00000
     17       0.9223      2.00000
     18       0.9605      2.00000
     19       1.1354      2.00000
     20       1.1932      2.00000
     21       1.2207      2.00000
     22       1.2406      2.00000
     23       1.3507      2.00000
     24       1.4296      2.00000
     25       1.4505      2.00000
     26       1.5177      2.00000
     27       1.5768      2.00000
     28       1.6485      2.00000
     29       1.6757      2.00000
     30       1.7386      2.00000
     31       1.8418      2.00000
     32       1.9141      2.00000
     33       1.9822      2.00000
     34       2.0451      2.00000
     35       2.1267      2.00000
     36       2.1332      2.00000
     37       2.2134      2.00000
     38       2.2974      2.00000
     39       2.3293      2.00000
     40       2.3632      2.00000
     41       2.4688      2.00000
     42       2.5331      2.00000
     43       2.5526      2.00000
     44       2.6377      2.00000
     45       2.7168      2.00000
     46       2.7475      2.00000
     47       2.8437      2.00000
     48       2.8580      2.00000
     49       2.9614      2.00000
     50       3.0830      2.00000
     51       3.1928      2.00000
     52       3.2981      2.00000
     53       3.3649      2.00000
     54       3.4813      2.00000
     55       3.6056      2.00000
     56       3.7961      2.00000
     57       4.0833      2.00000
     58       4.2879      2.00000
     59       5.4983      2.00143
     60       5.8607      1.97617
     61       6.0186      1.00507
     62       6.3062     -0.06087
     63       6.7468     -0.00000
     64       7.2267     -0.00000
     65       7.6720     -0.00000
     66       8.0656     -0.00000
     67       8.2775     -0.00000
     68       8.8531     -0.00000
     69       9.4123     -0.00000
     70      10.3003     -0.00000
     71      10.4683     -0.00000
     72      10.5764     -0.00000
     73      11.3664     -0.00000
     74      11.8881      0.00000
     75      12.2731      0.00000
     76      12.9080      0.00000
     77      13.1777      0.00000
     78      13.6835      0.00000
     79      13.9185      0.00000
     80      14.6619      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4364      2.00000
      9      -0.1314      2.00000
     10       0.0660      2.00000
     11       0.1550      2.00000
     12       0.5156      2.00000
     13       0.5469      2.00000
     14       0.6541      2.00000
     15       0.7266      2.00000
     16       0.9109      2.00000
     17       0.9354      2.00000
     18       1.0476      2.00000
     19       1.1096      2.00000
     20       1.1514      2.00000
     21       1.2025      2.00000
     22       1.2578      2.00000
     23       1.3163      2.00000
     24       1.3980      2.00000
     25       1.4460      2.00000
     26       1.4879      2.00000
     27       1.5166      2.00000
     28       1.6784      2.00000
     29       1.7017      2.00000
     30       1.7627      2.00000
     31       1.8101      2.00000
     32       1.8904      2.00000
     33       1.9439      2.00000
     34       2.0018      2.00000
     35       2.0878      2.00000
     36       2.1963      2.00000
     37       2.2199      2.00000
     38       2.2877      2.00000
     39       2.3621      2.00000
     40       2.3817      2.00000
     41       2.4575      2.00000
     42       2.5128      2.00000
     43       2.5614      2.00000
     44       2.6731      2.00000
     45       2.7074      2.00000
     46       2.7545      2.00000
     47       2.8403      2.00000
     48       2.8854      2.00000
     49       2.9222      2.00000
     50       3.1312      2.00000
     51       3.1795      2.00000
     52       3.2606      2.00000
     53       3.4798      2.00000
     54       3.5777      2.00000
     55       3.6248      2.00000
     56       3.9167      2.00000
     57       4.3222      2.00000
     58       4.8956      2.00000
     59       5.0072      2.00000
     60       5.1948      2.00000
     61       5.6111      2.01399
     62       5.7821      2.07042
     63       6.7594     -0.00000
     64       7.1316     -0.00000
     65       7.7528     -0.00000
     66       7.9657     -0.00000
     67       8.7283     -0.00000
     68       9.5261     -0.00000
     69       9.9887     -0.00000
     70      10.1067     -0.00000
     71      10.4582     -0.00000
     72      10.6130     -0.00000
     73      11.1295     -0.00000
     74      11.8399      0.00000
     75      12.3194      0.00000
     76      12.7119      0.00000
     77      13.6418      0.00000
     78      14.0973      0.00000
     79      14.2405      0.00000
     80      14.5920      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0694      2.00000
      9      -0.3423      2.00000
     10      -0.0837      2.00000
     11       0.2798      2.00000
     12       0.4495      2.00000
     13       0.5316      2.00000
     14       0.5595      2.00000
     15       0.7032      2.00000
     16       0.8086      2.00000
     17       0.8525      2.00000
     18       0.9313      2.00000
     19       0.9675      2.00000
     20       1.0544      2.00000
     21       1.1015      2.00000
     22       1.1953      2.00000
     23       1.2367      2.00000
     24       1.2906      2.00000
     25       1.3579      2.00000
     26       1.4370      2.00000
     27       1.4785      2.00000
     28       1.5686      2.00000
     29       1.6159      2.00000
     30       1.7972      2.00000
     31       1.8290      2.00000
     32       1.8711      2.00000
     33       1.9768      2.00000
     34       2.0029      2.00000
     35       2.0559      2.00000
     36       2.1184      2.00000
     37       2.1403      2.00000
     38       2.2161      2.00000
     39       2.3453      2.00000
     40       2.4355      2.00000
     41       2.4794      2.00000
     42       2.6143      2.00000
     43       2.6698      2.00000
     44       2.6962      2.00000
     45       2.7945      2.00000
     46       2.8179      2.00000
     47       2.8798      2.00000
     48       2.9541      2.00000
     49       2.9946      2.00000
     50       3.0965      2.00000
     51       3.1343      2.00000
     52       3.2507      2.00000
     53       3.3339      2.00000
     54       3.4575      2.00000
     55       3.6413      2.00000
     56       4.0845      2.00000
     57       4.2590      2.00000
     58       5.1925      2.00000
     59       5.7814      2.07050
     60       5.9327      1.66183
     61       6.1099      0.31308
     62       6.5865     -0.00045
     63       6.8120     -0.00000
     64       7.2583     -0.00000
     65       7.6873     -0.00000
     66       8.3568     -0.00000
     67       9.2815     -0.00000
     68       9.4838     -0.00000
     69       9.9865     -0.00000
     70      10.3535     -0.00000
     71      11.2856     -0.00000
     72      11.4363     -0.00000
     73      11.8488      0.00000
     74      12.0002      0.00000
     75      12.4044      0.00000
     76      12.7937      0.00000
     77      13.4396      0.00000
     78      13.7177      0.00000
     79      13.8640      0.00000
     80      14.3442      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.5441      2.00000
      9      -0.5061      2.00000
     10      -0.4437      2.00000
     11       0.2280      2.00000
     12       0.2436      2.00000
     13       0.5026      2.00000
     14       0.5316      2.00000
     15       0.6067      2.00000
     16       0.6515      2.00000
     17       0.7019      2.00000
     18       0.8137      2.00000
     19       0.9164      2.00000
     20       0.9659      2.00000
     21       1.0007      2.00000
     22       1.0395      2.00000
     23       1.1307      2.00000
     24       1.1774      2.00000
     25       1.2358      2.00000
     26       1.4167      2.00000
     27       1.4524      2.00000
     28       1.4945      2.00000
     29       1.6062      2.00000
     30       1.6534      2.00000
     31       1.7490      2.00000
     32       1.8803      2.00000
     33       1.9084      2.00000
     34       2.0220      2.00000
     35       2.1145      2.00000
     36       2.2204      2.00000
     37       2.2703      2.00000
     38       2.3650      2.00000
     39       2.3895      2.00000
     40       2.4596      2.00000
     41       2.6053      2.00000
     42       2.6750      2.00000
     43       2.7002      2.00000
     44       2.7547      2.00000
     45       2.8490      2.00000
     46       2.8793      2.00000
     47       2.9164      2.00000
     48       3.0613      2.00000
     49       3.1158      2.00000
     50       3.1850      2.00000
     51       3.2295      2.00000
     52       3.2387      2.00000
     53       3.5448      2.00000
     54       3.6189      2.00000
     55       3.6644      2.00000
     56       3.8439      2.00000
     57       3.9642      2.00000
     58       4.5598      2.00000
     59       5.6463      2.02416
     60       6.3769     -0.02974
     61       6.7584     -0.00000
     62       7.5910     -0.00000
     63       7.8697     -0.00000
     64       8.6491     -0.00000
     65       8.8738     -0.00000
     66       9.2459     -0.00000
     67       9.4121     -0.00000
     68       9.5797     -0.00000
     69       9.8111     -0.00000
     70      10.6056     -0.00000
     71      11.1905     -0.00000
     72      11.5745      0.00000
     73      11.9839      0.00000
     74      12.2782      0.00000
     75      12.9451      0.00000
     76      13.1385      0.00000
     77      13.3958      0.00000
     78      13.9208      0.00000
     79      14.6074      0.00000
     80      14.7613      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8865      2.00000
      2     -39.8798      2.00000
      3     -39.8220      2.00000
      4     -39.6376      2.00000
      5     -39.6370      2.00000
      6     -39.5758      2.00000
      7     -39.5617      2.00000
      8      -1.5907      2.00000
      9      -0.8163      2.00000
     10      -0.5183      2.00000
     11       0.0864      2.00000
     12       0.1550      2.00000
     13       0.3624      2.00000
     14       0.4353      2.00000
     15       0.5726      2.00000
     16       0.6631      2.00000
     17       0.7984      2.00000
     18       0.8103      2.00000
     19       0.8786      2.00000
     20       0.8852      2.00000
     21       0.9437      2.00000
     22       1.0229      2.00000
     23       1.0458      2.00000
     24       1.0979      2.00000
     25       1.2719      2.00000
     26       1.3179      2.00000
     27       1.3925      2.00000
     28       1.4988      2.00000
     29       1.6338      2.00000
     30       1.6792      2.00000
     31       1.7733      2.00000
     32       1.8668      2.00000
     33       1.9741      2.00000
     34       2.0233      2.00000
     35       2.1962      2.00000
     36       2.2211      2.00000
     37       2.3409      2.00000
     38       2.4370      2.00000
     39       2.4677      2.00000
     40       2.4820      2.00000
     41       2.5183      2.00000
     42       2.6242      2.00000
     43       2.6371      2.00000
     44       2.6807      2.00000
     45       2.8381      2.00000
     46       2.8662      2.00000
     47       2.9553      2.00000
     48       2.9602      2.00000
     49       3.0151      2.00000
     50       3.1982      2.00000
     51       3.2844      2.00000
     52       3.4379      2.00000
     53       3.5678      2.00000
     54       3.6534      2.00000
     55       3.9758      2.00000
     56       4.1410      2.00000
     57       4.2009      2.00000
     58       4.5977      2.00000
     59       5.8668      1.95936
     60       6.2599     -0.07077
     61       6.5601     -0.00088
     62       7.3966     -0.00000
     63       7.9631     -0.00000
     64       8.1963     -0.00000
     65       8.8078     -0.00000
     66       9.1697     -0.00000
     67       9.2065     -0.00000
     68      11.0710     -0.00000
     69      11.4223     -0.00000
     70      11.5558      0.00000
     71      11.8271      0.00000
     72      12.2306      0.00000
     73      12.6565      0.00000
     74      13.1715      0.00000
     75      13.1852      0.00000
     76      13.3179      0.00000
     77      13.3850      0.00000
     78      13.8161      0.00000
     79      13.8689      0.00000
     80      14.0469      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6375      2.00000
      5     -39.6370      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.3406      2.00000
      9      -0.6333      2.00000
     10      -0.5066      2.00000
     11       0.0578      2.00000
     12       0.2049      2.00000
     13       0.4908      2.00000
     14       0.5691      2.00000
     15       0.6450      2.00000
     16       0.6656      2.00000
     17       0.7690      2.00000
     18       0.7992      2.00000
     19       0.9226      2.00000
     20       0.9315      2.00000
     21       0.9655      2.00000
     22       0.9962      2.00000
     23       1.1228      2.00000
     24       1.1544      2.00000
     25       1.1997      2.00000
     26       1.4001      2.00000
     27       1.4479      2.00000
     28       1.6036      2.00000
     29       1.6350      2.00000
     30       1.6834      2.00000
     31       1.7328      2.00000
     32       1.7948      2.00000
     33       1.9464      2.00000
     34       2.0495      2.00000
     35       2.0879      2.00000
     36       2.2118      2.00000
     37       2.2302      2.00000
     38       2.2950      2.00000
     39       2.4640      2.00000
     40       2.5010      2.00000
     41       2.5406      2.00000
     42       2.6479      2.00000
     43       2.6858      2.00000
     44       2.7236      2.00000
     45       2.7603      2.00000
     46       2.8553      2.00000
     47       2.9055      2.00000
     48       2.9976      2.00000
     49       3.0860      2.00000
     50       3.1335      2.00000
     51       3.2026      2.00000
     52       3.3158      2.00000
     53       3.4451      2.00000
     54       3.5335      2.00000
     55       3.7741      2.00000
     56       3.8967      2.00000
     57       5.0295      2.00000
     58       5.2244      2.00000
     59       5.7191      2.05528
     60       6.0278      0.92764
     61       6.8257     -0.00000
     62       7.3432     -0.00000
     63       7.4883     -0.00000
     64       7.6819     -0.00000
     65       8.1181     -0.00000
     66       8.2210     -0.00000
     67      10.1020     -0.00000
     68      10.3397     -0.00000
     69      10.5033     -0.00000
     70      11.1698     -0.00000
     71      11.1776     -0.00000
     72      11.6304      0.00000
     73      12.3541      0.00000
     74      12.4076      0.00000
     75      12.9172      0.00000
     76      13.1927      0.00000
     77      13.7329      0.00000
     78      13.8931      0.00000
     79      14.1111      0.00000
     80      14.4575      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8810      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -0.8867      2.00000
      9      -0.3396      2.00000
     10      -0.0191      2.00000
     11       0.0404      2.00000
     12       0.4862      2.00000
     13       0.5132      2.00000
     14       0.5969      2.00000
     15       0.7039      2.00000
     16       0.7603      2.00000
     17       0.7969      2.00000
     18       0.8420      2.00000
     19       0.8958      2.00000
     20       1.0145      2.00000
     21       1.0347      2.00000
     22       1.1405      2.00000
     23       1.2705      2.00000
     24       1.3589      2.00000
     25       1.4140      2.00000
     26       1.4918      2.00000
     27       1.5418      2.00000
     28       1.5645      2.00000
     29       1.6281      2.00000
     30       1.7742      2.00000
     31       1.8217      2.00000
     32       1.8832      2.00000
     33       1.9223      2.00000
     34       1.9863      2.00000
     35       2.0339      2.00000
     36       2.1227      2.00000
     37       2.1883      2.00000
     38       2.2510      2.00000
     39       2.2757      2.00000
     40       2.3308      2.00000
     41       2.5611      2.00000
     42       2.6124      2.00000
     43       2.6542      2.00000
     44       2.7311      2.00000
     45       2.7458      2.00000
     46       2.8673      2.00000
     47       2.8943      2.00000
     48       2.9333      2.00000
     49       2.9712      2.00000
     50       3.0660      2.00000
     51       3.1506      2.00000
     52       3.2867      2.00000
     53       3.3579      2.00000
     54       3.4239      2.00000
     55       3.5167      2.00000
     56       3.7332      2.00000
     57       4.6873      2.00000
     58       5.4266      2.00023
     59       5.6482      2.02481
     60       5.8325      2.03350
     61       6.7669     -0.00000
     62       6.9663     -0.00000
     63       7.1330     -0.00000
     64       7.2580     -0.00000
     65       8.4615     -0.00000
     66       8.5206     -0.00000
     67       8.6303     -0.00000
     68       8.8620     -0.00000
     69       9.2389     -0.00000
     70       9.6726     -0.00000
     71      10.9792     -0.00000
     72      11.1845     -0.00000
     73      11.4132     -0.00000
     74      11.9793      0.00000
     75      12.7667      0.00000
     76      13.0721      0.00000
     77      13.4891      0.00000
     78      13.6785      0.00000
     79      14.0155      0.00000
     80      14.3044      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3564      2.00000
      9      -0.1049      2.00000
     10       0.1191      2.00000
     11       0.1894      2.00000
     12       0.4776      2.00000
     13       0.5462      2.00000
     14       0.6044      2.00000
     15       0.6661      2.00000
     16       0.7710      2.00000
     17       0.9111      2.00000
     18       0.9676      2.00000
     19       1.0918      2.00000
     20       1.1663      2.00000
     21       1.2192      2.00000
     22       1.2379      2.00000
     23       1.3323      2.00000
     24       1.4170      2.00000
     25       1.5157      2.00000
     26       1.5250      2.00000
     27       1.5552      2.00000
     28       1.6421      2.00000
     29       1.7327      2.00000
     30       1.7647      2.00000
     31       1.8464      2.00000
     32       1.9111      2.00000
     33       1.9876      2.00000
     34       2.0601      2.00000
     35       2.1190      2.00000
     36       2.1945      2.00000
     37       2.2650      2.00000
     38       2.3225      2.00000
     39       2.3344      2.00000
     40       2.3797      2.00000
     41       2.4369      2.00000
     42       2.5519      2.00000
     43       2.5727      2.00000
     44       2.5831      2.00000
     45       2.6461      2.00000
     46       2.7122      2.00000
     47       2.7707      2.00000
     48       2.8350      2.00000
     49       2.9651      2.00000
     50       3.0604      2.00000
     51       3.1437      2.00000
     52       3.2011      2.00000
     53       3.3352      2.00000
     54       3.5483      2.00000
     55       3.6091      2.00000
     56       3.9692      2.00000
     57       4.2059      2.00000
     58       4.4376      2.00000
     59       5.2873      2.00000
     60       5.8443      2.01340
     61       5.9793      1.33061
     62       6.2274     -0.05779
     63       6.4801     -0.00530
     64       6.9610     -0.00000
     65       7.8370     -0.00000
     66       8.0953     -0.00000
     67       8.8578     -0.00000
     68       9.2172     -0.00000
     69       9.7382     -0.00000
     70       9.8151     -0.00000
     71      10.3603     -0.00000
     72      10.5980     -0.00000
     73      11.0565     -0.00000
     74      11.8350      0.00000
     75      12.6253      0.00000
     76      12.7500      0.00000
     77      13.2958      0.00000
     78      13.7563      0.00000
     79      14.3042      0.00000
     80      14.4150      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4301      2.00000
      9      -0.1212      2.00000
     10       0.0026      2.00000
     11       0.1525      2.00000
     12       0.5633      2.00000
     13       0.6052      2.00000
     14       0.6728      2.00000
     15       0.7964      2.00000
     16       0.8124      2.00000
     17       0.9298      2.00000
     18       0.9926      2.00000
     19       1.0745      2.00000
     20       1.1401      2.00000
     21       1.1737      2.00000
     22       1.2428      2.00000
     23       1.3503      2.00000
     24       1.4042      2.00000
     25       1.4248      2.00000
     26       1.4993      2.00000
     27       1.6275      2.00000
     28       1.6828      2.00000
     29       1.7271      2.00000
     30       1.7927      2.00000
     31       1.8438      2.00000
     32       1.8970      2.00000
     33       1.9147      2.00000
     34       2.0067      2.00000
     35       2.1237      2.00000
     36       2.1956      2.00000
     37       2.2218      2.00000
     38       2.2664      2.00000
     39       2.3208      2.00000
     40       2.3947      2.00000
     41       2.4705      2.00000
     42       2.5196      2.00000
     43       2.5582      2.00000
     44       2.6374      2.00000
     45       2.6652      2.00000
     46       2.7479      2.00000
     47       2.7859      2.00000
     48       2.8394      2.00000
     49       2.8831      2.00000
     50       3.1521      2.00000
     51       3.1532      2.00000
     52       3.3580      2.00000
     53       3.4719      2.00000
     54       3.5923      2.00000
     55       3.6277      2.00000
     56       3.7763      2.00000
     57       4.3674      2.00000
     58       4.5670      2.00000
     59       5.1558      2.00000
     60       5.6279      2.01837
     61       5.6991      2.04607
     62       6.4689     -0.00662
     63       6.5271     -0.00194
     64       6.8619     -0.00000
     65       6.9838     -0.00000
     66       7.3810     -0.00000
     67       9.0982     -0.00000
     68       9.2707     -0.00000
     69      10.2980     -0.00000
     70      10.6125     -0.00000
     71      10.8589     -0.00000
     72      11.5773      0.00000
     73      11.6256      0.00000
     74      11.8966      0.00000
     75      12.2622      0.00000
     76      12.6447      0.00000
     77      13.0057      0.00000
     78      13.1432      0.00000
     79      13.8999      0.00000
     80      14.3142      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0961      2.00000
      9      -0.2946      2.00000
     10      -0.1314      2.00000
     11       0.2471      2.00000
     12       0.5035      2.00000
     13       0.5657      2.00000
     14       0.5925      2.00000
     15       0.6775      2.00000
     16       0.7804      2.00000
     17       0.8749      2.00000
     18       0.9430      2.00000
     19       1.0396      2.00000
     20       1.1034      2.00000
     21       1.1449      2.00000
     22       1.1807      2.00000
     23       1.2023      2.00000
     24       1.2518      2.00000
     25       1.2896      2.00000
     26       1.3700      2.00000
     27       1.5072      2.00000
     28       1.5699      2.00000
     29       1.6534      2.00000
     30       1.6973      2.00000
     31       1.8173      2.00000
     32       1.8553      2.00000
     33       1.9717      2.00000
     34       2.0411      2.00000
     35       2.1066      2.00000
     36       2.1796      2.00000
     37       2.2386      2.00000
     38       2.2521      2.00000
     39       2.3075      2.00000
     40       2.3527      2.00000
     41       2.5491      2.00000
     42       2.6278      2.00000
     43       2.6551      2.00000
     44       2.7202      2.00000
     45       2.7541      2.00000
     46       2.8003      2.00000
     47       2.8277      2.00000
     48       2.9454      2.00000
     49       3.0167      2.00000
     50       3.0806      2.00000
     51       3.1522      2.00000
     52       3.2289      2.00000
     53       3.4339      2.00000
     54       3.4788      2.00000
     55       3.5804      2.00000
     56       3.7358      2.00000
     57       4.5449      2.00000
     58       4.7923      2.00000
     59       5.3768      2.00005
     60       5.9430      1.59577
     61       6.4767     -0.00568
     62       6.8179     -0.00000
     63       7.1685     -0.00000
     64       7.3794     -0.00000
     65       7.9770     -0.00000
     66       8.6464     -0.00000
     67       8.8239     -0.00000
     68       9.4870     -0.00000
     69       9.8801     -0.00000
     70       9.9809     -0.00000
     71      10.6133     -0.00000
     72      11.2409     -0.00000
     73      11.9297      0.00000
     74      12.2498      0.00000
     75      12.5501      0.00000
     76      13.2089      0.00000
     77      13.9495      0.00000
     78      14.0592      0.00000
     79      14.3772      0.00000
     80      14.5381      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.5296      2.00000
      9      -0.6174      2.00000
     10      -0.3295      2.00000
     11       0.1946      2.00000
     12       0.2526      2.00000
     13       0.4650      2.00000
     14       0.5319      2.00000
     15       0.6130      2.00000
     16       0.6377      2.00000
     17       0.7168      2.00000
     18       0.8269      2.00000
     19       0.9367      2.00000
     20       0.9662      2.00000
     21       1.0015      2.00000
     22       1.0687      2.00000
     23       1.1476      2.00000
     24       1.1680      2.00000
     25       1.2739      2.00000
     26       1.2857      2.00000
     27       1.4028      2.00000
     28       1.6066      2.00000
     29       1.6606      2.00000
     30       1.7206      2.00000
     31       1.7623      2.00000
     32       1.8426      2.00000
     33       1.8744      2.00000
     34       2.0099      2.00000
     35       2.0398      2.00000
     36       2.1366      2.00000
     37       2.3358      2.00000
     38       2.3663      2.00000
     39       2.4573      2.00000
     40       2.5337      2.00000
     41       2.5395      2.00000
     42       2.6061      2.00000
     43       2.6901      2.00000
     44       2.6950      2.00000
     45       2.8154      2.00000
     46       2.8539      2.00000
     47       2.8974      2.00000
     48       3.0716      2.00000
     49       3.1128      2.00000
     50       3.2031      2.00000
     51       3.2699      2.00000
     52       3.3239      2.00000
     53       3.4103      2.00000
     54       3.5934      2.00000
     55       3.7966      2.00000
     56       3.8290      2.00000
     57       4.0170      2.00000
     58       4.7253      2.00000
     59       5.6504      2.02560
     60       6.5237     -0.00209
     61       6.7698     -0.00000
     62       7.4822     -0.00000
     63       7.9543     -0.00000
     64       8.0349     -0.00000
     65       8.4235     -0.00000
     66       9.0616     -0.00000
     67       9.2039     -0.00000
     68      10.0777     -0.00000
     69      10.5476     -0.00000
     70      10.6624     -0.00000
     71      11.1402     -0.00000
     72      11.4888      0.00000
     73      12.0810      0.00000
     74      12.6178      0.00000
     75      13.0282      0.00000
     76      13.2848      0.00000
     77      13.4755      0.00000
     78      13.9403      0.00000
     79      14.2498      0.00000
     80      14.5149      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8864      2.00000
      2     -39.8798      2.00000
      3     -39.8220      2.00000
      4     -39.6375      2.00000
      5     -39.6370      2.00000
      6     -39.5758      2.00000
      7     -39.5617      2.00000
      8      -1.5917      2.00000
      9      -0.7436      2.00000
     10      -0.6220      2.00000
     11       0.0880      2.00000
     12       0.1914      2.00000
     13       0.3563      2.00000
     14       0.4350      2.00000
     15       0.5886      2.00000
     16       0.6382      2.00000
     17       0.7645      2.00000
     18       0.8012      2.00000
     19       0.8513      2.00000
     20       0.9194      2.00000
     21       0.9526      2.00000
     22       1.0792      2.00000
     23       1.1307      2.00000
     24       1.1708      2.00000
     25       1.2594      2.00000
     26       1.2665      2.00000
     27       1.2830      2.00000
     28       1.4869      2.00000
     29       1.6040      2.00000
     30       1.6439      2.00000
     31       1.7684      2.00000
     32       1.8107      2.00000
     33       1.9334      2.00000
     34       2.1384      2.00000
     35       2.1736      2.00000
     36       2.3607      2.00000
     37       2.3673      2.00000
     38       2.4130      2.00000
     39       2.4431      2.00000
     40       2.4799      2.00000
     41       2.5514      2.00000
     42       2.6364      2.00000
     43       2.6482      2.00000
     44       2.7420      2.00000
     45       2.8173      2.00000
     46       2.8542      2.00000
     47       2.9023      2.00000
     48       2.9867      2.00000
     49       3.0417      2.00000
     50       3.1874      2.00000
     51       3.2478      2.00000
     52       3.3792      2.00000
     53       3.6039      2.00000
     54       3.6465      2.00000
     55       3.9725      2.00000
     56       4.0647      2.00000
     57       4.2088      2.00000
     58       4.5927      2.00000
     59       5.7460      2.06587
     60       6.2428     -0.06686
     61       6.6992     -0.00002
     62       7.5329     -0.00000
     63       7.8708     -0.00000
     64       8.0303     -0.00000
     65       8.8305     -0.00000
     66       9.3500     -0.00000
     67       9.8118     -0.00000
     68      10.7458     -0.00000
     69      10.9297     -0.00000
     70      11.3865     -0.00000
     71      12.0042      0.00000
     72      12.0797      0.00000
     73      12.5282      0.00000
     74      12.9186      0.00000
     75      13.0399      0.00000
     76      13.2992      0.00000
     77      13.4198      0.00000
     78      13.8605      0.00000
     79      13.9419      0.00000
     80      14.2913      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6374      2.00000
      5     -39.6371      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.3759      2.00000
      9      -0.7089      2.00000
     10      -0.4236      2.00000
     11       0.1308      2.00000
     12       0.2054      2.00000
     13       0.5014      2.00000
     14       0.5700      2.00000
     15       0.6508      2.00000
     16       0.6582      2.00000
     17       0.7637      2.00000
     18       0.7794      2.00000
     19       0.9444      2.00000
     20       0.9575      2.00000
     21       0.9666      2.00000
     22       0.9960      2.00000
     23       1.1393      2.00000
     24       1.1832      2.00000
     25       1.2045      2.00000
     26       1.3854      2.00000
     27       1.4019      2.00000
     28       1.5258      2.00000
     29       1.6263      2.00000
     30       1.6367      2.00000
     31       1.8161      2.00000
     32       1.8631      2.00000
     33       1.9763      2.00000
     34       1.9988      2.00000
     35       2.1768      2.00000
     36       2.2190      2.00000
     37       2.2475      2.00000
     38       2.2731      2.00000
     39       2.3196      2.00000
     40       2.5665      2.00000
     41       2.5945      2.00000
     42       2.6280      2.00000
     43       2.6973      2.00000
     44       2.7605      2.00000
     45       2.8229      2.00000
     46       2.9021      2.00000
     47       2.9843      2.00000
     48       3.0144      2.00000
     49       3.1046      2.00000
     50       3.1570      2.00000
     51       3.2353      2.00000
     52       3.3045      2.00000
     53       3.4166      2.00000
     54       3.5739      2.00000
     55       3.7568      2.00000
     56       3.9040      2.00000
     57       4.0171      2.00000
     58       4.3570      2.00000
     59       6.2246     -0.05545
     60       6.6650     -0.00005
     61       7.1457     -0.00000
     62       7.3776     -0.00000
     63       7.9696     -0.00000
     64       8.1982     -0.00000
     65       8.3765     -0.00000
     66       8.7867     -0.00000
     67       9.6888     -0.00000
     68       9.8710     -0.00000
     69      10.1905     -0.00000
     70      10.3518     -0.00000
     71      10.8834     -0.00000
     72      11.3261     -0.00000
     73      11.9719      0.00000
     74      12.2496      0.00000
     75      12.6016      0.00000
     76      13.1219      0.00000
     77      13.5335      0.00000
     78      13.8522      0.00000
     79      14.3300      0.00000
     80      14.5933      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8810      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6371      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -0.9007      2.00000
      9      -0.4377      2.00000
     10       0.0703      2.00000
     11       0.1309      2.00000
     12       0.4086      2.00000
     13       0.5149      2.00000
     14       0.6605      2.00000
     15       0.6880      2.00000
     16       0.7586      2.00000
     17       0.7972      2.00000
     18       0.8402      2.00000
     19       0.9280      2.00000
     20       1.0387      2.00000
     21       1.0550      2.00000
     22       1.1353      2.00000
     23       1.2439      2.00000
     24       1.2858      2.00000
     25       1.3070      2.00000
     26       1.4096      2.00000
     27       1.4887      2.00000
     28       1.6935      2.00000
     29       1.7246      2.00000
     30       1.8122      2.00000
     31       1.8421      2.00000
     32       1.8610      2.00000
     33       1.9184      2.00000
     34       1.9807      2.00000
     35       2.0018      2.00000
     36       2.0528      2.00000
     37       2.2344      2.00000
     38       2.3232      2.00000
     39       2.3801      2.00000
     40       2.4932      2.00000
     41       2.5359      2.00000
     42       2.5780      2.00000
     43       2.6827      2.00000
     44       2.7143      2.00000
     45       2.7503      2.00000
     46       2.7771      2.00000
     47       2.8816      2.00000
     48       2.8930      2.00000
     49       2.9187      2.00000
     50       3.1002      2.00000
     51       3.1890      2.00000
     52       3.3481      2.00000
     53       3.3592      2.00000
     54       3.5982      2.00000
     55       3.7472      2.00000
     56       3.8294      2.00000
     57       4.0225      2.00000
     58       4.6599      2.00000
     59       4.8046      2.00000
     60       6.5802     -0.00053
     61       7.0385     -0.00000
     62       7.5110     -0.00000
     63       7.6136     -0.00000
     64       7.8161     -0.00000
     65       8.0124     -0.00000
     66       8.8031     -0.00000
     67       8.9018     -0.00000
     68       9.2065     -0.00000
     69       9.6192     -0.00000
     70       9.6809     -0.00000
     71       9.8627     -0.00000
     72      10.1263     -0.00000
     73      11.4526     -0.00000
     74      11.7557      0.00000
     75      11.9030      0.00000
     76      13.0080      0.00000
     77      13.2896      0.00000
     78      14.0459      0.00000
     79      14.3257      0.00000
     80      14.7368      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5672      2.00000
      8      -0.3532      2.00000
      9      -0.1044      2.00000
     10       0.1257      2.00000
     11       0.1649      2.00000
     12       0.4365      2.00000
     13       0.5506      2.00000
     14       0.6250      2.00000
     15       0.7271      2.00000
     16       0.7903      2.00000
     17       0.9001      2.00000
     18       0.9548      2.00000
     19       1.0959      2.00000
     20       1.1336      2.00000
     21       1.2034      2.00000
     22       1.2206      2.00000
     23       1.3620      2.00000
     24       1.3990      2.00000
     25       1.4658      2.00000
     26       1.5194      2.00000
     27       1.6779      2.00000
     28       1.7087      2.00000
     29       1.7485      2.00000
     30       1.7551      2.00000
     31       1.8531      2.00000
     32       1.8807      2.00000
     33       1.9547      2.00000
     34       2.0211      2.00000
     35       2.1347      2.00000
     36       2.1795      2.00000
     37       2.2562      2.00000
     38       2.2887      2.00000
     39       2.3696      2.00000
     40       2.3966      2.00000
     41       2.4490      2.00000
     42       2.5309      2.00000
     43       2.5875      2.00000
     44       2.6065      2.00000
     45       2.6549      2.00000
     46       2.6956      2.00000
     47       2.7464      2.00000
     48       2.7988      2.00000
     49       2.8806      2.00000
     50       3.0889      2.00000
     51       3.1401      2.00000
     52       3.1885      2.00000
     53       3.2349      2.00000
     54       3.5052      2.00000
     55       3.6091      2.00000
     56       3.9907      2.00000
     57       4.6481      2.00000
     58       4.6925      2.00000
     59       5.1019      2.00000
     60       5.6735      2.03464
     61       5.7733      2.07091
     62       6.0854      0.47225
     63       6.3719     -0.03175
     64       6.9784     -0.00000
     65       7.6632     -0.00000
     66       8.4548     -0.00000
     67       8.9906     -0.00000
     68       9.3576     -0.00000
     69       9.5072     -0.00000
     70       9.8360     -0.00000
     71      10.5673     -0.00000
     72      11.1033     -0.00000
     73      11.5062      0.00000
     74      11.7306      0.00000
     75      12.1682      0.00000
     76      12.5633      0.00000
     77      12.8047      0.00000
     78      13.5978      0.00000
     79      13.9309      0.00000
     80      14.2040      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8837      2.00000
      2     -39.8822      2.00000
      3     -39.8214      2.00000
      4     -39.6372      2.00000
      5     -39.6370      2.00000
      6     -39.5704      2.00000
      7     -39.5673      2.00000
      8      -0.4164      2.00000
      9      -0.1723      2.00000
     10       0.0647      2.00000
     11       0.1547      2.00000
     12       0.5422      2.00000
     13       0.6002      2.00000
     14       0.6932      2.00000
     15       0.7727      2.00000
     16       0.8092      2.00000
     17       0.8829      2.00000
     18       0.9689      2.00000
     19       1.1089      2.00000
     20       1.1386      2.00000
     21       1.2186      2.00000
     22       1.2940      2.00000
     23       1.3092      2.00000
     24       1.3829      2.00000
     25       1.4222      2.00000
     26       1.4794      2.00000
     27       1.5620      2.00000
     28       1.6833      2.00000
     29       1.7609      2.00000
     30       1.7952      2.00000
     31       1.8434      2.00000
     32       1.8736      2.00000
     33       1.9760      2.00000
     34       2.0681      2.00000
     35       2.0908      2.00000
     36       2.1456      2.00000
     37       2.2554      2.00000
     38       2.2884      2.00000
     39       2.2922      2.00000
     40       2.4561      2.00000
     41       2.4754      2.00000
     42       2.4865      2.00000
     43       2.5661      2.00000
     44       2.6538      2.00000
     45       2.6567      2.00000
     46       2.7328      2.00000
     47       2.8055      2.00000
     48       2.8150      2.00000
     49       2.8921      2.00000
     50       3.1033      2.00000
     51       3.1880      2.00000
     52       3.2575      2.00000
     53       3.4832      2.00000
     54       3.5749      2.00000
     55       3.6643      2.00000
     56       4.0598      2.00000
     57       4.5100      2.00000
     58       4.5862      2.00000
     59       4.8750      2.00000
     60       5.1692      2.00000
     61       5.6638      2.03066
     62       6.1255      0.22629
     63       6.3814     -0.02802
     64       7.5700     -0.00000
     65       7.7118     -0.00000
     66       8.0579     -0.00000
     67       8.4025     -0.00000
     68       8.9907     -0.00000
     69       9.7335     -0.00000
     70      10.2951     -0.00000
     71      10.5246     -0.00000
     72      11.2991     -0.00000
     73      11.6664      0.00000
     74      12.2227      0.00000
     75      12.4807      0.00000
     76      12.6154      0.00000
     77      13.4580      0.00000
     78      13.6899      0.00000
     79      14.2005      0.00000
     80      14.3357      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8851      2.00000
      2     -39.8809      2.00000
      3     -39.8216      2.00000
      4     -39.6373      2.00000
      5     -39.6370      2.00000
      6     -39.5732      2.00000
      7     -39.5644      2.00000
      8      -1.0311      2.00000
      9      -0.4522      2.00000
     10      -0.0396      2.00000
     11       0.3429      2.00000
     12       0.4510      2.00000
     13       0.5301      2.00000
     14       0.5885      2.00000
     15       0.6623      2.00000
     16       0.7552      2.00000
     17       0.8377      2.00000
     18       0.9361      2.00000
     19       1.0016      2.00000
     20       1.0354      2.00000
     21       1.1179      2.00000
     22       1.2084      2.00000
     23       1.2318      2.00000
     24       1.3107      2.00000
     25       1.3715      2.00000
     26       1.3960      2.00000
     27       1.4571      2.00000
     28       1.5203      2.00000
     29       1.6291      2.00000
     30       1.7912      2.00000
     31       1.8624      2.00000
     32       1.8807      2.00000
     33       1.9342      2.00000
     34       1.9857      2.00000
     35       2.0488      2.00000
     36       2.1377      2.00000
     37       2.1975      2.00000
     38       2.2730      2.00000
     39       2.3525      2.00000
     40       2.4619      2.00000
     41       2.5036      2.00000
     42       2.5109      2.00000
     43       2.6523      2.00000
     44       2.6891      2.00000
     45       2.7740      2.00000
     46       2.8205      2.00000
     47       2.8591      2.00000
     48       2.9432      2.00000
     49       3.0427      2.00000
     50       3.0968      2.00000
     51       3.1576      2.00000
     52       3.2496      2.00000
     53       3.3250      2.00000
     54       3.4989      2.00000
     55       3.6609      2.00000
     56       3.8603      2.00000
     57       4.7929      2.00000
     58       5.2394      2.00000
     59       5.3148      2.00001
     60       5.6085      2.01340
     61       6.3324     -0.04926
     62       6.5232     -0.00212
     63       7.2652     -0.00000
     64       7.3501     -0.00000
     65       7.7295     -0.00000
     66       8.0976     -0.00000
     67       8.9738     -0.00000
     68       9.6546     -0.00000
     69      10.0394     -0.00000
     70      10.4937     -0.00000
     71      10.6990     -0.00000
     72      10.9622     -0.00000
     73      11.3552     -0.00000
     74      12.4899      0.00000
     75      12.9760      0.00000
     76      13.3701      0.00000
     77      13.5910      0.00000
     78      14.0844      0.00000
     79      14.2884      0.00000
     80      14.8468      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8861      2.00000
      2     -39.8801      2.00000
      3     -39.8219      2.00000
      4     -39.6375      2.00000
      5     -39.6370      2.00000
      6     -39.5751      2.00000
      7     -39.5624      2.00000
      8      -1.4681      2.00000
      9      -0.7133      2.00000
     10      -0.3137      2.00000
     11       0.1632      2.00000
     12       0.2350      2.00000
     13       0.4933      2.00000
     14       0.5358      2.00000
     15       0.6298      2.00000
     16       0.6469      2.00000
     17       0.6856      2.00000
     18       0.8369      2.00000
     19       0.9020      2.00000
     20       0.9564      2.00000
     21       1.0021      2.00000
     22       1.0119      2.00000
     23       1.1645      2.00000
     24       1.1862      2.00000
     25       1.2732      2.00000
     26       1.3547      2.00000
     27       1.4459      2.00000
     28       1.5483      2.00000
     29       1.6178      2.00000
     30       1.6351      2.00000
     31       1.7120      2.00000
     32       1.9074      2.00000
     33       1.9843      2.00000
     34       2.0309      2.00000
     35       2.0960      2.00000
     36       2.2259      2.00000
     37       2.2659      2.00000
     38       2.3466      2.00000
     39       2.3491      2.00000
     40       2.4778      2.00000
     41       2.4809      2.00000
     42       2.6288      2.00000
     43       2.6818      2.00000
     44       2.7544      2.00000
     45       2.7784      2.00000
     46       2.8471      2.00000
     47       2.9622      2.00000
     48       3.0255      2.00000
     49       3.1155      2.00000
     50       3.1787      2.00000
     51       3.2128      2.00000
     52       3.2998      2.00000
     53       3.3842      2.00000
     54       3.6271      2.00000
     55       3.7997      2.00000
     56       3.8229      2.00000
     57       4.6393      2.00000
     58       5.2184      2.00000
     59       5.7798      2.07067
     60       6.0714      0.57462
     61       6.4738     -0.00601
     62       6.9129     -0.00000
     63       7.2433     -0.00000
     64       7.9103     -0.00000
     65       8.9147     -0.00000
     66       8.9533     -0.00000
     67       9.3449     -0.00000
     68       9.9464     -0.00000
     69      10.0766     -0.00000
     70      11.6447      0.00000
     71      11.9693      0.00000
     72      12.0909      0.00000
     73      12.2222      0.00000
     74      12.4933      0.00000
     75      12.9692      0.00000
     76      13.3304      0.00000
     77      13.6237      0.00000
     78      13.7959      0.00000
     79      13.9961      0.00000
     80      14.5430      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.162  -0.000  -0.000  -0.003  -0.000  -5.372  -0.000  -0.000
 -0.000  -5.160  -0.002   0.001  -0.002  -0.000  -5.370  -0.002
 -0.000  -0.002  -5.164  -0.001  -0.006  -0.000  -0.002  -5.374
 -0.003   0.001  -0.001  -5.168   0.000  -0.003   0.001  -0.001
 -0.000  -0.002  -0.006   0.000  -5.149  -0.000  -0.002  -0.005
 -5.372  -0.000  -0.000  -0.003  -0.000  -5.565  -0.000  -0.000
 -0.000  -5.370  -0.002   0.001  -0.002  -0.000  -5.564  -0.002
 -0.000  -0.002  -5.374  -0.001  -0.005  -0.000  -0.002  -5.567
 -0.003   0.001  -0.001  -5.379   0.000  -0.003   0.001  -0.001
 -0.000  -0.002  -0.005   0.000  -5.359  -0.000  -0.002  -0.005
 -0.000   0.002   0.001   0.000   0.001  -0.000   0.002   0.001
 -0.001   0.002   0.001   0.000   0.002  -0.001   0.002   0.001
 -0.000   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.002  -0.000   0.000   0.000  -0.002   0.002
 -0.000   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 -0.000   0.001   0.001   0.000   0.002  -0.000   0.001   0.001
  0.000  -0.002   0.002  -0.001   0.000   0.000  -0.002   0.002
 -0.001   0.000   0.000   0.001  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.016   0.009   0.031   0.012   0.009  -1.167  -0.013  -0.026  -0.052  -0.015   0.019  -0.005  -0.012   0.008   0.357  -0.000
  0.009   3.070  -0.254   0.022  -0.219  -0.013  -1.058   0.213  -0.012   0.172  -0.087   0.020  -0.004   0.167   0.008   0.001
  0.031  -0.254   2.625   0.009  -0.293  -0.026   0.213  -0.678  -0.018   0.218   0.088  -0.037  -0.112  -0.021  -0.003   0.006
  0.012   0.022   0.009   2.940   0.013  -0.052  -0.012  -0.018  -1.098  -0.007  -0.022   0.004   0.010   0.005  -0.007  -0.000
  0.009  -0.219  -0.293   0.013   3.087  -0.015   0.172   0.218  -0.007  -1.024  -0.137   0.065   0.050   0.000   0.018   0.008
 -1.167  -0.013  -0.026  -0.052  -0.015   1.224   0.017   0.022   0.087   0.019  -0.017   0.005   0.011  -0.007  -0.289  -0.000
 -0.013  -1.058   0.213  -0.012   0.172   0.017   0.980  -0.173   0.005  -0.128   0.081  -0.023  -0.007  -0.133  -0.007   0.000
 -0.026   0.213  -0.678  -0.018   0.218   0.022  -0.173   0.668   0.024  -0.154  -0.096   0.049   0.085   0.025   0.001  -0.002
 -0.052  -0.012  -0.018  -1.098  -0.007   0.087   0.005   0.024   1.154   0.002   0.021  -0.005  -0.009  -0.003  -0.001   0.000
 -0.015   0.172   0.218  -0.007  -1.024   0.019  -0.128  -0.154   0.002   0.915   0.129  -0.070  -0.053   0.002  -0.015  -0.000
  0.019  -0.087   0.088  -0.022  -0.137  -0.017   0.081  -0.096   0.021   0.129   2.092  -0.310  -0.039  -0.002   0.001   0.002
 -0.005   0.020  -0.037   0.004   0.065   0.005  -0.023   0.049  -0.005  -0.070  -0.310   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.004  -0.112   0.010   0.050   0.011  -0.007   0.085  -0.009  -0.053  -0.039   0.059   0.132   0.008  -0.001  -0.003
  0.008   0.167  -0.021   0.005   0.000  -0.007  -0.133   0.025  -0.003   0.002  -0.002  -0.004   0.008   0.125   0.002  -0.000
  0.357   0.008  -0.003  -0.007   0.018  -0.289  -0.007   0.001  -0.001  -0.015   0.001   0.002  -0.001   0.002   0.157   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.003  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.72: real time    1.72
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.81: real time    3.83
    STRESS:  cpu time    6.63: real time    6.66
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   19.80: real time   19.89
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.52: real time   21.62

 eigenvalue-minimisations  :  9280
 total energy-change (2. order) : 0.5170917E-04  (-0.2227073E-04)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0542976 magnetization 

 Broyden mixing:
  rms(total) = 0.45062E-02    rms(broyden)= 0.45059E-02
  rms(prec ) = 0.52841E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4353
  0.9956  1.8751

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.57424319
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43837050
  PAW double counting   =      9485.37143289    -9413.30284383
  entropy T*S    EENTRO =         0.00493829
  eigenvalues    EBANDS =      -339.23048724
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87764984 eV

  energy without entropy =      -49.88258813  energy(sigma->0) =      -49.87929594
981060
    -3.916928913  8.699657686  0.826735933     0.002687910  0.115786790  0.003898365
    -2.338368674 -0.186865227  7.162451530    -0.004969547 -0.015313261  0.137595046

  length of vectors
     4.114430121  9.576526942  7.536816210     0.275843373  0.115883574  0.138533711


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.346E+01 -.154E+03 0.255E+02   0.362E+01 0.157E+03 -.259E+02   -.163E+00 -.281E+01 0.411E+00   0.461E-04 -.349E-03 -.207E-03
   0.348E+01 0.154E+03 -.255E+02   -.364E+01 -.157E+03 0.259E+02   0.164E+00 0.281E+01 -.411E+00   -.516E-04 0.356E-03 0.207E-03
   0.318E+01 0.144E+03 0.787E+01   -.328E+01 -.146E+03 -.767E+01   0.962E-01 0.130E+01 -.210E+00   -.631E-04 0.260E-03 -.171E-03
   0.458E+00 -.639E+02 -.416E+02   -.426E+00 0.635E+02 0.425E+02   -.417E-01 0.344E+00 -.836E+00   0.150E-04 -.324E-03 0.159E-03
   0.575E+01 0.961E+02 -.958E+02   -.583E+01 -.974E+02 0.972E+02   0.905E-01 0.128E+01 -.139E+01   -.302E-05 -.157E-03 -.363E-03
   0.703E-01 -.172E-01 -.408E-02   -.700E-01 0.164E-01 0.444E-02   -.140E-02 0.120E-02 -.545E-03   0.396E-05 -.429E-05 0.198E-06
   -.577E+01 -.960E+02 0.957E+02   0.586E+01 0.973E+02 -.971E+02   -.903E-01 -.128E+01 0.139E+01   0.432E-06 0.156E-03 0.360E-03
   -.328E+01 -.144E+03 -.787E+01   0.338E+01 0.146E+03 0.767E+01   -.925E-01 -.131E+01 0.211E+00   0.562E-04 -.254E-03 0.165E-03
   -.519E+00 0.639E+02 0.417E+02   0.486E+00 -.635E+02 -.426E+02   0.440E-01 -.344E+00 0.834E+00   -.212E-04 0.321E-03 -.161E-03
   0.880E-02 -.142E-01 -.617E-03   -.842E-02 0.139E-01 0.626E-03   -.621E-03 0.893E-03 -.170E-04   0.126E-06 -.127E-06 0.270E-06
   0.921E+00 0.887E+01 -.277E+02   -.925E+00 -.872E+01 0.276E+02   0.117E-02 -.144E+00 0.583E-01   -.572E-05 -.676E-05 -.249E-04
   -.882E+00 -.890E+01 0.277E+02   0.887E+00 0.875E+01 -.277E+02   -.309E-02 0.147E+00 -.582E-01   0.614E-05 0.105E-04 0.195E-04
   0.756E+00 -.810E+01 -.210E+02   -.716E+00 0.814E+01 0.207E+02   -.400E-01 -.357E-01 0.256E+00   0.103E-05 -.358E-04 0.774E-04
   -.156E+01 -.612E+02 0.314E+01   0.156E+01 0.611E+02 -.344E+01   0.403E-04 0.810E-01 0.299E+00   -.348E-05 0.297E-04 -.110E-04
   -.726E+00 0.803E+01 0.210E+02   0.687E+00 -.807E+01 -.207E+02   0.378E-01 0.384E-01 -.255E+00   -.536E-06 0.364E-04 -.770E-04
   0.158E+01 0.612E+02 -.316E+01   -.157E+01 -.611E+02 0.345E+01   -.718E-03 -.817E-01 -.299E+00   0.377E-05 -.296E-04 0.109E-04
 -----------------------------------------------------------------------------------------------
   -.752E-03 0.128E-02 0.274E-03   0.144E-13 0.000E+00 0.533E-13   0.613E-03 -.429E-04 0.427E-03   -.159E-04 0.774E-05 -.160E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.08625      6.24778      7.83027         0.000190      0.002543      0.005884
     -2.92031      8.05286      4.44595        -0.000168     -0.003246     -0.006149
     -1.05235      1.10054      4.61203        -0.003191      0.000792     -0.006380
     -2.90681      5.18626      2.36208        -0.009545      0.004048     -0.010387
      1.19211      1.82122      0.29177         0.006993     -0.001594     -0.004540
     -3.10018      2.85050      5.65606        -0.001115      0.000296     -0.000229
     -0.94334      3.96674      3.99514        -0.006559     -0.000542      0.006009
     -1.03759      4.50054      6.83733         0.005543     -0.001569      0.006263
      3.15542      0.60069      1.92485         0.010751     -0.003683      0.009030
     -5.05851      7.20025      6.06936        -0.000227      0.000509     -0.000051
     -0.84927      3.60148      1.22312        -0.003365      0.005630      0.002290
      1.09837      2.18527      3.06403         0.002164     -0.003949     -0.002565
     -0.85217      6.63124      3.38374         0.000050      0.006485     -0.001480
     -3.00789      5.44288      5.09101        -0.000045     -0.000936      0.002046
     -2.81558      7.85537      1.72983        -0.001255     -0.004619      0.001963
      0.91842      0.15830      6.35833        -0.000221     -0.000166     -0.001704
 -----------------------------------------------------------------------------------
    total drift:                               -0.000155      0.001243      0.000685


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87189475 eV

  energy  without entropy=      -49.87493320  energy(sigma->0) =      -49.87290757
 


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  301.70: real time  304.27


----------------------------------------- Iteration    2(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.02: real time   17.06
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.79: real time   18.84

 eigenvalue-minimisa     EDDAV:  cpu time   17.80: real time   17.90
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.53: real time   19.63

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.3375570E-04  (-0.5754548E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0537331 magnetization 

 Broyden mixing:
  rms(total) = 0.12299E-02    rms(broyden)= 0.12299E-02
  rms(prec ) = 0.13429E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3821
  2.1441  1.1459  0.8561

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60980412
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44302605
  PAW double counting   =      9484.38272671    -9412.31799380
  entropy T*S    EENTRO =         0.00492459
  eigenvalues    EBANDS =      -339.19567826
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy        EDDAV:  cpu time   17.56: real time   17.60
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.31: real time   19.38

 eigenvalue-minimisations  :  7888
 total energy-change (2. order) : 0.3454844E-02  (-0.9415574E-03)
 number of electron     120.0000057     EDDAV:  cpu time   19.46: real time   19.54
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.22: real time   21.32

 eigenvalue-minimisations  :  9072
 total energy-change (2. order) : 0.1165057E-05  (-0.5764010E-06)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0540860 magnetization 

 Broyden mixing:
  rms(total) = 0.54006E-03    rms(broyden)= 0.54001E-03
  rms(prec ) = 0.56679E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3831
  2.0430  1.6961  0.9204  0.8729

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60528771
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44356379
  PAW double counting   =      9484.29122485    -9412.22890608
  entropy T*S    EENTRO =         0.00492312
  eigenvalues    EBANDS =      -339.19831564
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87761492 eV

  energy without entropy =      -49.88253    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.51: real time   19.57

 eigenvalue-minimisations  :  7984
 total energy-change (2. order) : 0.4665091E-03  (-0.6958263E-04)
 number of electron     120.0000057 magnetization 
 augment     EDDAV:  cpu time   17.75: real time   17.83
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.78: real time   17.87

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.4640060E-07  (-0.4712227E-07)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0540860 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60519323
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44360608
  PAW double counting   =      9484.28720040    -9412.22636341
  entropy T*S    EENTRO =         0.00492400
  eigenvalues    EBANDS =      -339.19697146
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87761487 eV

  energy without entropy =      -49.88253887  energy(sigma->0) =      -49.87925620


----------------------------------------- Iteration    2(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.80: real time   17.84
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.57: real time   19.63

 eigenvalue-minimisations  :  8016
 total energy-change (2. order) : 0.1783715E-03  (-0.2799766E-04)
 number of electron     120.0000057 magnetization 
 augmentation part       42.0530762 magnetization 

 Broyden mixing:
  rms(total) = 0.24825E-02    rms(broyden)= 0.24824E-02
  rms(prec ) = 0.27591E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3968
  2.1499  0.9931  1.0475

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.43108623
  Ewald energy   TEWEN  =     -8364.88791387
  -1/2 Hartree   DENC   =     -1863.33049696
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45224159
  PAW double counting   =      9481.73656782    -9409.59824758
  entropy T*S    EENTRO =         0.00354805
  eigenvalues    EBANDS =      -337.88954602
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87318544 eV

  energy without entropy =      -49.87673348  energy(sigma->0) =      -49.87436812
3      2.00000
     24       1.1839      2.00000
     25       1.2156      2.00000
     26       1.2799      2.00000
     27       1.3101      2.00000
     28       1.5766      2.00000
     29       1.6477      2.00000
     30       1.7057      2.00000
     31       1.7352      2.00000
     32       1.7856      2.00000
     33       1.9156      2.00000
     34       1.9343      2.00000
     35       2.1441      2.00000
     36       2.1697      2.00000
     37       2.2680      2.00000
     38       2.3072      2.00000
     39       2.4412      2.00000
     40       2.5281      2.00000
     41       2.5805      2.00000
     42       2.6334      2.00000
     43       2.7179      2.00000
     44       2.8609      2.00000
     45       2.8686      2.00000
     46       2.9007      2.00000
     47       2.9936      2.00000
     48       3.0366      2.00000
     49       3.0956      2.00000
     50       3.1262      2.00000
     51       3.3223      2.00000
     52       3.3776      2.00000
     53       3.4948      2.00000
     54       3.5781      2.00000
     55       3.8851      2.00000
     56       4.0657      2.00000
     57       4.2233      2.00000
     58       4.2262      2.00000
     59       4.9428      2.00000
     60       5.6143      2.01660
     61       6.2733     -0.06907
     62       8.1899     -0.00000
     63       8.2861     -0.00000
     64       8.3170     -0.00000
     65       8.9265     -0.00000
     66       9.6638     -0.00000
     67      10.3770     -0.00000
     68      10.7322     -0.00000
     69      11.4710     -0.00000
     70      11.7599      0.00000
     71      11.8162      0.00000
     72      12.0547      0.00000
     73      12.2623      0.00000
     74      12.3379      0.00000
     75      12.5044      0.00000
     76      12.7839      0.00000
     77      13.2878      0.00000
     78      13.6543      0.00000
     79      13.7835      0.00000
     80      14.6299      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.6744      2.00000
      9      -0.5753      2.00000
     10      -0.2761      2.00000
     11       0.2587      2.00000
     12       0.2763      2.00000
     13       0.3847      2.00000
     14       0.4617      2.00000
     15       0.5966      2.00000
     16       0.6099      2.00000
     17       0.7276      2.00000
     18       0.8209      2.00000
     19       0.9064      2.00000
     20       0.9326      2.00000
     21       0.9702      2.00000
     22       1.0965      2.00000
     23       1.1131      2.00000
     24       1.1937      2.00000
     25       1.2453      2.00000
     26       1.3471      2.00000
     27       1.3763      2.00000
     28       1.4914      2.00000
     29       1.6218      2.00000
     30       1.6594      2.00000
     31       1.7482      2.00000
     32       1.8167      2.00000
     33       1.8494      2.00000
     34       2.0056      2.00000
     35       2.0265      2.00000
     36       2.1661      2.00000
     37       2.2482      2.00000
     38       2.3548      2.00000
     39       2.4494      2.00000
     40       2.4975      2.00000
     41       2.5585      2.00000
     42       2.6016      2.00000
     43       2.6786      2.00000
     44       2.7291      2.00000
     45       2.7974      2.00000
     46       2.8153      2.00000
     47       2.9182      2.00000
     48       3.0461      2.00000
     49       3.1079      2.00000
     50       3.1901      2.00000
     51       3.2325      2.00000
     52       3.2663      2.00000
     53       3.4118      2.00000
     54       3.6106      2.00000
     55       3.7053      2.00000
     56       3.8424      2.00000
     57       4.0894      2.00000
     58       4.5770      2.00000
     59       5.5046      2.00196
     60       6.2718     -0.06937
     61       6.7874     -0.00000
     62       7.0949     -0.00000
     63       7.7080     -0.00000
     64       8.1619     -0.00000
     65       8.5768     -0.00000
     66       8.7137     -0.00000
     67       9.6315     -0.00000
     68      10.2872     -0.00000
     69      10.6072     -0.00000
     70      10.6556     -0.00000
     71      11.1225     -0.00000
     72      11.7144      0.00000
     73      12.5452      0.00000
     74      12.9356      0.00000
     75      13.2213      0.00000
     76      13.2860      0.00000
     77      13.4704      0.00000
     78      13.8537      0.00000
     79      14.4407      0.00000
     80      14.7061      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0339      2.00000
      9      -0.4154      2.00000
     10      -0.1283      2.00000
     11       0.3182      2.00000
     12       0.4190      2.00000
     13       0.4967      2.00000
     14       0.5832      2.00000
     15       0.6440      2.00000
     16       0.7314      2.00000
     17       0.8355      2.00000
     18       0.9125      2.00000
     19       0.9930      2.00000
     20       1.0381      2.00000
     21       1.0716      2.00000
     22       1.1713      2.00000
     23       1.2243      2.00000
     24       1.2772      2.00000
     25       1.3084      2.00000
     26       1.3555      2.00000
     27       1.4507      2.00000
     28       1.5491      2.00000
     29       1.6000      2.00000
     30       1.7215      2.00000
     31       1.8069      2.00000
     32       1.8541      2.00000
     33       1.9535      2.00000
     34       2.0105      2.00000
     35       2.1043      2.00000
     36       2.1184      2.00000
     37       2.1825      2.00000
     38       2.2471      2.00000
     39       2.3022      2.00000
     40       2.3963      2.00000
     41       2.4839      2.00000
     42       2.5322      2.00000
     43       2.6502      2.00000
     44       2.6879      2.00000
     45       2.7392      2.00000
     46       2.7894      2.00000
     47       2.8348      2.00000
     48       2.9211      2.00000
     49       3.0075      2.00000
     50       3.0938      2.00000
     51       3.1371      2.00000
     52       3.2318      2.00000
     53       3.3574      2.00000
     54       3.4509      2.00000
     55       3.5738      2.00000
     56       3.8148      2.00000
     57       4.6083      2.00000
     58       5.0006      2.00000
     59       5.4400      2.00040
     60       5.7803      2.06944
     61       6.4744     -0.00514
     62       6.8304     -0.00000
     63       6.9782     -0.00000
     64       7.5221     -0.00000
     65       7.9877     -0.00000
     66       8.3356     -0.00000
     67       8.6855     -0.00000
     68       9.4155     -0.00000
     69       9.7960     -0.00000
     70      10.3473     -0.00000
     71      10.4668     -0.00000
     72      10.7821     -0.00000
     73      11.3999     -0.00000
     74      12.1781      0.00000
     75      13.1161      0.00000
     76      13.6788      0.00000
     77      13.7454      0.00000
     78      13.8735      0.00000
     79      14.2784      0.00000
     80      14.6818      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3923      2.00000
      9      -0.1118      2.00000
     10       0.0876      2.00000
     11       0.1612      2.00000
     12       0.4823      2.00000
     13       0.5056      2.00000
     14       0.5582      2.00000
     15       0.6316      2.00000
     16       0.8232      2.00000
     17       0.9155      2.00000
     18       0.9298      2.00000
     19       1.1086      2.00000
     20       1.1641      2.00000
     21       1.1797      2.00000
     22       1.2651      2.00000
     23       1.3668      2.00000
     24       1.3870      2.00000
     25       1.4035      2.00000
     26       1.4726      2.00000
     27       1.5125      2.00000
     28       1.6417      2.00000
     29       1.6795      2.00000
     30       1.7303      2.00000
     31       1.7980      2.00000
     32       1.9073      2.00000
     33       1.9498      2.00000
     34       2.0586      2.00000
     35       2.1411      2.00000
     36       2.1578      2.00000
     37       2.1794      2.00000
     38       2.2751      2.00000
     39       2.3105      2.00000
     40       2.3658      2.00000
     41       2.4588      2.00000
     42       2.4748      2.00000
     43       2.5445      2.00000
     44       2.6351      2.00000
     45       2.6680      2.00000
     46       2.7543      2.00000
     47       2.7967      2.00000
     48       2.8346      2.00000
     49       2.9175      2.00000
     50       3.0566      2.00000
     51       3.1576      2.00000
     52       3.2650      2.00000
     53       3.3594      2.00000
     54       3.5493      2.00000
     55       3.6348      2.00000
     56       3.8170      2.00000
     57       4.1419      2.00000
     58       4.2899      2.00000
     59       5.1293      2.00000
     60       5.8617      1.95322
     61       6.0459      0.71768
     62       6.1658      0.03661
     63       6.8110     -0.00000
     64       7.0713     -0.00000
     65       7.6624     -0.00000
     66       8.2133     -0.00000
     67       8.4793     -0.00000
     68       8.8248     -0.00000
     69       9.4764     -0.00000
     70       9.7653     -0.00000
     71      10.5185     -0.00000
     72      10.9589     -0.00000
     73      11.1321     -0.00000
     74      11.7742      0.00000
     75      12.2739      0.00000
     76      12.7530      0.00000
     77      13.4032      0.00000
     78      13.7686      0.00000
     79      13.9483      0.00000
     80      14.6373      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4469      2.00000
      9      -0.1817      2.00000
     10       0.0345      2.00000
     11       0.1351      2.00000
     12       0.5001      2.00000
     13       0.5240      2.00000
     14       0.7007      2.00000
     15       0.7384      2.00000
     16       0.8712      2.00000
     17       0.9106      2.00000
     18       0.9863      2.00000
     19       1.0635      2.00000
     20       1.0833      2.00000
     21       1.2371      2.00000
     22       1.2776      2.00000
     23       1.3249      2.00000
     24       1.3817      2.00000
     25       1.3903      2.00000
     26       1.4420      2.00000
     27       1.4891      2.00000
     28       1.6654      2.00000
     29       1.6981      2.00000
     30       1.7420      2.00000
     31       1.7994      2.00000
     32       1.8731      2.00000
     33       1.9018      2.00000
     34       2.0388      2.00000
     35       2.0770      2.00000
     36       2.1400      2.00000
     37       2.1570      2.00000
     38       2.2252      2.00000
     39       2.3336      2.00000
     40       2.4370      2.00000
     41       2.4591      2.00000
     42       2.5368      2.00000
     43       2.5790      2.00000
     44       2.6205      2.00000
     45       2.6732      2.00000
     46       2.7288      2.00000
     47       2.8027      2.00000
     48       2.8440      2.00000
     49       2.9048      2.00000
     50       3.0926      2.00000
     51       3.1758      2.00000
     52       3.2009      2.00000
     53       3.5129      2.00000
     54       3.5458      2.00000
     55       3.7377      2.00000
     56       4.1982      2.00000
     57       4.3870      2.00000
     58       4.5600      2.00000
     59       4.7171      2.00000
     60       5.1806      2.00000
     61       5.6095      2.01535
     62       6.0778      0.47544
     63       6.0960      0.35375
     64       7.0990     -0.00000
     65       8.2576     -0.00000
     66       8.3916     -0.00000
     67       8.8985     -0.00000
     68       9.1496     -0.00000
     69       9.2442     -0.00000
     70       9.9528     -0.00000
     71      10.4575     -0.00000
     72      10.5927     -0.00000
     73      11.3478     -0.00000
     74      11.9091      0.00000
     75      12.5678      0.00000
     76      13.1523      0.00000
     77      13.5110      0.00000
     78      13.8647      0.00000
     79      14.1200      0.00000
     80      14.4456      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.1645      2.00000
      9      -0.4831      2.00000
     10       0.0217      2.00000
     11       0.1458      2.00000
     12       0.5169      2.00000
     13       0.5852      2.00000
     14       0.6470      2.00000
     15       0.6850      2.00000
     16       0.8162      2.00000
     17       0.8325      2.00000
     18       0.8674      2.00000
     19       0.9553      2.00000
     20       1.0842      2.00000
     21       1.1267      2.00000
     22       1.1826      2.00000
     23       1.2062      2.00000
     24       1.3024      2.00000
     25       1.3354      2.00000
     26       1.3908      2.00000
     27       1.4405      2.00000
     28       1.4739      2.00000
     29       1.6342      2.00000
     30       1.7326      2.00000
     31       1.7567      2.00000
     32       1.8351      2.00000
     33       1.8966      2.00000
     34       1.9553      2.00000
     35       2.0522      2.00000
     36       2.1552      2.00000
     37       2.2196      2.00000
     38       2.2913      2.00000
     39       2.3561      2.00000
     40       2.4343      2.00000
     41       2.5131      2.00000
     42       2.5514      2.00000
     43       2.5991      2.00000
     44       2.6522      2.00000
     45       2.7637      2.00000
     46       2.7881      2.00000
     47       2.8715      2.00000
     48       2.8830      2.00000
     49       3.0405      2.00000
     50       3.0853      2.00000
     51       3.1312      2.00000
     52       3.2057      2.00000
     53       3.3155      2.00000
     54       3.5239      2.00000
     55       3.6933      2.00000
     56       4.0932      2.00000
     57       4.4497      2.00000
     58       4.8401      2.00000
     59       5.4895      2.00138
     60       5.6945      2.04730
     61       6.0761      0.48705
     62       6.3564     -0.03518
     63       6.9648     -0.00000
     64       7.1766     -0.00000
     65       7.5756     -0.00000
     66       8.2141     -0.00000
     67       8.9762     -0.00000
     68       9.2456     -0.00000
     69      10.2300     -0.00000
     70      11.0321     -0.00000
     71      11.3088     -0.00000
     72      11.6754      0.00000
     73      12.1132      0.00000
     74      12.3588      0.00000
     75      12.7807      0.00000
     76      13.4158      0.00000
     77      13.6221      0.00000
     78      13.8916      0.00000
     79      14.2820      0.00000
     80      14.4053      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7957      2.00000
      4     -39.6613      2.00000
      5     -39.6611      2.00000
      6     -39.6175      2.00000
      7     -39.6043      2.00000
      8      -1.7586      2.00000
      9      -0.6378      2.00000
     10       0.0387      2.00000
     11       0.1763      2.00000
     12       0.3256      2.00000
     13       0.3357      2.00000
     14       0.4012      2.00000
     15       0.6224      2.00000
     16       0.6416      2.00000
     17       0.7310      2.00000
     18       0.8099      2.00000
     19       0.8816      2.00000
     20       0.9051      2.00000
     21       1.0569      2.00000
     22       1.0627      2.00000
     23       1.1466      2.00000
     24       1.2145      2.00000
     25       1.2740      2.00000
     26       1.2979      2.00000
     27       1.3288      2.00000
     28       1.4578      2.00000
     29       1.6584      2.00000
     30       1.6766      2.00000
     31       1.7651      2.00000
     32       1.8245      2.00000
     33       1.8952      2.00000
     34       1.9192      2.00000
     35       2.0749      2.00000
     36       2.1498      2.00000
     37       2.2773      2.00000
     38       2.3273      2.00000
     39       2.3765      2.00000
     40       2.4806      2.00000
     41       2.5159      2.00000
     42       2.6125      2.00000
     43       2.7338      2.00000
     44       2.7903      2.00000
     45       2.8197      2.00000
     46       2.8660      2.00000
     47       2.9281      2.00000
     48       3.0179      2.00000
     49       3.0862      2.00000
     50       3.1188      2.00000
     51       3.2041      2.00000
     52       3.2601      2.00000
     53       3.4307      2.00000
     54       3.6718      2.00000
     55       3.7847      2.00000
     56       3.9409      2.00000
     57       4.1159      2.00000
     58       4.8521      2.00000
     59       5.0391      2.00000
     60       5.5547      2.00570
     61       6.7149     -0.00001
     62       7.1685     -0.00000
     63       7.7213     -0.00000
     64       8.2211     -0.00000
     65       8.6992     -0.00000
     66       8.9729     -0.00000
     67       9.3817     -0.00000
     68      10.1828     -0.00000
     69      10.7578     -0.00000
     70      10.8190     -0.00000
     71      11.4061     -0.00000
     72      12.4656      0.00000
     73      12.8882      0.00000
     74      13.0610      0.00000
     75      13.2614      0.00000
     76      13.4339      0.00000
     77      13.8026      0.00000
     78      13.8714      0.00000
     79      14.3011      0.00000
     80      14.4126      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6182      2.00000
      7     -39.6035      2.00000
      8      -1.8661      2.00000
      9      -0.9002      2.00000
     10      -0.0341      2.00000
     11       0.1600      2.00000
     12       0.2048      2.00000
     13       0.2906      2.00000
     14       0.4263      2.00000
     15       0.5786      2.00000
     16       0.6078      2.00000
     17       0.6188      2.00000
     18       0.6838      2.00000
     19       0.7700      2.00000
     20       0.8389      2.00000
     21       0.9305      2.00000
     22       1.0345      2.00000
     23       1.0741      2.00000
     24       1.2459      2.00000
     25       1.2954      2.00000
     26       1.3914      2.00000
     27       1.4156      2.00000
     28       1.5844      2.00000
     29       1.6035      2.00000
     30       1.6421      2.00000
     31       1.6972      2.00000
     32       1.7989      2.00000
     33       1.8801      2.00000
     34       1.9379      2.00000
     35       2.1603      2.00000
     36       2.2187      2.00000
     37       2.2237      2.00000
     38       2.2876      2.00000
     39       2.4371      2.00000
     40       2.4944      2.00000
     41       2.6137      2.00000
     42       2.6542      2.00000
     43       2.6630      2.00000
     44       2.8122      2.00000
     45       2.8334      2.00000
     46       2.8769      2.00000
     47       2.9008      2.00000
     48       3.0529      2.00000
     49       3.1021      2.00000
     50       3.1428      2.00000
     51       3.3144      2.00000
     52       3.3591      2.00000
     53       3.4506      2.00000
     54       3.6266      2.00000
     55       3.9494      2.00000
     56       4.2158      2.00000
     57       4.2250      2.00000
     58       4.3407      2.00000
     59       4.8867      2.00000
     60       6.2736     -0.06900
     61       6.4830     -0.00432
     62       6.9140     -0.00000
     63       7.1991     -0.00000
     64       8.8109     -0.00000
     65       9.5449     -0.00000
     66       9.7011     -0.00000
     67       9.8908     -0.00000
     68      10.9747     -0.00000
     69      11.1903     -0.00000
     70      11.2811     -0.00000
     71      11.4495     -0.00000
     72      12.3032      0.00000
     73      12.6839      0.00000
     74      13.1263      0.00000
     75      13.3890      0.00000
     76      13.5158      0.00000
     77      13.8121      0.00000
     78      13.9811      0.00000
     79      14.2625      0.00000
     80      14.5179      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5855      2.00000
      9      -0.8201      2.00000
     10      -0.1505      2.00000
     11       0.2225      2.00000
     12       0.2616      2.00000
     13       0.4199      2.00000
     14       0.4998      2.00000
     15       0.5722      2.00000
     16       0.6164      2.00000
     17       0.6835      2.00000
     18       0.7823      2.00000
     19       0.8826      2.00000
     20       0.9549      2.00000
     21       0.9792      2.00000
     22       1.0486      2.00000
     23       1.1508      2.00000
     24       1.2123      2.00000
     25       1.2898      2.00000
     26       1.3653      2.00000
     27       1.3961      2.00000
     28       1.5261      2.00000
     29       1.5584      2.00000
     30       1.6141      2.00000
     31       1.6656      2.00000
     32       1.8824      2.00000
     33       1.9616      2.00000
     34       2.0141      2.00000
     35       2.1535      2.00000
     36       2.1796      2.00000
     37       2.2609      2.00000
     38       2.3097      2.00000
     39       2.3572      2.00000
     40       2.3813      2.00000
     41       2.4412      2.00000
     42       2.6474      2.00000
     43       2.6640      2.00000
     44       2.7686      2.00000
     45       2.7852      2.00000
     46       2.8344      2.00000
     47       2.9765      2.00000
     48       3.0028      2.00000
     49       3.1102      2.00000
     50       3.1716      2.00000
     51       3.1814      2.00000
     52       3.3000      2.00000
     53       3.4505      2.00000
     54       3.6394      2.00000
     55       3.6943      2.00000
     56       3.8825      2.00000
     57       4.4295      2.00000
     58       4.8950      2.00000
     59       5.5367      2.00395
     60       5.8474      1.99131
     61       6.4996     -0.00304
     62       7.0322     -0.00000
     63       7.5165     -0.00000
     64       8.0613     -0.00000
     65       8.3088     -0.00000
     66       8.9131     -0.00000
     67       9.3944     -0.00000
     68       9.6609     -0.00000
     69      10.4531     -0.00000
     70      11.9954      0.00000
     71      12.2966      0.00000
     72      12.3864      0.00000
     73      12.5461      0.00000
     74      12.7137      0.00000
     75      12.8429      0.00000
     76      13.3103      0.00000
     77      13.5936      0.00000
     78      13.9101      0.00000
     79      13.9943      0.00000
     80      14.4089      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0296      2.00000
      9      -0.3886      2.00000
     10      -0.1373      2.00000
     11       0.3174      2.00000
     12       0.3949      2.00000
     13       0.4913      2.00000
     14       0.5294      2.00000
     15       0.6689      2.00000
     16       0.7755      2.00000
     17       0.8097      2.00000
     18       0.9288      2.00000
     19       0.9369      2.00000
     20       1.0218      2.00000
     21       1.0692      2.00000
     22       1.1596      2.00000
     23       1.2137      2.00000
     24       1.3019      2.00000
     25       1.3473      2.00000
     26       1.4073      2.00000
     27       1.4723      2.00000
     28       1.5424      2.00000
     29       1.6073      2.00000
     30       1.7462      2.00000
     31       1.8192      2.00000
     32       1.8806      2.00000
     33       1.9181      2.00000
     34       1.9825      2.00000
     35       2.0333      2.00000
     36       2.0759      2.00000
     37       2.1309      2.00000
     38       2.2084      2.00000
     39       2.3046      2.00000
     40       2.4578      2.00000
     41       2.4955      2.00000
     42       2.5577      2.00000
     43       2.6147      2.00000
     44       2.6751      2.00000
     45       2.7897      2.00000
     46       2.8169      2.00000
     47       2.8687      2.00000
     48       2.9169      2.00000
     49       2.9663      2.00000
     50       3.0766      2.00000
     51       3.1639      2.00000
     52       3.2412      2.00000
     53       3.2770      2.00000
     54       3.4634      2.00000
     55       3.6004      2.00000
     56       3.9998      2.00000
     57       4.4675      2.00000
     58       5.2502      2.00000
     59       5.6717      2.03696
     60       5.8933      1.83412
     61       6.2836     -0.06638
     62       6.5172     -0.00206
     63       6.6919     -0.00002
     64       7.4344     -0.00000
     65       7.6803     -0.00000
     66       8.0963     -0.00000
     67       9.1276     -0.00000
     68       9.8154     -0.00000
     69       9.9427     -0.00000
     70      10.1131     -0.00000
     71      11.0912     -0.00000
     72      11.1778     -0.00000
     73      11.7553      0.00000
     74      12.0603      0.00000
     75      12.4096      0.00000
     76      12.7599      0.00000
     77      13.2790      0.00000
     78      13.6619      0.00000
     79      14.0560      0.00000
     80      14.4028      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3929      2.00000
      9      -0.0893      2.00000
     10       0.0662      2.00000
     11       0.1426      2.00000
     12       0.4116      2.00000
     13       0.5143      2.00000
     14       0.6021      2.00000
     15       0.7105      2.00000
     16       0.8479      2.00000
     17       0.9002      2.00000
     18       0.9105      2.00000
     19       1.0907      2.00000
     20       1.1468      2.00000
     21       1.1785      2.00000
     22       1.2419      2.00000
     23       1.3101      2.00000
     24       1.3943      2.00000
     25       1.4558      2.00000
     26       1.4874      2.00000
     27       1.5914      2.00000
     28       1.6630      2.00000
     29       1.7063      2.00000
     30       1.7261      2.00000
     31       1.8309      2.00000
     32       1.8733      2.00000
     33       1.9541      2.00000
     34       1.9757      2.00000
     35       2.0667      2.00000
     36       2.1157      2.00000
     37       2.2279      2.00000
     38       2.2959      2.00000
     39       2.3421      2.00000
     40       2.3826      2.00000
     41       2.4501      2.00000
     42       2.5062      2.00000
     43       2.5202      2.00000
     44       2.6196      2.00000
     45       2.6854      2.00000
     46       2.7238      2.00000
     47       2.7871      2.00000
     48       2.8387      2.00000
     49       2.8659      2.00000
     50       3.0631      2.00000
     51       3.1339      2.00000
     52       3.2634      2.00000
     53       3.3197      2.00000
     54       3.4739      2.00000
     55       3.5807      2.00000
     56       3.7261      2.00000
     57       4.4062      2.00000
     58       4.7673      2.00000
     59       5.1204      2.00000
     60       5.6544      2.02980
     61       5.9369      1.58848
     62       6.2058     -0.04324
     63       6.5105     -0.00239
     64       6.7250     -0.00001
     65       7.7374     -0.00000
     66       8.0448     -0.00000
     67       8.5084     -0.00000
     68       9.2984     -0.00000
     69       9.7358     -0.00000
     70      10.1709     -0.00000
     71      10.8502     -0.00000
     72      10.9617     -0.00000
     73      11.3632     -0.00000
     74      11.5814      0.00000
     75      12.1189      0.00000
     76      12.4495      0.00000
     77      13.1092      0.00000
     78      13.4104      0.00000
     79      14.0093      0.00000
     80      14.2719      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4437      2.00000
      9      -0.1576      2.00000
     10      -0.0420      2.00000
     11       0.1337      2.00000
     12       0.5448      2.00000
     13       0.6624      2.00000
     14       0.6967      2.00000
     15       0.7255      2.00000
     16       0.7935      2.00000
     17       0.8806      2.00000
     18       0.9501      2.00000
     19       1.0789      2.00000
     20       1.1008      2.00000
     21       1.1329      2.00000
     22       1.2579      2.00000
     23       1.3314      2.00000
     24       1.3629      2.00000
     25       1.3860      2.00000
     26       1.5372      2.00000
     27       1.5786      2.00000
     28       1.6632      2.00000
     29       1.7102      2.00000
     30       1.7583      2.00000
     31       1.8102      2.00000
     32       1.8518      2.00000
     33       1.9561      2.00000
     34       1.9953      2.00000
     35       2.0871      2.00000
     36       2.1551      2.00000
     37       2.2344      2.00000
     38       2.3205      2.00000
     39       2.3333      2.00000
     40       2.4430      2.00000
     41       2.4625      2.00000
     42       2.4897      2.00000
     43       2.5146      2.00000
     44       2.5590      2.00000
     45       2.5742      2.00000
     46       2.7168      2.00000
     47       2.7510      2.00000
     48       2.8071      2.00000
     49       2.8754      2.00000
     50       3.1196      2.00000
     51       3.1550      2.00000
     52       3.2816      2.00000
     53       3.5034      2.00000
     54       3.5651      2.00000
     55       3.6392      2.00000
     56       4.0624      2.00000
     57       4.4027      2.00000
     58       4.5085      2.00000
     59       4.9994      2.00000
     60       5.1415      2.00000
     61       5.8073      2.05475
     62       6.1355      0.14449
     63       6.5020     -0.00288
     64       7.1470     -0.00000
     65       7.2501     -0.00000
     66       7.7595     -0.00000
     67       8.3197     -0.00000
     68       9.5417     -0.00000
     69       9.9729     -0.00000
     70      10.5693     -0.00000
     71      10.9925     -0.00000
     72      11.2458     -0.00000
     73      11.7847      0.00000
     74      12.0243      0.00000
     75      12.2507      0.00000
     76      12.8665      0.00000
     77      13.1333      0.00000
     78      13.3055      0.00000
     79      14.1274      0.00000
     80      14.3187      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.2104      2.00000
      9      -0.3476      2.00000
     10      -0.0804      2.00000
     11       0.1034      2.00000
     12       0.5453      2.00000
     13       0.5697      2.00000
     14       0.6349      2.00000
     15       0.7100      2.00000
     16       0.8412      2.00000
     17       0.8729      2.00000
     18       0.9413      2.00000
     19       1.0025      2.00000
     20       1.0794      2.00000
     21       1.1074      2.00000
     22       1.1690      2.00000
     23       1.2400      2.00000
     24       1.2578      2.00000
     25       1.3160      2.00000
     26       1.3807      2.00000
     27       1.3887      2.00000
     28       1.5452      2.00000
     29       1.6701      2.00000
     30       1.6954      2.00000
     31       1.8078      2.00000
     32       1.8791      2.00000
     33       1.9253      2.00000
     34       2.0002      2.00000
     35       2.0141      2.00000
     36       2.0505      2.00000
     37       2.1545      2.00000
     38       2.1984      2.00000
     39       2.3917      2.00000
     40       2.4333      2.00000
     41       2.4869      2.00000
     42       2.5341      2.00000
     43       2.6092      2.00000
     44       2.6536      2.00000
     45       2.7627      2.00000
     46       2.8486      2.00000
     47       2.8781      2.00000
     48       2.9154      2.00000
     49       3.0153      2.00000
     50       3.0480      2.00000
     51       3.0969      2.00000
     52       3.1839      2.00000
     53       3.2772      2.00000
     54       3.5199      2.00000
     55       3.6449      2.00000
     56       3.9955      2.00000
     57       4.3287      2.00000
     58       5.3163      2.00001
     59       5.4678      2.00082
     60       5.6606      2.03226
     61       5.8338      2.01965
     62       6.6261     -0.00013
     63       6.9479     -0.00000
     64       7.4457     -0.00000
     65       7.8244     -0.00000
     66       7.8906     -0.00000
     67       8.4469     -0.00000
     68       9.6971     -0.00000
     69       9.9780     -0.00000
     70      10.4097     -0.00000
     71      11.7403      0.00000
     72      12.2356      0.00000
     73      12.5482      0.00000
     74      12.8753      0.00000
     75      13.0783      0.00000
     76      13.3807      0.00000
     77      13.4447      0.00000
     78      13.5306      0.00000
     79      13.8749      0.00000
     80      14.0935      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7957      2.00000
      4     -39.6613      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6043      2.00000
      8      -1.7458      2.00000
      9      -0.6732      2.00000
     10       0.0091      2.00000
     11       0.2295      2.00000
     12       0.3155      2.00000
     13       0.3398      2.00000
     14       0.3998      2.00000
     15       0.6237      2.00000
     16       0.6374      2.00000
     17       0.7153      2.00000
     18       0.8077      2.00000
     19       0.8731      2.00000
     20       0.9530      2.00000
     21       1.0153      2.00000
     22       1.0817      2.00000
     23       1.1487      2.00000
     24       1.2251      2.00000
     25       1.2561      2.00000
     26       1.3296      2.00000
     27       1.3958      2.00000
     28       1.4349      2.00000
     29       1.6002      2.00000
     30       1.6751      2.00000
     31       1.7182      2.00000
     32       1.8177      2.00000
     33       1.8708      2.00000
     34       1.9512      2.00000
     35       2.1245      2.00000
     36       2.1884      2.00000
     37       2.2500      2.00000
     38       2.3035      2.00000
     39       2.3919      2.00000
     40       2.5080      2.00000
     41       2.5318      2.00000
     42       2.6043      2.00000
     43       2.7151      2.00000
     44       2.7533      2.00000
     45       2.7964      2.00000
     46       2.8771      2.00000
     47       2.9582      2.00000
     48       2.9902      2.00000
     49       3.1125      2.00000
     50       3.1519      2.00000
     51       3.2034      2.00000
     52       3.2811      2.00000
     53       3.4271      2.00000
     54       3.6231      2.00000
     55       3.7723      2.00000
     56       3.9440      2.00000
     57       4.1501      2.00000
     58       4.5017      2.00000
     59       5.2716      2.00000
     60       6.0487      0.69515
     61       6.5771     -0.00048
     62       6.9850     -0.00000
     63       7.7877     -0.00000
     64       8.0630     -0.00000
     65       8.3276     -0.00000
     66       8.7114     -0.00000
     67       9.6763     -0.00000
     68      10.4465     -0.00000
     69      10.9020     -0.00000
     70      11.0217     -0.00000
     71      11.2972     -0.00000
     72      12.4950      0.00000
     73      12.8727      0.00000
     74      13.0257      0.00000
     75      13.1533      0.00000
     76      13.4920      0.00000
     77      13.5817      0.00000
     78      13.9333      0.00000
     79      14.3436      0.00000
     80      14.4684      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6181      2.00000
      7     -39.6035      2.00000
      8      -1.8585      2.00000
      9      -0.9367      2.00000
     10       0.0359      2.00000
     11       0.1676      2.00000
     12       0.2018      2.00000
     13       0.2852      2.00000
     14       0.4194      2.00000
     15       0.5902      2.00000
     16       0.6077      2.00000
     17       0.6190      2.00000
     18       0.6862      2.00000
     19       0.7185      2.00000
     20       0.8378      2.00000
     21       0.9445      2.00000
     22       1.0838      2.00000
     23       1.0990      2.00000
     24       1.1963      2.00000
     25       1.2656      2.00000
     26       1.3481      2.00000
     27       1.3622      2.00000
     28       1.5445      2.00000
     29       1.6454      2.00000
     30       1.6873      2.00000
     31       1.7043      2.00000
     32       1.7947      2.00000
     33       1.8610      2.00000
     34       1.8914      2.00000
     35       2.1183      2.00000
     36       2.2113      2.00000
     37       2.2479      2.00000
     38       2.3797      2.00000
     39       2.4269      2.00000
     40       2.5195      2.00000
     41       2.5850      2.00000
     42       2.6149      2.00000
     43       2.6727      2.00000
     44       2.8401      2.00000
     45       2.8630      2.00000
     46       2.9783      2.00000
     47       3.0410      2.00000
     48       3.0481      2.00000
     49       3.1210      2.00000
     50       3.1820      2.00000
     51       3.2709      2.00000
     52       3.3072      2.00000
     53       3.5337      2.00000
     54       3.6415      2.00000
     55       3.9095      2.00000
     56       3.9337      2.00000
     57       4.2097      2.00000
     58       4.4019      2.00000
     59       4.9944      2.00000
     60       5.5918      2.01138
     61       6.2163     -0.05447
     62       7.7423     -0.00000
     63       8.1708     -0.00000
     64       8.6083     -0.00000
     65       8.6367     -0.00000
     66       9.7690     -0.00000
     67      10.3871     -0.00000
     68      10.5874     -0.00000
     69      10.8016     -0.00000
     70      11.2405     -0.00000
     71      11.7335      0.00000
     72      12.4591      0.00000
     73      12.7219      0.00000
     74      12.8188      0.00000
     75      13.1323      0.00000
     76      13.2365      0.00000
     77      13.6849      0.00000
     78      14.4155      0.00000
     79      14.4783      0.00000
     80      14.5451      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6613      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.6572      2.00000
      9      -0.6553      2.00000
     10      -0.2099      2.00000
     11       0.2423      2.00000
     12       0.2885      2.00000
     13       0.4310      2.00000
     14       0.4349      2.00000
     15       0.5870      2.00000
     16       0.6294      2.00000
     17       0.7216      2.00000
     18       0.7778      2.00000
     19       0.8703      2.00000
     20       0.9347      2.00000
     21       0.9800      2.00000
     22       1.0764      2.00000
     23       1.1396      2.00000
     24       1.1744      2.00000
     25       1.2488      2.00000
     26       1.3590      2.00000
     27       1.3718      2.00000
     28       1.4903      2.00000
     29       1.6170      2.00000
     30       1.6400      2.00000
     31       1.7394      2.00000
     32       1.8704      2.00000
     33       1.8912      2.00000
     34       1.9925      2.00000
     35       2.0744      2.00000
     36       2.1734      2.00000
     37       2.2322      2.00000
     38       2.3143      2.00000
     39       2.3962      2.00000
     40       2.4686      2.00000
     41       2.5602      2.00000
     42       2.6265      2.00000
     43       2.7160      2.00000
     44       2.7579      2.00000
     45       2.8149      2.00000
     46       2.8469      2.00000
     47       2.9252      2.00000
     48       3.0150      2.00000
     49       3.0740      2.00000
     50       3.1332      2.00000
     51       3.2213      2.00000
     52       3.2519      2.00000
     53       3.5393      2.00000
     54       3.6646      2.00000
     55       3.7350      2.00000
     56       3.8063      2.00000
     57       4.0919      2.00000
     58       4.9302      2.00000
     59       5.0726      2.00000
     60       5.8158      2.04609
     61       6.8009     -0.00000
     62       7.1752     -0.00000
     63       7.7687     -0.00000
     64       8.6778     -0.00000
     65       8.9356     -0.00000
     66       9.1218     -0.00000
     67       9.4476     -0.00000
     68       9.6148     -0.00000
     69       9.7817     -0.00000
     70      10.9277     -0.00000
     71      11.5541      0.00000
     72      12.1226      0.00000
     73      12.3185      0.00000
     74      12.4677      0.00000
     75      13.1503      0.00000
     76      13.2898      0.00000
     77      13.6872      0.00000
     78      14.0695      0.00000
     79      14.3900      0.00000
     80      14.5248      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0772      2.00000
      9      -0.2697      2.00000
     10      -0.2139      2.00000
     11       0.2588      2.00000
     12       0.4229      2.00000
     13       0.5207      2.00000
     14       0.5561      2.00000
     15       0.6762      2.00000
     16       0.7868      2.00000
     17       0.8321      2.00000
     18       0.9096      2.00000
     19       1.0000      2.00000
     20       1.0896      2.00000
     21       1.0982      2.00000
     22       1.1437      2.00000
     23       1.1956      2.00000
     24       1.2257      2.00000
     25       1.2732      2.00000
     26       1.3541      2.00000
     27       1.4909      2.00000
     28       1.5764      2.00000
     29       1.6316      2.00000
     30       1.6585      2.00000
     31       1.8153      2.00000
     32       1.8342      2.00000
     33       1.9921      2.00000
     34       2.0001      2.00000
     35       2.0611      2.00000
     36       2.1648      2.00000
     37       2.2001      2.00000
     38       2.2412      2.00000
     39       2.2927      2.00000
     40       2.3680      2.00000
     41       2.5024      2.00000
     42       2.6225      2.00000
     43       2.6502      2.00000
     44       2.7141      2.00000
     45       2.7544      2.00000
     46       2.7981      2.00000
     47       2.8332      2.00000
     48       2.9258      2.00000
     49       2.9472      2.00000
     50       3.0888      2.00000
     51       3.1133      2.00000
     52       3.2024      2.00000
     53       3.4057      2.00000
     54       3.4889      2.00000
     55       3.5789      2.00000
     56       3.6792      2.00000
     57       4.4170      2.00000
     58       4.7887      2.00000
     59       5.4246      2.00026
     60       5.9861      1.21719
     61       6.5971     -0.00028
     62       6.9352     -0.00000
     63       7.0235     -0.00000
     64       7.3246     -0.00000
     65       8.2520     -0.00000
     66       8.4953     -0.00000
     67       8.8192     -0.00000
     68       9.3309     -0.00000
     69       9.9646     -0.00000
     70      10.1712     -0.00000
     71      10.3169     -0.00000
     72      11.0673     -0.00000
     73      11.7652      0.00000
     74      12.1237      0.00000
     75      12.2992      0.00000
     76      12.9590      0.00000
     77      13.7602      0.00000
     78      13.8125      0.00000
     79      14.0736      0.00000
     80      14.2113      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3674      2.00000
      9      -0.1449      2.00000
     10       0.0766      2.00000
     11       0.1443      2.00000
     12       0.4540      2.00000
     13       0.5618      2.00000
     14       0.6332      2.00000
     15       0.6849      2.00000
     16       0.7321      2.00000
     17       0.8895      2.00000
     18       0.9443      2.00000
     19       1.0604      2.00000
     20       1.1435      2.00000
     21       1.1746      2.00000
     22       1.2135      2.00000
     23       1.3189      2.00000
     24       1.3752      2.00000
     25       1.4670      2.00000
     26       1.5310      2.00000
     27       1.5611      2.00000
     28       1.6308      2.00000
     29       1.7088      2.00000
     30       1.7776      2.00000
     31       1.8436      2.00000
     32       1.9028      2.00000
     33       1.9367      2.00000
     34       2.0839      2.00000
     35       2.1422      2.00000
     36       2.1494      2.00000
     37       2.2454      2.00000
     38       2.2570      2.00000
     39       2.3290      2.00000
     40       2.3692      2.00000
     41       2.4124      2.00000
     42       2.5067      2.00000
     43       2.5567      2.00000
     44       2.5901      2.00000
     45       2.6102      2.00000
     46       2.6825      2.00000
     47       2.7664      2.00000
     48       2.7878      2.00000
     49       2.8711      2.00000
     50       3.0655      2.00000
     51       3.1230      2.00000
     52       3.1801      2.00000
     53       3.3596      2.00000
     54       3.5261      2.00000
     55       3.6206      2.00000
     56       3.8785      2.00000
     57       4.3628      2.00000
     58       4.7177      2.00000
     59       5.0918      2.00000
     60       5.6279      2.02049
     61       5.6840      2.04247
     62       6.1878     -0.01515
     63       6.6406     -0.00008
     64       7.0006     -0.00000
     65       7.4961     -0.00000
     66       7.8640     -0.00000
     67       8.9840     -0.00000
     68       9.5906     -0.00000
     69       9.8809     -0.00000
     70      10.0771     -0.00000
     71      10.4622     -0.00000
     72      10.7222     -0.00000
     73      11.0804     -0.00000
     74      11.6045      0.00000
     75      12.2363      0.00000
     76      12.9491      0.00000
     77      13.1656      0.00000
     78      13.8889      0.00000
     79      13.9059      0.00000
     80      14.0454      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9259      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4522      2.00000
      9      -0.1502      2.00000
     10      -0.0152      2.00000
     11       0.1286      2.00000
     12       0.5327      2.00000
     13       0.5712      2.00000
     14       0.6425      2.00000
     15       0.7529      2.00000
     16       0.8594      2.00000
     17       0.9481      2.00000
     18       0.9963      2.00000
     19       1.0474      2.00000
     20       1.1034      2.00000
     21       1.1640      2.00000
     22       1.2205      2.00000
     23       1.3110      2.00000
     24       1.3892      2.00000
     25       1.4679      2.00000
     26       1.4990      2.00000
     27       1.5436      2.00000
     28       1.5947      2.00000
     29       1.7109      2.00000
     30       1.7510      2.00000
     31       1.7902      2.00000
     32       1.8921      2.00000
     33       1.9529      2.00000
     34       1.9659      2.00000
     35       2.0493      2.00000
     36       2.1747      2.00000
     37       2.1867      2.00000
     38       2.2832      2.00000
     39       2.3231      2.00000
     40       2.3511      2.00000
     41       2.4701      2.00000
     42       2.4904      2.00000
     43       2.5796      2.00000
     44       2.6102      2.00000
     45       2.6721      2.00000
     46       2.7633      2.00000
     47       2.7960      2.00000
     48       2.8082      2.00000
     49       2.8946      2.00000
     50       3.1164      2.00000
     51       3.1702      2.00000
     52       3.2255      2.00000
     53       3.5098      2.00000
     54       3.5649      2.00000
     55       3.6786      2.00000
     56       3.8725      2.00000
     57       4.4376      2.00000
     58       4.5766      2.00000
     59       4.9694      2.00000
     60       5.4169      2.00021
     61       5.7478      2.06842
     62       5.8166      2.04513
     63       6.7066     -0.00001
     64       6.9842     -0.00000
     65       7.2823     -0.00000
     66       7.5044     -0.00000
     67       9.0166     -0.00000
     68       9.3960     -0.00000
     69      10.1002     -0.00000
     70      10.5094     -0.00000
     71      10.8516     -0.00000
     72      11.2037     -0.00000
     73      11.3951     -0.00000
     74      11.6716      0.00000
     75      12.0095      0.00000
     76      12.6410      0.00000
     77      13.4490      0.00000
     78      13.5527      0.00000
     79      14.0852      0.00000
     80      14.1367      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.1393      2.00000
      9      -0.5399      2.00000
     10       0.1028      2.00000
     11       0.1251      2.00000
     12       0.5043      2.00000
     13       0.5818      2.00000
     14       0.6494      2.00000
     15       0.6855      2.00000
     16       0.7949      2.00000
     17       0.8172      2.00000
     18       0.8418      2.00000
     19       0.9333      2.00000
     20       1.0915      2.00000
     21       1.1322      2.00000
     22       1.1734      2.00000
     23       1.2011      2.00000
     24       1.3168      2.00000
     25       1.3594      2.00000
     26       1.3986      2.00000
     27       1.4398      2.00000
     28       1.5079      2.00000
     29       1.5657      2.00000
     30       1.6867      2.00000
     31       1.7311      2.00000
     32       1.8705      2.00000
     33       1.9129      2.00000
     34       1.9678      2.00000
     35       2.1139      2.00000
     36       2.1594      2.00000
     37       2.2358      2.00000
     38       2.2809      2.00000
     39       2.3456      2.00000
     40       2.4195      2.00000
     41       2.5095      2.00000
     42       2.5650      2.00000
     43       2.6544      2.00000
     44       2.6884      2.00000
     45       2.7595      2.00000
     46       2.8025      2.00000
     47       2.8462      2.00000
     48       2.9041      2.00000
     49       2.9559      2.00000
     50       3.0732      2.00000
     51       3.1153      2.00000
     52       3.2013      2.00000
     53       3.3425      2.00000
     54       3.5045      2.00000
     55       3.6948      2.00000
     56       4.1160      2.00000
     57       4.5979      2.00000
     58       4.9738      2.00000
     59       5.3551      2.00003
     60       5.6781      2.03978
     61       6.0202      0.93087
     62       6.2123     -0.05053
     63       6.6954     -0.00002
     64       7.1688     -0.00000
     65       7.6134     -0.00000
     66       8.7332     -0.00000
     67       8.8996     -0.00000
     68       9.3470     -0.00000
     69      10.3945     -0.00000
     70      10.5984     -0.00000
     71      11.0075     -0.00000
     72      11.6160      0.00000
     73      12.2117      0.00000
     74      12.4877      0.00000
     75      12.8098      0.00000
     76      13.3444      0.00000
     77      13.5803      0.00000
     78      14.0657      0.00000
     79      14.2262      0.00000
     80      14.4686      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6174      2.00000
      7     -39.6043      2.00000
      8      -1.6603      2.00000
      9      -0.8931      2.00000
     10       0.1385      2.00000
     11       0.2581      2.00000
     12       0.3083      2.00000
     13       0.3186      2.00000
     14       0.3953      2.00000
     15       0.6199      2.00000
     16       0.6409      2.00000
     17       0.6615      2.00000
     18       0.7480      2.00000
     19       0.8511      2.00000
     20       0.9318      2.00000
     21       1.0535      2.00000
     22       1.1204      2.00000
     23       1.1758      2.00000
     24       1.2146      2.00000
     25       1.2704      2.00000
     26       1.3745      2.00000
     27       1.3877      2.00000
     28       1.4705      2.00000
     29       1.5872      2.00000
     30       1.6856      2.00000
     31       1.7357      2.00000
     32       1.8400      2.00000
     33       1.8479      2.00000
     34       2.0273      2.00000
     35       2.1524      2.00000
     36       2.1859      2.00000
     37       2.2256      2.00000
     38       2.2575      2.00000
     39       2.3638      2.00000
     40       2.4376      2.00000
     41       2.5092      2.00000
     42       2.6179      2.00000
     43       2.6480      2.00000
     44       2.7739      2.00000
     45       2.8230      2.00000
     46       2.8706      2.00000
     47       2.9472      2.00000
     48       2.9798      2.00000
     49       3.1087      2.00000
     50       3.1814      2.00000
     51       3.2009      2.00000
     52       3.2881      2.00000
     53       3.4716      2.00000
     54       3.7089      2.00000
     55       3.9323      2.00000
     56       3.9568      2.00000
     57       4.1899      2.00000
     58       4.5941      2.00000
     59       5.0489      2.00000
     60       5.6437      2.02576
     61       6.7339     -0.00000
     62       7.3312     -0.00000
     63       7.6554     -0.00000
     64       8.2577     -0.00000
     65       8.4654     -0.00000
     66       8.5598     -0.00000
     67       9.0002     -0.00000
     68       9.2198     -0.00000
     69      11.3261     -0.00000
     70      12.1161      0.00000
     71      12.4071      0.00000
     72      12.6445      0.00000
     73      12.8259      0.00000
     74      13.0883      0.00000
     75      13.2747      0.00000
     76      13.5358      0.00000
     77      13.6999      0.00000
     78      13.7707      0.00000
     79      13.8769      0.00000
     80      14.0554      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6182      2.00000
      7     -39.6034      2.00000
      8      -1.6627      2.00000
      9      -0.7797      2.00000
     10      -0.6048      2.00000
     11       0.0740      2.00000
     12       0.2593      2.00000
     13       0.3745      2.00000
     14       0.3882      2.00000
     15       0.5469      2.00000
     16       0.6270      2.00000
     17       0.7365      2.00000
     18       0.7379      2.00000
     19       0.8324      2.00000
     20       0.8857      2.00000
     21       0.9195      2.00000
     22       1.0441      2.00000
     23       1.1001      2.00000
     24       1.1295      2.00000
     25       1.2309      2.00000
     26       1.3212      2.00000
     27       1.3510      2.00000
     28       1.4831      2.00000
     29       1.5998      2.00000
     30       1.6115      2.00000
     31       1.7765      2.00000
     32       1.8979      2.00000
     33       1.9001      2.00000
     34       2.0860      2.00000
     35       2.1407      2.00000
     36       2.2194      2.00000
     37       2.3439      2.00000
     38       2.4329      2.00000
     39       2.4588      2.00000
     40       2.4655      2.00000
     41       2.5353      2.00000
     42       2.6126      2.00000
     43       2.6735      2.00000
     44       2.6804      2.00000
     45       2.8097      2.00000
     46       2.8669      2.00000
     47       2.9486      2.00000
     48       2.9718      2.00000
     49       3.1458      2.00000
     50       3.2244      2.00000
     51       3.3113      2.00000
     52       3.3323      2.00000
     53       3.4347      2.00000
     54       3.5257      2.00000
     55       3.7090      2.00000
     56       3.7439      2.00000
     57       3.9805      2.00000
     58       4.1944      2.00000
     59       5.8075      2.05458
     60       7.2569     -0.00000
     61       7.4159     -0.00000
     62       7.4546     -0.00000
     63       7.7477     -0.00000
     64       8.2277     -0.00000
     65       8.7167     -0.00000
     66       9.2550     -0.00000
     67       9.8729     -0.00000
     68      10.4729     -0.00000
     69      10.6485     -0.00000
     70      11.2096     -0.00000
     71      11.2539     -0.00000
     72      11.4202     -0.00000
     73      12.3945      0.00000
     74      12.9760      0.00000
     75      13.1344      0.00000
     76      13.1743      0.00000
     77      13.4020      0.00000
     78      13.8756      0.00000
     79      13.8955      0.00000
     80      14.5826      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3948      2.00000
      9      -0.7727      2.00000
     10      -0.4126      2.00000
     11       0.1135      2.00000
     12       0.1891      2.00000
     13       0.4687      2.00000
     14       0.5352      2.00000
     15       0.6221      2.00000
     16       0.6401      2.00000
     17       0.7423      2.00000
     18       0.7563      2.00000
     19       0.9149      2.00000
     20       0.9541      2.00000
     21       0.9877      2.00000
     22       0.9938      2.00000
     23       1.0987      2.00000
     24       1.1635      2.00000
     25       1.1866      2.00000
     26       1.3287      2.00000
     27       1.3502      2.00000
     28       1.5545      2.00000
     29       1.6117      2.00000
     30       1.7250      2.00000
     31       1.7626      2.00000
     32       1.8236      2.00000
     33       1.9578      2.00000
     34       2.0139      2.00000
     35       2.0438      2.00000
     36       2.1435      2.00000
     37       2.2732      2.00000
     38       2.2745      2.00000
     39       2.3560      2.00000
     40       2.5098      2.00000
     41       2.5491      2.00000
     42       2.6392      2.00000
     43       2.7022      2.00000
     44       2.7362      2.00000
     45       2.7928      2.00000
     46       2.8880      2.00000
     47       2.9160      2.00000
     48       3.0064      2.00000
     49       3.1002      2.00000
     50       3.1514      2.00000
     51       3.2140      2.00000
     52       3.3426      2.00000
     53       3.3656      2.00000
     54       3.5584      2.00000
     55       3.7768      2.00000
     56       3.8357      2.00000
     57       3.9801      2.00000
     58       4.2236      2.00000
     59       6.2066     -0.04420
     60       6.4977     -0.00317
     61       7.3796     -0.00000
     62       7.7739     -0.00000
     63       7.8804     -0.00000
     64       8.3431     -0.00000
     65       8.5483     -0.00000
     66       8.8005     -0.00000
     67       8.8269     -0.00000
     68       9.6338     -0.00000
     69      10.2007     -0.00000
     70      10.6208     -0.00000
     71      10.7611     -0.00000
     72      11.1033     -0.00000
     73      11.9361      0.00000
     74      12.2877      0.00000
     75      12.6453      0.00000
     76      13.1567      0.00000
     77      13.6082      0.00000
     78      13.9243      0.00000
     79      14.2631      0.00000
     80      14.6520      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.9078      2.00000
      9      -0.3842      2.00000
     10      -0.0432      2.00000
     11       0.0588      2.00000
     12       0.4414      2.00000
     13       0.4941      2.00000
     14       0.5954      2.00000
     15       0.6918      2.00000
     16       0.7519      2.00000
     17       0.7558      2.00000
     18       0.8235      2.00000
     19       0.8850      2.00000
     20       0.9986      2.00000
     21       1.0346      2.00000
     22       1.1554      2.00000
     23       1.2334      2.00000
     24       1.2866      2.00000
     25       1.3739      2.00000
     26       1.4134      2.00000
     27       1.4892      2.00000
     28       1.6080      2.00000
     29       1.6529      2.00000
     30       1.7129      2.00000
     31       1.7831      2.00000
     32       1.8339      2.00000
     33       1.9202      2.00000
     34       1.9753      2.00000
     35       2.0263      2.00000
     36       2.0674      2.00000
     37       2.2127      2.00000
     38       2.2486      2.00000
     39       2.2840      2.00000
     40       2.3999      2.00000
     41       2.5482      2.00000
     42       2.6179      2.00000
     43       2.6295      2.00000
     44       2.7042      2.00000
     45       2.7336      2.00000
     46       2.8269      2.00000
     47       2.8630      2.00000
     48       2.8996      2.00000
     49       2.9295      2.00000
     50       3.0284      2.00000
     51       3.1283      2.00000
     52       3.2988      2.00000
     53       3.3350      2.00000
     54       3.4810      2.00000
     55       3.5644      2.00000
     56       3.7450      2.00000
     57       4.4091      2.00000
     58       5.2112      2.00000
     59       5.2830      2.00000
     60       5.9464      1.52312
     61       7.0472     -0.00000
     62       7.1793     -0.00000
     63       7.3323     -0.00000
     64       7.4362     -0.00000
     65       8.1561     -0.00000
     66       8.3987     -0.00000
     67       8.6114     -0.00000
     68       9.0491     -0.00000
     69       9.3184     -0.00000
     70       9.8179     -0.00000
     71      10.7550     -0.00000
     72      10.9627     -0.00000
     73      11.2616     -0.00000
     74      11.5916      0.00000
     75      12.5058      0.00000
     76      13.0805      0.00000
     77      13.4025      0.00000
     78      13.6578      0.00000
     79      13.8985      0.00000
     80      14.1092      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3913      2.00000
      9      -0.0774      2.00000
     10       0.1000      2.00000
     11       0.1559      2.00000
     12       0.4539      2.00000
     13       0.4911      2.00000
     14       0.5490      2.00000
     15       0.6706      2.00000
     16       0.7801      2.00000
     17       0.9080      2.00000
     18       0.9394      2.00000
     19       1.1091      2.00000
     20       1.1631      2.00000
     21       1.2126      2.00000
     22       1.2352      2.00000
     23       1.3257      2.00000
     24       1.4077      2.00000
     25       1.4372      2.00000
     26       1.4827      2.00000
     27       1.5574      2.00000
     28       1.6171      2.00000
     29       1.6574      2.00000
     30       1.7142      2.00000
     31       1.8239      2.00000
     32       1.9084      2.00000
     33       1.9575      2.00000
     34       2.0292      2.00000
     35       2.1019      2.00000
     36       2.1152      2.00000
     37       2.1957      2.00000
     38       2.2937      2.00000
     39       2.3074      2.00000
     40       2.3506      2.00000
     41       2.4628      2.00000
     42       2.5240      2.00000
     43       2.5488      2.00000
     44       2.6219      2.00000
     45       2.6925      2.00000
     46       2.7333      2.00000
     47       2.8080      2.00000
     48       2.8311      2.00000
     49       2.9446      2.00000
     50       3.0676      2.00000
     51       3.1762      2.00000
     52       3.2789      2.00000
     53       3.3359      2.00000
     54       3.4625      2.00000
     55       3.5818      2.00000
     56       3.7810      2.00000
     57       4.0818      2.00000
     58       4.2909      2.00000
     59       5.4623      2.00071
     60       5.8525      1.97873
     61       6.0167      0.96025
     62       6.3286     -0.04772
     63       6.7205     -0.00001
     64       7.1166     -0.00000
     65       7.5982     -0.00000
     66       8.0592     -0.00000
     67       8.3269     -0.00000
     68       8.9136     -0.00000
     69       9.4262     -0.00000
     70      10.2235     -0.00000
     71      10.4071     -0.00000
     72      10.5565     -0.00000
     73      11.3050     -0.00000
     74      11.8171      0.00000
     75      12.1532      0.00000
     76      12.9267      0.00000
     77      13.0022      0.00000
     78      13.6724      0.00000
     79      13.9892      0.00000
     80      14.6284      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4476      2.00000
      9      -0.1508      2.00000
     10       0.0464      2.00000
     11       0.1316      2.00000
     12       0.4940      2.00000
     13       0.5294      2.00000
     14       0.6294      2.00000
     15       0.7118      2.00000
     16       0.8943      2.00000
     17       0.9184      2.00000
     18       1.0320      2.00000
     19       1.0722      2.00000
     20       1.1334      2.00000
     21       1.1779      2.00000
     22       1.2515      2.00000
     23       1.2925      2.00000
     24       1.3882      2.00000
     25       1.4103      2.00000
     26       1.4544      2.00000
     27       1.5025      2.00000
     28       1.6548      2.00000
     29       1.6938      2.00000
     30       1.7382      2.00000
     31       1.7915      2.00000
     32       1.8689      2.00000
     33       1.9089      2.00000
     34       2.0017      2.00000
     35       2.0740      2.00000
     36       2.1806      2.00000
     37       2.2068      2.00000
     38       2.2777      2.00000
     39       2.3453      2.00000
     40       2.3652      2.00000
     41       2.4446      2.00000
     42       2.5000      2.00000
     43       2.5474      2.00000
     44       2.6492      2.00000
     45       2.6849      2.00000
     46       2.7365      2.00000
     47       2.8058      2.00000
     48       2.8775      2.00000
     49       2.9007      2.00000
     50       3.1043      2.00000
     51       3.1590      2.00000
     52       3.2458      2.00000
     53       3.4706      2.00000
     54       3.5572      2.00000
     55       3.5958      2.00000
     56       3.8908      2.00000
     57       4.3354      2.00000
     58       4.8518      2.00000
     59       4.9957      2.00000
     60       5.2014      2.00000
     61       5.6088      2.01518
     62       5.8038      2.05778
     63       6.7135     -0.00001
     64       7.1736     -0.00000
     65       7.6869     -0.00000
     66       7.8686     -0.00000
     67       8.6953     -0.00000
     68       9.4862     -0.00000
     69       9.9460     -0.00000
     70      10.1185     -0.00000
     71      10.4618     -0.00000
     72      10.5799     -0.00000
     73      11.1361     -0.00000
     74      11.8034      0.00000
     75      12.2237      0.00000
     76      12.7364      0.00000
     77      13.5774      0.00000
     78      14.0534      0.00000
     79      14.3113      0.00000
     80      14.4555      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6064      2.00000
      8      -1.0811      2.00000
      9      -0.3709      2.00000
     10      -0.1180      2.00000
     11       0.2696      2.00000
     12       0.4352      2.00000
     13       0.5083      2.00000
     14       0.5414      2.00000
     15       0.6788      2.00000
     16       0.7816      2.00000
     17       0.8388      2.00000
     18       0.9155      2.00000
     19       0.9471      2.00000
     20       1.0476      2.00000
     21       1.0801      2.00000
     22       1.1682      2.00000
     23       1.2164      2.00000
     24       1.2657      2.00000
     25       1.3185      2.00000
     26       1.4102      2.00000
     27       1.4505      2.00000
     28       1.5465      2.00000
     29       1.6058      2.00000
     30       1.7664      2.00000
     31       1.8152      2.00000
     32       1.8408      2.00000
     33       1.9619      2.00000
     34       1.9919      2.00000
     35       2.0478      2.00000
     36       2.1007      2.00000
     37       2.1292      2.00000
     38       2.2026      2.00000
     39       2.3247      2.00000
     40       2.4235      2.00000
     41       2.4646      2.00000
     42       2.5996      2.00000
     43       2.6443      2.00000
     44       2.6768      2.00000
     45       2.7824      2.00000
     46       2.8130      2.00000
     47       2.8663      2.00000
     48       2.9188      2.00000
     49       2.9709      2.00000
     50       3.0765      2.00000
     51       3.1234      2.00000
     52       3.2322      2.00000
     53       3.3140      2.00000
     54       3.4445      2.00000
     55       3.6186      2.00000
     56       4.0693      2.00000
     57       4.2706      2.00000
     58       5.1761      2.00000
     59       5.7402      2.06631
     60       5.9189      1.70125
     61       6.1076      0.28433
     62       6.5331     -0.00143
     63       6.7716     -0.00000
     64       7.2628     -0.00000
     65       7.6506     -0.00000
     66       8.3294     -0.00000
     67       9.3752     -0.00000
     68       9.5223     -0.00000
     69       9.9777     -0.00000
     70      10.1668     -0.00000
     71      11.3323     -0.00000
     72      11.4898      0.00000
     73      11.7594      0.00000
     74      11.9429      0.00000
     75      12.2713      0.00000
     76      12.7587      0.00000
     77      13.3458      0.00000
     78      13.6742      0.00000
     79      13.8218      0.00000
     80      14.1960      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5575      2.00000
      9      -0.5563      2.00000
     10      -0.4672      2.00000
     11       0.2069      2.00000
     12       0.2322      2.00000
     13       0.4695      2.00000
     14       0.5223      2.00000
     15       0.5913      2.00000
     16       0.6302      2.00000
     17       0.6687      2.00000
     18       0.7937      2.00000
     19       0.8987      2.00000
     20       0.9436      2.00000
     21       0.9849      2.00000
     22       1.0110      2.00000
     23       1.1170      2.00000
     24       1.1574      2.00000
     25       1.2166      2.00000
     26       1.3833      2.00000
     27       1.4289      2.00000
     28       1.4827      2.00000
     29       1.5923      2.00000
     30       1.6361      2.00000
     31       1.7227      2.00000
     32       1.8653      2.00000
     33       1.8819      2.00000
     34       2.0107      2.00000
     35       2.1021      2.00000
     36       2.1989      2.00000
     37       2.2623      2.00000
     38       2.3394      2.00000
     39       2.3654      2.00000
     40       2.4345      2.00000
     41       2.5802      2.00000
     42       2.6720      2.00000
     43       2.6988      2.00000
     44       2.7304      2.00000
     45       2.8354      2.00000
     46       2.8599      2.00000
     47       2.8873      2.00000
     48       3.0500      2.00000
     49       3.0848      2.00000
     50       3.1607      2.00000
     51       3.2222      2.00000
     52       3.2281      2.00000
     53       3.5257      2.00000
     54       3.6094      2.00000
     55       3.6456      2.00000
     56       3.8422      2.00000
     57       3.9708      2.00000
     58       4.4751      2.00000
     59       5.6694      2.03597
     60       6.3566     -0.03511
     61       6.6994     -0.00001
     62       7.4993     -0.00000
     63       7.9648     -0.00000
     64       8.6764     -0.00000
     65       8.8718     -0.00000
     66       9.2041     -0.00000
     67       9.3664     -0.00000
     68       9.4641     -0.00000
     69       9.7819     -0.00000
     70      10.5100     -0.00000
     71      11.1752     -0.00000
     72      11.5327      0.00000
     73      12.0519      0.00000
     74      12.2349      0.00000
     75      13.0095      0.00000
     76      13.2393      0.00000
     77      13.2824      0.00000
     78      13.8447      0.00000
     79      14.5805      0.00000
     80      14.6662      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6616      2.00000
      5     -39.6609      2.00000
      6     -39.6182      2.00000
      7     -39.6035      2.00000
      8      -1.6136      2.00000
      9      -0.8287      2.00000
     10      -0.5733      2.00000
     11       0.0720      2.00000
     12       0.1459      2.00000
     13       0.3599      2.00000
     14       0.3873      2.00000
     15       0.5466      2.00000
     16       0.6381      2.00000
     17       0.7613      2.00000
     18       0.7859      2.00000
     19       0.8690      2.00000
     20       0.8726      2.00000
     21       0.9166      2.00000
     22       1.0129      2.00000
     23       1.0273      2.00000
     24       1.0725      2.00000
     25       1.2505      2.00000
     26       1.3053      2.00000
     27       1.3742      2.00000
     28       1.4740      2.00000
     29       1.6213      2.00000
     30       1.6684      2.00000
     31       1.7555      2.00000
     32       1.8313      2.00000
     33       1.9518      2.00000
     34       2.0092      2.00000
     35       2.1659      2.00000
     36       2.1978      2.00000
     37       2.3245      2.00000
     38       2.4210      2.00000
     39       2.4588      2.00000
     40       2.4648      2.00000
     41       2.5088      2.00000
     42       2.6245      2.00000
     43       2.6324      2.00000
     44       2.6520      2.00000
     45       2.8234      2.00000
     46       2.8338      2.00000
     47       2.9443      2.00000
     48       2.9465      2.00000
     49       2.9762      2.00000
     50       3.1868      2.00000
     51       3.2467      2.00000
     52       3.4513      2.00000
     53       3.5442      2.00000
     54       3.6478      2.00000
     55       3.9578      2.00000
     56       4.0601      2.00000
     57       4.2064      2.00000
     58       4.5923      2.00000
     59       5.8599      1.95835
     60       6.1152      0.24266
     61       6.6418     -0.00008
     62       7.3563     -0.00000
     63       7.9969     -0.00000
     64       8.2453     -0.00000
     65       8.6458     -0.00000
     66       9.1028     -0.00000
     67       9.1594     -0.00000
     68      10.9011     -0.00000
     69      11.4316     -0.00000
     70      11.6224      0.00000
     71      11.9342      0.00000
     72      12.3341      0.00000
     73      12.6154      0.00000
     74      13.1579      0.00000
     75      13.1996      0.00000
     76      13.3513      0.00000
     77      13.3896      0.00000
     78      13.8201      0.00000
     79      13.8443      0.00000
     80      14.0780      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6615      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3578      2.00000
      9      -0.6650      2.00000
     10      -0.5446      2.00000
     11       0.0514      2.00000
     12       0.1854      2.00000
     13       0.4645      2.00000
     14       0.5540      2.00000
     15       0.6202      2.00000
     16       0.6330      2.00000
     17       0.7459      2.00000
     18       0.7889      2.00000
     19       0.9086      2.00000
     20       0.9212      2.00000
     21       0.9495      2.00000
     22       0.9802      2.00000
     23       1.0952      2.00000
     24       1.1216      2.00000
     25       1.1755      2.00000
     26       1.3674      2.00000
     27       1.4271      2.00000
     28       1.5949      2.00000
     29       1.6101      2.00000
     30       1.6752      2.00000
     31       1.7181      2.00000
     32       1.7699      2.00000
     33       1.9297      2.00000
     34       2.0151      2.00000
     35       2.0727      2.00000
     36       2.1856      2.00000
     37       2.2073      2.00000
     38       2.2760      2.00000
     39       2.4516      2.00000
     40       2.4751      2.00000
     41       2.5324      2.00000
     42       2.6346      2.00000
     43       2.6782      2.00000
     44       2.7234      2.00000
     45       2.7437      2.00000
     46       2.8402      2.00000
     47       2.8831      2.00000
     48       2.9813      2.00000
     49       3.0611      2.00000
     50       3.1357      2.00000
     51       3.1561      2.00000
     52       3.3116      2.00000
     53       3.4335      2.00000
     54       3.5157      2.00000
     55       3.7583      2.00000
     56       3.8898      2.00000
     57       5.0159      2.00000
     58       5.1232      2.00000
     59       5.6025      2.01368
     60       6.0310      0.83966
     61       6.8522     -0.00000
     62       7.3490     -0.00000
     63       7.5024     -0.00000
     64       7.6923     -0.00000
     65       8.1091     -0.00000
     66       8.2555     -0.00000
     67       9.9404     -0.00000
     68      10.3659     -0.00000
     69      10.5373     -0.00000
     70      10.9921     -0.00000
     71      11.1551     -0.00000
     72      11.6545      0.00000
     73      12.3195      0.00000
     74      12.4531      0.00000
     75      12.9696      0.00000
     76      13.1596      0.00000
     77      13.6471      0.00000
     78      13.7841      0.00000
     79      14.0790      0.00000
     80      14.3545      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.8997      2.00000
      9      -0.3665      2.00000
     10      -0.0536      2.00000
     11       0.0256      2.00000
     12       0.4685      2.00000
     13       0.4949      2.00000
     14       0.5794      2.00000
     15       0.6961      2.00000
     16       0.7320      2.00000
     17       0.7699      2.00000
     18       0.8267      2.00000
     19       0.8765      2.00000
     20       0.9958      2.00000
     21       1.0240      2.00000
     22       1.1338      2.00000
     23       1.2392      2.00000
     24       1.3345      2.00000
     25       1.3843      2.00000
     26       1.4579      2.00000
     27       1.5116      2.00000
     28       1.5522      2.00000
     29       1.5897      2.00000
     30       1.7471      2.00000
     31       1.7972      2.00000
     32       1.8678      2.00000
     33       1.9067      2.00000
     34       1.9620      2.00000
     35       2.0157      2.00000
     36       2.1231      2.00000
     37       2.1832      2.00000
     38       2.2243      2.00000
     39       2.2517      2.00000
     40       2.3222      2.00000
     41       2.5512      2.00000
     42       2.6049      2.00000
     43       2.6511      2.00000
     44       2.7185      2.00000
     45       2.7293      2.00000
     46       2.8423      2.00000
     47       2.8709      2.00000
     48       2.9091      2.00000
     49       2.9602      2.00000
     50       3.0413      2.00000
     51       3.1304      2.00000
     52       3.2697      2.00000
     53       3.3461      2.00000
     54       3.4086      2.00000
     55       3.4961      2.00000
     56       3.7091      2.00000
     57       4.6923      2.00000
     58       5.3779      2.00007
     59       5.6271      2.02026
     60       5.8312      2.02415
     61       6.6878     -0.00002
     62       6.9342     -0.00000
     63       7.0988     -0.00000
     64       7.2350     -0.00000
     65       8.4852     -0.00000
     66       8.5780     -0.00000
     67       8.6977     -0.00000
     68       8.8937     -0.00000
     69       9.2404     -0.00000
     70       9.6632     -0.00000
     71      10.8844     -0.00000
     72      11.0704     -0.00000
     73      11.2570     -0.00000
     74      11.7870      0.00000
     75      12.7415      0.00000
     76      12.9954      0.00000
     77      13.5104      0.00000
     78      13.7480      0.00000
     79      13.9821      0.00000
     80      14.3824      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3683      2.00000
      9      -0.1236      2.00000
     10       0.0977      2.00000
     11       0.1721      2.00000
     12       0.4616      2.00000
     13       0.5275      2.00000
     14       0.5870      2.00000
     15       0.6365      2.00000
     16       0.7430      2.00000
     17       0.9005      2.00000
     18       0.9469      2.00000
     19       1.0615      2.00000
     20       1.1492      2.00000
     21       1.1873      2.00000
     22       1.2412      2.00000
     23       1.3137      2.00000
     24       1.3910      2.00000
     25       1.4814      2.00000
     26       1.5073      2.00000
     27       1.5357      2.00000
     28       1.6203      2.00000
     29       1.7153      2.00000
     30       1.7355      2.00000
     31       1.8329      2.00000
     32       1.9022      2.00000
     33       1.9664      2.00000
     34       2.0376      2.00000
     35       2.1072      2.00000
     36       2.1702      2.00000
     37       2.2518      2.00000
     38       2.3018      2.00000
     39       2.3146      2.00000
     40       2.3760      2.00000
     41       2.4262      2.00000
     42       2.5141      2.00000
     43       2.5580      2.00000
     44       2.5773      2.00000
     45       2.6319      2.00000
     46       2.6988      2.00000
     47       2.7549      2.00000
     48       2.8008      2.00000
     49       2.9508      2.00000
     50       3.0411      2.00000
     51       3.1351      2.00000
     52       3.1760      2.00000
     53       3.3273      2.00000
     54       3.5282      2.00000
     55       3.5936      2.00000
     56       3.9504      2.00000
     57       4.1860      2.00000
     58       4.4087      2.00000
     59       5.2698      2.00000
     60       5.8264      2.03187
     61       5.9497      1.49972
     62       6.2518     -0.07070
     63       6.4609     -0.00672
     64       6.9881     -0.00000
     65       7.8580     -0.00000
     66       8.0257     -0.00000
     67       8.8164     -0.00000
     68       9.1366     -0.00000
     69       9.7163     -0.00000
     70       9.8464     -0.00000
     71      10.3620     -0.00000
     72      10.5691     -0.00000
     73      10.9505     -0.00000
     74      11.8413      0.00000
     75      12.4447      0.00000
     76      12.6097      0.00000
     77      13.3132      0.00000
     78      13.7084      0.00000
     79      14.3478      0.00000
     80      14.4382      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4401      2.00000
      9      -0.1400      2.00000
     10      -0.0193      2.00000
     11       0.1294      2.00000
     12       0.5439      2.00000
     13       0.5885      2.00000
     14       0.6439      2.00000
     15       0.7770      2.00000
     16       0.8012      2.00000
     17       0.9221      2.00000
     18       0.9638      2.00000
     19       1.0455      2.00000
     20       1.1067      2.00000
     21       1.1475      2.00000
     22       1.2376      2.00000
     23       1.3353      2.00000
     24       1.3831      2.00000
     25       1.4047      2.00000
     26       1.4859      2.00000
     27       1.5853      2.00000
     28       1.6653      2.00000
     29       1.7159      2.00000
     30       1.7653      2.00000
     31       1.8185      2.00000
     32       1.8837      2.00000
     33       1.8951      2.00000
     34       1.9997      2.00000
     35       2.1215      2.00000
     36       2.1763      2.00000
     37       2.2150      2.00000
     38       2.2402      2.00000
     39       2.3021      2.00000
     40       2.3902      2.00000
     41       2.4497      2.00000
     42       2.4868      2.00000
     43       2.5483      2.00000
     44       2.6162      2.00000
     45       2.6394      2.00000
     46       2.7229      2.00000
     47       2.7673      2.00000
     48       2.8190      2.00000
     49       2.8717      2.00000
     50       3.1291      2.00000
     51       3.1378      2.00000
     52       3.3394      2.00000
     53       3.4663      2.00000
     54       3.5698      2.00000
     55       3.6019      2.00000
     56       3.7699      2.00000
     57       4.3572      2.00000
     58       4.5559      2.00000
     59       5.1180      2.00000
     60       5.6130      2.01625
     61       5.7515      2.06925
     62       6.3993     -0.01954
     63       6.4907     -0.00367
     64       6.8262     -0.00000
     65       6.9898     -0.00000
     66       7.3708     -0.00000
     67       9.0959     -0.00000
     68       9.3387     -0.00000
     69      10.2346     -0.00000
     70      10.5457     -0.00000
     71      10.9066     -0.00000
     72      11.4052     -0.00000
     73      11.5558      0.00000
     74      11.8243      0.00000
     75      12.1678      0.00000
     76      12.6497      0.00000
     77      12.9208      0.00000
     78      13.0864      0.00000
     79      13.8917      0.00000
     80      14.2230      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6063      2.00000
      8      -1.1093      2.00000
      9      -0.3095      2.00000
     10      -0.1726      2.00000
     11       0.2323      2.00000
     12       0.4791      2.00000
     13       0.5452      2.00000
     14       0.5738      2.00000
     15       0.6533      2.00000
     16       0.7700      2.00000
     17       0.8546      2.00000
     18       0.9275      2.00000
     19       1.0154      2.00000
     20       1.0886      2.00000
     21       1.1194      2.00000
     22       1.1646      2.00000
     23       1.1890      2.00000
     24       1.2180      2.00000
     25       1.2511      2.00000
     26       1.3533      2.00000
     27       1.4810      2.00000
     28       1.5463      2.00000
     29       1.6346      2.00000
     30       1.6817      2.00000
     31       1.7872      2.00000
     32       1.8354      2.00000
     33       1.9644      2.00000
     34       2.0333      2.00000
     35       2.0970      2.00000
     36       2.1581      2.00000
     37       2.2157      2.00000
     38       2.2370      2.00000
     39       2.2995      2.00000
     40       2.3332      2.00000
     41       2.5215      2.00000
     42       2.6142      2.00000
     43       2.6398      2.00000
     44       2.7150      2.00000
     45       2.7295      2.00000
     46       2.7736      2.00000
     47       2.8141      2.00000
     48       2.9357      2.00000
     49       2.9918      2.00000
     50       3.0599      2.00000
     51       3.1330      2.00000
     52       3.1992      2.00000
     53       3.4198      2.00000
     54       3.4591      2.00000
     55       3.5605      2.00000
     56       3.7123      2.00000
     57       4.5245      2.00000
     58       4.7812      2.00000
     59       5.4020      2.00014
     60       5.9511      1.48991
     61       6.4728     -0.00531
     62       6.8044     -0.00000
     63       7.0837     -0.00000
     64       7.3822     -0.00000
     65       8.0423     -0.00000
     66       8.6605     -0.00000
     67       8.7511     -0.00000
     68       9.3320     -0.00000
     69       9.8238     -0.00000
     70       9.9120     -0.00000
     71      10.6535     -0.00000
     72      11.1620     -0.00000
     73      11.8694      0.00000
     74      12.1811      0.00000
     75      12.6451      0.00000
     76      13.2134      0.00000
     77      13.9465      0.00000
     78      14.0302      0.00000
     79      14.3556      0.00000
     80      14.4000      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5495      2.00000
      9      -0.6263      2.00000
     10      -0.3849      2.00000
     11       0.1867      2.00000
     12       0.2300      2.00000
     13       0.4331      2.00000
     14       0.5230      2.00000
     15       0.5830      2.00000
     16       0.6291      2.00000
     17       0.6881      2.00000
     18       0.8045      2.00000
     19       0.9123      2.00000
     20       0.9411      2.00000
     21       0.9803      2.00000
     22       1.0436      2.00000
     23       1.1289      2.00000
     24       1.1574      2.00000
     25       1.2469      2.00000
     26       1.2682      2.00000
     27       1.3810      2.00000
     28       1.5880      2.00000
     29       1.6388      2.00000
     30       1.7047      2.00000
     31       1.7547      2.00000
     32       1.8160      2.00000
     33       1.8627      2.00000
     34       1.9862      2.00000
     35       2.0285      2.00000
     36       2.1157      2.00000
     37       2.3031      2.00000
     38       2.3400      2.00000
     39       2.4403      2.00000
     40       2.5092      2.00000
     41       2.5205      2.00000
     42       2.6004      2.00000
     43       2.6688      2.00000
     44       2.6946      2.00000
     45       2.7883      2.00000
     46       2.8388      2.00000
     47       2.8973      2.00000
     48       3.0441      2.00000
     49       3.0877      2.00000
     50       3.2059      2.00000
     51       3.2240      2.00000
     52       3.2928      2.00000
     53       3.3962      2.00000
     54       3.5829      2.00000
     55       3.7890      2.00000
     56       3.8096      2.00000
     57       3.9696      2.00000
     58       4.7449      2.00000
     59       5.6507      2.02838
     60       6.5507     -0.00093
     61       6.8407     -0.00000
     62       7.4397     -0.00000
     63       7.8210     -0.00000
     64       7.8788     -0.00000
     65       8.4128     -0.00000
     66       9.0433     -0.00000
     67       9.2164     -0.00000
     68       9.9775     -0.00000
     69      10.4650     -0.00000
     70      10.7155     -0.00000
     71      11.1268     -0.00000
     72      11.4679     -0.00000
     73      12.1243      0.00000
     74      12.6499      0.00000
     75      12.9909      0.00000
     76      13.3464      0.00000
     77      13.4860      0.00000
     78      13.8935      0.00000
     79      14.3081      0.00000
     80      14.5265      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9304      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6609      2.00000
      6     -39.6182      2.00000
      7     -39.6034      2.00000
      8      -1.6077      2.00000
      9      -0.7842      2.00000
     10      -0.6584      2.00000
     11       0.0655      2.00000
     12       0.1891      2.00000
     13       0.3565      2.00000
     14       0.3846      2.00000
     15       0.5637      2.00000
     16       0.6116      2.00000
     17       0.7245      2.00000
     18       0.7831      2.00000
     19       0.8448      2.00000
     20       0.9071      2.00000
     21       0.9226      2.00000
     22       1.0629      2.00000
     23       1.1119      2.00000
     24       1.1492      2.00000
     25       1.2412      2.00000
     26       1.2561      2.00000
     27       1.2667      2.00000
     28       1.4658      2.00000
     29       1.5997      2.00000
     30       1.6157      2.00000
     31       1.7437      2.00000
     32       1.7852      2.00000
     33       1.9085      2.00000
     34       2.1207      2.00000
     35       2.1538      2.00000
     36       2.3407      2.00000
     37       2.3511      2.00000
     38       2.3875      2.00000
     39       2.4338      2.00000
     40       2.4643      2.00000
     41       2.5318      2.00000
     42       2.6284      2.00000
     43       2.6606      2.00000
     44       2.7234      2.00000
     45       2.7943      2.00000
     46       2.8418      2.00000
     47       2.8915      2.00000
     48       2.9376      2.00000
     49       3.0346      2.00000
     50       3.1712      2.00000
     51       3.2197      2.00000
     52       3.3905      2.00000
     53       3.5845      2.00000
     54       3.6360      2.00000
     55       3.9489      2.00000
     56       4.0525      2.00000
     57       4.2260      2.00000
     58       4.4548      2.00000
     59       5.6731      2.03760
     60       6.2324     -0.06544
     61       6.6851     -0.00002
     62       7.5065     -0.00000
     63       7.8801     -0.00000
     64       8.1310     -0.00000
     65       8.7995     -0.00000
     66       9.3701     -0.00000
     67       9.5844     -0.00000
     68      10.7282     -0.00000
     69      10.8859     -0.00000
     70      11.4654     -0.00000
     71      11.9686      0.00000
     72      12.0695      0.00000
     73      12.5014      0.00000
     74      12.8811      0.00000
     75      12.9990      0.00000
     76      13.2798      0.00000
     77      13.4295      0.00000
     78      13.8885      0.00000
     79      14.0480      0.00000
     80      14.3277      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3900      2.00000
      9      -0.7323      2.00000
     10      -0.4732      2.00000
     11       0.1172      2.00000
     12       0.1856      2.00000
     13       0.4771      2.00000
     14       0.5467      2.00000
     15       0.6275      2.00000
     16       0.6338      2.00000
     17       0.7463      2.00000
     18       0.7665      2.00000
     19       0.9266      2.00000
     20       0.9321      2.00000
     21       0.9502      2.00000
     22       0.9801      2.00000
     23       1.1165      2.00000
     24       1.1597      2.00000
     25       1.1799      2.00000
     26       1.3665      2.00000
     27       1.3773      2.00000
     28       1.5120      2.00000
     29       1.6134      2.00000
     30       1.6279      2.00000
     31       1.7903      2.00000
     32       1.8386      2.00000
     33       1.9577      2.00000
     34       1.9841      2.00000
     35       2.1598      2.00000
     36       2.1989      2.00000
     37       2.2170      2.00000
     38       2.2525      2.00000
     39       2.3017      2.00000
     40       2.5309      2.00000
     41       2.5707      2.00000
     42       2.6194      2.00000
     43       2.6913      2.00000
     44       2.7380      2.00000
     45       2.8093      2.00000
     46       2.8925      2.00000
     47       2.9525      2.00000
     48       2.9987      2.00000
     49       3.1074      2.00000
     50       3.1516      2.00000
     51       3.1910      2.00000
     52       3.3057      2.00000
     53       3.3959      2.00000
     54       3.5527      2.00000
     55       3.7385      2.00000
     56       3.8943      2.00000
     57       4.0273      2.00000
     58       4.2815      2.00000
     59       6.2329     -0.06571
     60       6.6551     -0.00005
     61       7.1086     -0.00000
     62       7.3046     -0.00000
     63       7.9964     -0.00000
     64       8.2212     -0.00000
     65       8.3782     -0.00000
     66       8.7832     -0.00000
     67       9.5527     -0.00000
     68       9.8153     -0.00000
     69      10.1262     -0.00000
     70      10.3337     -0.00000
     71      10.8553     -0.00000
     72      11.3273     -0.00000
     73      12.0408      0.00000
     74      12.1967      0.00000
     75      12.6228      0.00000
     76      13.1289      0.00000
     77      13.5433      0.00000
     78      13.7375      0.00000
     79      14.3073      0.00000
     80      14.6107      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.9142      2.00000
      9      -0.4539      2.00000
     10       0.0429      2.00000
     11       0.0930      2.00000
     12       0.3951      2.00000
     13       0.4956      2.00000
     14       0.6442      2.00000
     15       0.6702      2.00000
     16       0.7362      2.00000
     17       0.7760      2.00000
     18       0.8167      2.00000
     19       0.9026      2.00000
     20       1.0168      2.00000
     21       1.0429      2.00000
     22       1.1205      2.00000
     23       1.2284      2.00000
     24       1.2697      2.00000
     25       1.2932      2.00000
     26       1.3759      2.00000
     27       1.4604      2.00000
     28       1.6697      2.00000
     29       1.6947      2.00000
     30       1.7822      2.00000
     31       1.8191      2.00000
     32       1.8489      2.00000
     33       1.9058      2.00000
     34       1.9674      2.00000
     35       1.9947      2.00000
     36       2.0248      2.00000
     37       2.2323      2.00000
     38       2.2919      2.00000
     39       2.3447      2.00000
     40       2.4775      2.00000
     41       2.5146      2.00000
     42       2.5659      2.00000
     43       2.6834      2.00000
     44       2.7025      2.00000
     45       2.7373      2.00000
     46       2.7569      2.00000
     47       2.8502      2.00000
     48       2.8758      2.00000
     49       2.9090      2.00000
     50       3.0683      2.00000
     51       3.1604      2.00000
     52       3.3252      2.00000
     53       3.3402      2.00000
     54       3.5799      2.00000
     55       3.7454      2.00000
     56       3.8168      2.00000
     57       4.0173      2.00000
     58       4.6215      2.00000
     59       4.8154      2.00000
     60       6.5673     -0.00062
     61       7.0477     -0.00000
     62       7.5009     -0.00000
     63       7.6175     -0.00000
     64       7.8373     -0.00000
     65       8.0237     -0.00000
     66       8.6777     -0.00000
     67       8.9012     -0.00000
     68       9.1772     -0.00000
     69       9.5692     -0.00000
     70       9.5922     -0.00000
     71       9.7940     -0.00000
     72      10.0793     -0.00000
     73      11.4805      0.00000
     74      11.7899      0.00000
     75      11.8683      0.00000
     76      12.9842      0.00000
     77      13.3729      0.00000
     78      13.9702      0.00000
     79      14.2101      0.00000
     80      14.5683      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3644      2.00000
      9      -0.1231      2.00000
     10       0.1022      2.00000
     11       0.1517      2.00000
     12       0.4154      2.00000
     13       0.5335      2.00000
     14       0.6069      2.00000
     15       0.6903      2.00000
     16       0.7681      2.00000
     17       0.8916      2.00000
     18       0.9336      2.00000
     19       1.0629      2.00000
     20       1.1158      2.00000
     21       1.1791      2.00000
     22       1.2091      2.00000
     23       1.3389      2.00000
     24       1.3892      2.00000
     25       1.4429      2.00000
     26       1.5029      2.00000
     27       1.6529      2.00000
     28       1.6959      2.00000
     29       1.7158      2.00000
     30       1.7346      2.00000
     31       1.8307      2.00000
     32       1.8686      2.00000
     33       1.9300      2.00000
     34       2.0043      2.00000
     35       2.1183      2.00000
     36       2.1581      2.00000
     37       2.2482      2.00000
     38       2.2733      2.00000
     39       2.3425      2.00000
     40       2.3911      2.00000
     41       2.4314      2.00000
     42       2.5223      2.00000
     43       2.5654      2.00000
     44       2.5896      2.00000
     45       2.6365      2.00000
     46       2.6742      2.00000
     47       2.7232      2.00000
     48       2.7873      2.00000
     49       2.8704      2.00000
     50       3.0705      2.00000
     51       3.1202      2.00000
     52       3.1725      2.00000
     53       3.2185      2.00000
     54       3.4823      2.00000
     55       3.5919      2.00000
     56       3.9531      2.00000
     57       4.6183      2.00000
     58       4.6939      2.00000
     59       5.1135      2.00000
     60       5.6396      2.02433
     61       5.7691      2.07088
     62       6.0805      0.45596
     63       6.3768     -0.02707
     64       6.9228     -0.00000
     65       7.6518     -0.00000
     66       8.4477     -0.00000
     67       8.9928     -0.00000
     68       9.3497     -0.00000
     69       9.4642     -0.00000
     70       9.8079     -0.00000
     71      10.6587     -0.00000
     72      11.0128     -0.00000
     73      11.3647     -0.00000
     74      11.6957      0.00000
     75      12.0683      0.00000
     76      12.4048      0.00000
     77      12.7468      0.00000
     78      13.6092      0.00000
     79      13.9538      0.00000
     80      14.1519      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4287      2.00000
      9      -0.1884      2.00000
     10       0.0367      2.00000
     11       0.1366      2.00000
     12       0.5255      2.00000
     13       0.5847      2.00000
     14       0.6759      2.00000
     15       0.7359      2.00000
     16       0.7933      2.00000
     17       0.8739      2.00000
     18       0.9498      2.00000
     19       1.0880      2.00000
     20       1.1052      2.00000
     21       1.1956      2.00000
     22       1.2702      2.00000
     23       1.2914      2.00000
     24       1.3604      2.00000
     25       1.4090      2.00000
     26       1.4613      2.00000
     27       1.5470      2.00000
     28       1.6640      2.00000
     29       1.7383      2.00000
     30       1.7694      2.00000
     31       1.8266      2.00000
     32       1.8440      2.00000
     33       1.9554      2.00000
     34       2.0553      2.00000
     35       2.0886      2.00000
     36       2.1270      2.00000
     37       2.2372      2.00000
     38       2.2736      2.00000
     39       2.2826      2.00000
     40       2.4329      2.00000
     41       2.4702      2.00000
     42       2.4726      2.00000
     43       2.5491      2.00000
     44       2.6198      2.00000
     45       2.6448      2.00000
     46       2.6987      2.00000
     47       2.7854      2.00000
     48       2.7981      2.00000
     49       2.8753      2.00000
     50       3.0852      2.00000
     51       3.1610      2.00000
     52       3.2448      2.00000
     53       3.4768      2.00000
     54       3.5561      2.00000
     55       3.6474      2.00000
     56       4.0556      2.00000
     57       4.5053      2.00000
     58       4.5566      2.00000
     59       4.8198      2.00000
     60       5.1631      2.00000
     61       5.6501      2.02813
     62       6.1319      0.16065
     63       6.3949     -0.02088
     64       7.5571     -0.00000
     65       7.7285     -0.00000
     66       8.0216     -0.00000
     67       8.4092     -0.00000
     68       8.9474     -0.00000
     69       9.6219     -0.00000
     70      10.2504     -0.00000
     71      10.3910     -0.00000
     72      11.2597     -0.00000
     73      11.6822      0.00000
     74      12.2775      0.00000
     75      12.4593      0.00000
     76      12.6174      0.00000
     77      13.3522      0.00000
     78      13.6014      0.00000
     79      14.1629      0.00000
     80      14.3020      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.0488      2.00000
      9      -0.4653      2.00000
     10      -0.0820      2.00000
     11       0.3249      2.00000
     12       0.4401      2.00000
     13       0.5117      2.00000
     14       0.5642      2.00000
     15       0.6419      2.00000
     16       0.7450      2.00000
     17       0.8157      2.00000
     18       0.9174      2.00000
     19       0.9884      2.00000
     20       1.0188      2.00000
     21       1.0927      2.00000
     22       1.1818      2.00000
     23       1.2064      2.00000
     24       1.3124      2.00000
     25       1.3353      2.00000
     26       1.3565      2.00000
     27       1.4352      2.00000
     28       1.5011      2.00000
     29       1.5987      2.00000
     30       1.7632      2.00000
     31       1.8368      2.00000
     32       1.8577      2.00000
     33       1.9251      2.00000
     34       1.9819      2.00000
     35       2.0368      2.00000
     36       2.1165      2.00000
     37       2.1881      2.00000
     38       2.2535      2.00000
     39       2.3244      2.00000
     40       2.4445      2.00000
     41       2.4880      2.00000
     42       2.5039      2.00000
     43       2.6443      2.00000
     44       2.6768      2.00000
     45       2.7572      2.00000
     46       2.7961      2.00000
     47       2.8452      2.00000
     48       2.9227      2.00000
     49       3.0172      2.00000
     50       3.0768      2.00000
     51       3.1432      2.00000
     52       3.2159      2.00000
     53       3.3185      2.00000
     54       3.4802      2.00000
     55       3.6444      2.00000
     56       3.8440      2.00000
     57       4.7513      2.00000
     58       5.2042      2.00000
     59       5.3335      2.00002
     60       5.5924      2.01150
     61       6.3356     -0.04448
     62       6.5354     -0.00135
     63       7.2791     -0.00000
     64       7.3821     -0.00000
     65       7.6570     -0.00000
     66       8.0512     -0.00000
     67       8.8478     -0.00000
     68       9.6428     -0.00000
     69       9.9715     -0.00000
     70      10.4891     -0.00000
     71      10.6727     -0.00000
     72      11.0006     -0.00000
     73      11.2955     -0.00000
     74      12.4550      0.00000
     75      13.0131      0.00000
     76      13.2880      0.00000
     77      13.5839      0.00000
     78      14.1171      0.00000
     79      14.2165      0.00000
     80      14.8509      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.4876      2.00000
      9      -0.7367      2.00000
     10      -0.3608      2.00000
     11       0.1587      2.00000
     12       0.2172      2.00000
     13       0.4603      2.00000
     14       0.5299      2.00000
     15       0.6055      2.00000
     16       0.6298      2.00000
     17       0.6604      2.00000
     18       0.8201      2.00000
     19       0.8761      2.00000
     20       0.9334      2.00000
     21       0.9747      2.00000
     22       0.9925      2.00000
     23       1.1409      2.00000
     24       1.1786      2.00000
     25       1.2436      2.00000
     26       1.3189      2.00000
     27       1.4319      2.00000
     28       1.5434      2.00000
     29       1.5916      2.00000
     30       1.6115      2.00000
     31       1.6860      2.00000
     32       1.8909      2.00000
     33       1.9589      2.00000
     34       2.0134      2.00000
     35       2.0877      2.00000
     36       2.1889      2.00000
     37       2.2524      2.00000
     38       2.3274      2.00000
     39       2.3486      2.00000
     40       2.4488      2.00000
     41       2.4673      2.00000
     42       2.6268      2.00000
     43       2.6686      2.00000
     44       2.7479      2.00000
     45       2.7725      2.00000
     46       2.8235      2.00000
     47       2.9591      2.00000
     48       2.9810      2.00000
     49       3.1111      2.00000
     50       3.1459      2.00000
     51       3.1925      2.00000
     52       3.2996      2.00000
     53       3.3741      2.00000
     54       3.6061      2.00000
     55       3.7731      2.00000
     56       3.8254      2.00000
     57       4.6124      2.00000
     58       5.1241      2.00000
     59       5.6706      2.03647
     60       6.1302      0.16824
     61       6.4364     -0.01057
     62       6.9131     -0.00000
     63       7.2540     -0.00000
     64       7.9331     -0.00000
     65       8.8890     -0.00000
     66       8.9793     -0.00000
     67       9.2160     -0.00000
     68       9.9733     -0.00000
     69      10.0452     -0.00000
     70      11.6931      0.00000
     71      11.9015      0.00000
     72      12.1100      0.00000
     73      12.2281      0.00000
     74      12.4484      0.00000
     75      12.8832      0.00000
     76      13.2822      0.00000
     77      13.5562      0.00000
     78      13.8033      0.00000
     79      13.9460      0.00000
     80      14.4496      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.168  -0.000  -0.000  -0.003  -0.000  -5.379  -0.000  -0.000
 -0.000  -5.166  -0.003   0.001  -0.001  -0.000  -5.377  -0.003
 -0.000  -0.003  -5.170  -0.001  -0.006  -0.000  -0.003  -5.380
 -0.003   0.001  -0.001  -5.175   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.156  -0.000  -0.001  -0.006
 -5.379  -0.000  -0.000  -0.003  -0.000  -5.572  -0.000  -0.000
 -0.000  -5.377  -0.003   0.001  -0.001  -0.000  -5.570  -0.003
 -0.000  -0.003  -5.380  -0.001  -0.006  -0.000  -0.003  -5.573
 -0.003   0.001  -0.001  -5.385   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.366  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.019   0.010   0.029   0.011   0.006  -1.165  -0.014  -0.024  -0.041  -0.013   0.018  -0.005  -0.012   0.007   0.356  -0.000
  0.010   3.070  -0.270   0.020  -0.182  -0.014  -1.056   0.224  -0.011   0.145  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.029  -0.270   2.652   0.008  -0.312  -0.024   0.224  -0.695  -0.018   0.230   0.083  -0.036  -0.111  -0.021  -0.004   0.006
  0.011   0.020   0.008   2.940   0.016  -0.041  -0.011  -0.018  -1.103  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.312   0.016   3.075  -0.013   0.145   0.230  -0.007  -1.013  -0.140   0.067   0.046  -0.008   0.020   0.008
 -1.165  -0.014  -0.024  -0.041  -0.013   1.219   0.018   0.020   0.068   0.018  -0.016   0.005   0.011  -0.007  -0.288  -0.000
 -0.014  -1.056   0.224  -0.011   0.145   0.018   0.976  -0.181   0.003  -0.108   0.063  -0.015  -0.007  -0.136  -0.007   0.000
 -0.024   0.224  -0.695  -0.018   0.230   0.020  -0.181   0.676   0.025  -0.159  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.041  -0.011  -0.018  -1.103  -0.007   0.068   0.003   0.025   1.163   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.230  -0.007  -1.013   0.018  -0.108  -0.159   0.001   0.905   0.130  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.069   0.083  -0.020  -0.140  -0.016   0.063  -0.091   0.020   0.130   2.090  -0.310  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.310   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.001  -0.111   0.011   0.046   0.011  -0.007   0.084  -0.009  -0.049  -0.041   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.136   0.025  -0.003   0.009   0.002  -0.004   0.007   0.126   0.002  -0.000
  0.356   0.008  -0.004  -0.020   0.020  -0.288  -0.007   0.002   0.012  -0.015   0.001   0.002  -0.001   0.002   0.157   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.70
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.65: real time    3.67
    STRESS:  cpu time    6.59: real time    6.62
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction         EDDAV:  cpu time   18.93: real time   19.00
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.76
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.71: real time   20.79

 eigenvalue-minimisations  :  8720
 total energy-change (2. order) : 0.2460099E-05  (-0.3023066E-05)
 number of electron     120.0000057 magnetization 
 augmentation part       42.0527193 magnetization 

 Broyden mixing:
  rms(total) = 0.15292E-02    rms(broyden)= 0.15291E-02
  rms(prec ) = 0.15690E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4989
  2.0893  2.0893  0.9257  0.8912

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.43108623
  Ewald energy   TEWEN  =     -8364.88791387
  -1/2 Hartree   DENC   =     -1863.36635940
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45492274
  PAW double counting   =      9481.51103838    -9409.37595442
  entropy T*S    EENTRO =         0.00355570
  eigenvalues    EBANDS =      -337.85313364
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87318297 eV

  energy without entropy =      -49.87673868  energy(sigma->0) =      -49.87436821
  0.243600241  0.100333861  0.080541248
    -3.910374789  8.756658266  0.918521971     0.002759563  0.115157954  0.002604266
    -2.322316707 -0.106185640  7.156220420    -0.005179362 -0.016768247  0.137808966

  length of vectors
     4.103711371  9.633990741  7.524355187     0.275490206  0.115220449  0.138921960


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.369E+01 -.157E+03 0.258E+02   0.386E+01 0.160E+03 -.261E+02   -.165E+00 -.282E+01 0.294E+00   0.646E-04 -.124E-03 -.324E-03
   0.370E+01 0.157E+03 -.258E+02   -.386E+01 -.160E+03 0.261E+02   0.165E+00 0.282E+01 -.295E+00   -.469E-04 0.121E-03 0.317E-03
   0.307E+01 0.145E+03 0.753E+01   -.317E+01 -.146E+03 -.735E+01   0.966E-01 0.128E+01 -.177E+00   -.237E-04 0.619E-03 0.181E-03
   -.722E-01 -.681E+02 -.413E+02   0.793E-01 0.677E+02 0.421E+02   -.753E-02 0.337E+00 -.852E+00   -.948E-04 -.138E-02 0.497E-03
   0.624E+01 0.970E+02 -.970E+02   -.631E+01 -.982E+02 0.984E+02   0.646E-01 0.126E+01 -.139E+01   0.399E-04 0.996E-03 -.118E-02
   -.206E-01 0.256E-02 -.148E-01   0.205E-01 -.272E-02 0.149E-01   0.437E-03 0.227E-04 -.832E-04   -.211E-05 0.282E-05 0.655E-05
   -.621E+01 -.970E+02 0.971E+02   0.627E+01 0.983E+02 -.985E+02   -.655E-01 -.126E+01 0.139E+01   -.388E-04 -.999E-03 0.120E-02
   -.306E+01 -.145E+03 -.754E+01   0.315E+01 0.146E+03 0.736E+01   -.973E-01 -.128E+01 0.178E+00   0.376E-04 -.614E-03 -.205E-03
   0.448E-01 0.681E+02 0.413E+02   -.524E-01 -.677E+02 -.421E+02   0.841E-02 -.336E+00 0.852E+00   0.116E-03 0.136E-02 -.496E-03
   0.551E-02 0.692E-02 -.290E-02   -.538E-02 -.697E-02 0.269E-02   -.830E-04 0.242E-04 0.159E-03   -.505E-06 -.435E-05 0.258E-06
   0.920E+00 0.960E+01 -.281E+02   -.925E+00 -.941E+01 0.280E+02   0.551E-02 -.190E+00 0.101E+00   -.324E-06 -.181E-03 -.200E-03
   -.932E+00 -.960E+01 0.281E+02   0.937E+00 0.941E+01 -.280E+02   -.528E-02 0.190E+00 -.101E+00   -.354E-06 0.185E-03 0.203E-03
   0.761E+00 -.910E+01 -.206E+02   -.717E+00 0.914E+01 0.203E+02   -.437E-01 -.414E-01 0.272E+00   -.103E-04 -.138E-03 0.148E-03
   -.169E+01 -.620E+02 0.424E+01   0.168E+01 0.619E+02 -.449E+01   0.496E-02 0.703E-01 0.252E+00   -.456E-04 -.223E-03 -.169E-04
   -.759E+00 0.912E+01 0.206E+02   0.716E+00 -.916E+01 -.203E+02   0.436E-01 0.413E-01 -.272E+00   0.103E-04 0.137E-03 -.146E-03
   0.168E+01 0.620E+02 -.423E+01   -.167E+01 -.619E+02 0.449E+01   -.478E-02 -.702E-01 -.252E+00   0.475E-04 0.225E-03 0.149E-04
 -----------------------------------------------------------------------------------------------
   -.130E-03 -.348E-04 -.195E-04   0.733E-14 0.995E-13 -.178E-14   0.998E-04 0.932E-03 0.330E-04   0.523E-04 -.929E-05 0.368E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07118      6.36279      7.89143         0.000484     -0.006519     -0.003786
     -2.91098      8.15338      4.53470        -0.000534      0.006338      0.003719
     -1.04479      1.16125      4.62351         0.001392      0.001790      0.000609
     -2.90210      5.24199      2.40723        -0.000533      0.000999     -0.013585
      1.19252      1.83254      0.30953         0.000214      0.002842      0.003566
     -3.08595      2.93046      5.68295         0.000368     -0.000188      0.000115
     -0.94198      4.03305      4.04189        -0.000858     -0.002545     -0.004088
     -1.02700      4.59830      6.88396        -0.001703     -0.002068     -0.000255
      3.15247      0.62350      1.94403         0.000972     -0.000839      0.013814
     -5.04100      7.30887      6.14217         0.000046     -0.000086     -0.000047
     -0.84867      3.63718      1.26219         0.000088     -0.000632     -0.002413
      1.09895      2.22850      3.08918        -0.000055      0.000798      0.002344
     -0.85009      6.70420      3.45719         0.000044      0.001492     -0.002488
     -2.99643      5.53167      5.14628        -0.000923      0.001250     -0.004458
     -2.80985      7.91813      1.81270        -0.000075     -0.001353      0.002521
      0.92459      0.22779      6.36126         0.001072     -0.001278      0.004433
 -----------------------------------------------------------------------------------
    total drift:                                0.000022      0.000888      0.000017


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87761487 eV

  energy  without entropy=      -49.88253887  energy(sigma->0) =      -49.87925620
 
 d Force = 0.1128977E-03[ 0.554E-04, 0.170E-03]  d Energy = 0.1009385E-03 0.120E-04
 d Force =-0.3747602E+00[-0.380E+00,-0.370E+00]  d Ewald  =-0.2098502E+01 0.172E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.05


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.73
     LOOP+:  cpu time  129.82: real time  130.48


----------------------------------------- Iteration   11(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.59: real time   15.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.33: real time   17.41

 eigenvalue-minimisa     EDDAV:  cpu time   18.30: real time   18.35
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.07: real time   20.13

 eigenvalue-minimisations  :  8336
 total energy-change (2. order) : 0.1489934E-07  (-0.1941521E-06)
 number of electron     120.0000057 magnetization 
 augmentation part       42.0527518 magnetization 

 Broyden mixing:
  rms(total) = 0.52081E-03    rms(broyden)= 0.52076E-03
  rms(prec ) = 0.54012E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5322
  2.5312  2.2135  1.0450  1.0450  0.8264

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.43108623
  Ewald energy   TEWEN  =     -8364.88791387
  -1/2 Hartree   DENC   =     -1863.36921101
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45527059
  PAW double counting   =      9481.52059757    -9409.38882158
  entropy T*S    EENTRO =         0.00355427
  eigenvalues    EBANDS =      -337.84732046
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
     EDDAV:  cpu time   17.36: real time   17.44
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.09: real time   19.18

 eigenvalue-minimisations  :  7792
 total energy-change (2. order) : 0.4404196E-03  (-0.2473270E-03)
 number of electron     120.0000048 magnetization 
     EDDAV:  cpu time   14.60: real time   14.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   16.34: real time   16.40

 eigenvalue-minimisations  :  5984
 total energy-change (2. order) : 0.1118333E-06  (-0.1792934E-07)
 number of electron     120.0000057 magnetization 
 augmentation part       42.0528251 magnetization 

 Broyden mixing:
  rms(total) = 0.82498E-04    rms(broyden)= 0.82478E-04
  rms(prec ) = 0.94698E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4485
  2.4249  2.1482  1.4281  0.9493  0.9493  0.7911

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.43108623
  Ewald energy   TEWEN  =     -8364.88791387
  -1/2 Hartree   DENC   =     -1863.36343531
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45514945
  PAW double counting   =      9481.49156361    -9409.36160507
  entropy T*S    EENTRO =         0.00355392
  eigenvalues    EBANDS =      -337.85115712
  atomic energy  EATOM  =      9754.20957531
  ------------     EDDAV:  cpu time   19.59: real time   19.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.33: real time   21.44

 eigenvalue-minimisations  :  9152
 total energy-change (2. order) : 0.1005821E-05  (-0.9182768E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524772 magn     EDDAV:  cpu time   13.45: real time   13.49
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.48: real time   13.53

 eigenvalue-minimisations  :  5280
 total energy-change (2. order) :-0.5006041E-07  (-0.3168564E-08)
 number of electron     120.0000057 magnetization 
 augmentation part       42.0528251 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.43108623
  Ewald energy   TEWEN  =     -8364.88791387
  -1/2 Hartree   DENC   =     -1863.36380455
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45513079
  PAW double counting   =      9481.48337065    -9409.35351802
  entropy T*S    EENTRO =         0.00355427
  eigenvalues    EBANDS =      -337.85066372
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87318290 eV

  energy without entropy =      -49.87673717  energy(sigma->0) =      -49.87436766
----------- Iteration   11(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.84: real time   17.94
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.68: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.55: real time   19.97

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.6626960E-06  (-0.1514529E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0525317 magnetization 

 Broyden mixing:
  rms(total) = 0.78879E-03    rms(broyden)= 0.78877E-03
  rms(prec ) = 0.83795E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4161
  2.3863  1.0058  0.8563

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.15029892
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46143302
  PAW double counting   =      9486.32477088    -9414.29142029
  entropy T*S    EENTRO =         0.00490144
  eigenvalues    EBANDS =      -338.65588298
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768004 eV

  energy without entropy =      -49.88258148  energy(sigma->0) =      -49.87931385
7      2.00000
     24       1.1931      2.00000
     25       1.2186      2.00000
     26       1.2964      2.00000
     27       1.3270      2.00000
     28       1.5870      2.00000
     29       1.6601      2.00000
     30       1.7183      2.00000
     31       1.7529      2.00000
     32       1.7978      2.00000
     33       1.9333      2.00000
     34       1.9431      2.00000
     35       2.1602      2.00000
     36       2.1714      2.00000
     37       2.2757      2.00000
     38       2.3008      2.00000
     39       2.4396      2.00000
     40       2.5360      2.00000
     41       2.5867      2.00000
     42       2.6318      2.00000
     43       2.7143      2.00000
     44       2.8782      2.00000
     45       2.9075      2.00000
     46       2.9097      2.00000
     47       2.9856      2.00000
     48       3.0343      2.00000
     49       3.1227      2.00000
     50       3.1542      2.00000
     51       3.3319      2.00000
     52       3.3667      2.00000
     53       3.4908      2.00000
     54       3.5867      2.00000
     55       3.8974      2.00000
     56       4.0582      2.00000
     57       4.2055      2.00000
     58       4.2719      2.00000
     59       4.9149      2.00000
     60       5.6427      2.02635
     61       6.2374     -0.06841
     62       8.2723     -0.00000
     63       8.3554     -0.00000
     64       8.4062     -0.00000
     65       9.0153     -0.00000
     66       9.6172     -0.00000
     67      10.3278     -0.00000
     68      10.7602     -0.00000
     69      11.4058     -0.00000
     70      11.7609      0.00000
     71      11.8163      0.00000
     72      12.1309      0.00000
     73      12.2334      0.00000
     74      12.4084      0.00000
     75      12.4297      0.00000
     76      12.7073      0.00000
     77      13.2697      0.00000
     78      13.6366      0.00000
     79      13.7729      0.00000
     80      14.6378      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6499      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5763      2.00000
      8      -1.6573      2.00000
      9      -0.5576      2.00000
     10      -0.2531      2.00000
     11       0.2618      2.00000
     12       0.2993      2.00000
     13       0.4005      2.00000
     14       0.4850      2.00000
     15       0.6049      2.00000
     16       0.6274      2.00000
     17       0.7534      2.00000
     18       0.8289      2.00000
     19       0.9307      2.00000
     20       0.9597      2.00000
     21       0.9777      2.00000
     22       1.1129      2.00000
     23       1.1266      2.00000
     24       1.2023      2.00000
     25       1.2481      2.00000
     26       1.3658      2.00000
     27       1.3979      2.00000
     28       1.5004      2.00000
     29       1.6351      2.00000
     30       1.6677      2.00000
     31       1.7645      2.00000
     32       1.8222      2.00000
     33       1.8560      2.00000
     34       2.0110      2.00000
     35       2.0348      2.00000
     36       2.1696      2.00000
     37       2.2657      2.00000
     38       2.3707      2.00000
     39       2.4634      2.00000
     40       2.4982      2.00000
     41       2.5586      2.00000
     42       2.6092      2.00000
     43       2.6906      2.00000
     44       2.7317      2.00000
     45       2.8037      2.00000
     46       2.8228      2.00000
     47       2.9172      2.00000
     48       3.0678      2.00000
     49       3.1274      2.00000
     50       3.1886      2.00000
     51       3.2354      2.00000
     52       3.2952      2.00000
     53       3.4200      2.00000
     54       3.6125      2.00000
     55       3.7093      2.00000
     56       3.8495      2.00000
     57       4.1132      2.00000
     58       4.5691      2.00000
     59       5.4628      2.00077
     60       6.2119     -0.05265
     61       6.7919     -0.00000
     62       7.1604     -0.00000
     63       7.7296     -0.00000
     64       8.3324     -0.00000
     65       8.5702     -0.00000
     66       8.7117     -0.00000
     67       9.6914     -0.00000
     68      10.2399     -0.00000
     69      10.5923     -0.00000
     70      10.6812     -0.00000
     71      11.1321     -0.00000
     72      11.7397      0.00000
     73      12.5161      0.00000
     74      12.8510      0.00000
     75      13.1640      0.00000
     76      13.3098      0.00000
     77      13.4858      0.00000
     78      13.8929      0.00000
     79      14.4546      0.00000
     80      14.6503      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -1.0173      2.00000
      9      -0.4074      2.00000
     10      -0.1054      2.00000
     11       0.3364      2.00000
     12       0.4333      2.00000
     13       0.5074      2.00000
     14       0.6000      2.00000
     15       0.6635      2.00000
     16       0.7370      2.00000
     17       0.8508      2.00000
     18       0.9201      2.00000
     19       0.9955      2.00000
     20       1.0496      2.00000
     21       1.0902      2.00000
     22       1.1887      2.00000
     23       1.2461      2.00000
     24       1.2885      2.00000
     25       1.3227      2.00000
     26       1.3746      2.00000
     27       1.4699      2.00000
     28       1.5646      2.00000
     29       1.6229      2.00000
     30       1.7363      2.00000
     31       1.8220      2.00000
     32       1.8615      2.00000
     33       1.9622      2.00000
     34       2.0076      2.00000
     35       2.1202      2.00000
     36       2.1230      2.00000
     37       2.1869      2.00000
     38       2.2554      2.00000
     39       2.3141      2.00000
     40       2.4165      2.00000
     41       2.4821      2.00000
     42       2.5358      2.00000
     43       2.6516      2.00000
     44       2.6782      2.00000
     45       2.7464      2.00000
     46       2.8096      2.00000
     47       2.8460      2.00000
     48       2.9239      2.00000
     49       3.0237      2.00000
     50       3.1019      2.00000
     51       3.1484      2.00000
     52       3.2562      2.00000
     53       3.3558      2.00000
     54       3.4584      2.00000
     55       3.5772      2.00000
     56       3.8322      2.00000
     57       4.6306      2.00000
     58       4.9847      2.00000
     59       5.4397      2.00042
     60       5.7879      2.06602
     61       6.4407     -0.00934
     62       6.8105     -0.00000
     63       6.9763     -0.00000
     64       7.4920     -0.00000
     65       8.0237     -0.00000
     66       8.3752     -0.00000
     67       8.7609     -0.00000
     68       9.4341     -0.00000
     69       9.8448     -0.00000
     70      10.3191     -0.00000
     71      10.5222     -0.00000
     72      10.7686     -0.00000
     73      11.4488     -0.00000
     74      12.2433      0.00000
     75      13.1235      0.00000
     76      13.5639      0.00000
     77      13.6872      0.00000
     78      13.8433      0.00000
     79      14.3486      0.00000
     80      14.7022      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5811      2.00000
      8      -0.3810      2.00000
      9      -0.0951      2.00000
     10       0.0944      2.00000
     11       0.1794      2.00000
     12       0.4912      2.00000
     13       0.5194      2.00000
     14       0.5731      2.00000
     15       0.6417      2.00000
     16       0.8490      2.00000
     17       0.9243      2.00000
     18       0.9462      2.00000
     19       1.1187      2.00000
     20       1.1694      2.00000
     21       1.2085      2.00000
     22       1.2628      2.00000
     23       1.3888      2.00000
     24       1.4106      2.00000
     25       1.4183      2.00000
     26       1.4855      2.00000
     27       1.5241      2.00000
     28       1.6581      2.00000
     29       1.6938      2.00000
     30       1.7430      2.00000
     31       1.8081      2.00000
     32       1.9177      2.00000
     33       1.9539      2.00000
     34       2.0701      2.00000
     35       2.1531      2.00000
     36       2.1720      2.00000
     37       2.1896      2.00000
     38       2.2766      2.00000
     39       2.3199      2.00000
     40       2.3628      2.00000
     41       2.4612      2.00000
     42       2.4787      2.00000
     43       2.5439      2.00000
     44       2.6351      2.00000
     45       2.6841      2.00000
     46       2.7549      2.00000
     47       2.8129      2.00000
     48       2.8586      2.00000
     49       2.9235      2.00000
     50       3.0660      2.00000
     51       3.1743      2.00000
     52       3.2668      2.00000
     53       3.3669      2.00000
     54       3.5601      2.00000
     55       3.6460      2.00000
     56       3.8176      2.00000
     57       4.1494      2.00000
     58       4.2724      2.00000
     59       5.1376      2.00000
     60       5.8859      1.85578
     61       6.0542      0.63141
     62       6.1308      0.15393
     63       6.8387     -0.00000
     64       7.0583     -0.00000
     65       7.7126     -0.00000
     66       8.1983     -0.00000
     67       8.4779     -0.00000
     68       8.8356     -0.00000
     69       9.4915     -0.00000
     70       9.8126     -0.00000
     71      10.5317     -0.00000
     72      10.9125     -0.00000
     73      11.2784     -0.00000
     74      11.7539      0.00000
     75      12.3278      0.00000
     76      12.6950      0.00000
     77      13.4815      0.00000
     78      13.7739      0.00000
     79      13.9836      0.00000
     80      14.6280      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4352      2.00000
      9      -0.1669      2.00000
     10       0.0454      2.00000
     11       0.1552      2.00000
     12       0.5143      2.00000
     13       0.5353      2.00000
     14       0.7080      2.00000
     15       0.7527      2.00000
     16       0.8823      2.00000
     17       0.9181      2.00000
     18       1.0022      2.00000
     19       1.0847      2.00000
     20       1.1002      2.00000
     21       1.2573      2.00000
     22       1.2773      2.00000
     23       1.3403      2.00000
     24       1.3983      2.00000
     25       1.4136      2.00000
     26       1.4636      2.00000
     27       1.4941      2.00000
     28       1.6716      2.00000
     29       1.7155      2.00000
     30       1.7636      2.00000
     31       1.8049      2.00000
     32       1.8899      2.00000
     33       1.9091      2.00000
     34       2.0368      2.00000
     35       2.0798      2.00000
     36       2.1479      2.00000
     37       2.1649      2.00000
     38       2.2316      2.00000
     39       2.3355      2.00000
     40       2.4500      2.00000
     41       2.4717      2.00000
     42       2.5415      2.00000
     43       2.5815      2.00000
     44       2.6268      2.00000
     45       2.6884      2.00000
     46       2.7344      2.00000
     47       2.8211      2.00000
     48       2.8558      2.00000
     49       2.9076      2.00000
     50       3.1091      2.00000
     51       3.1818      2.00000
     52       3.2096      2.00000
     53       3.5163      2.00000
     54       3.5524      2.00000
     55       3.7496      2.00000
     56       4.1941      2.00000
     57       4.3962      2.00000
     58       4.5797      2.00000
     59       4.7390      2.00000
     60       5.1535      2.00000
     61       5.5586      2.00646
     62       6.0837      0.41685
     63       6.1214      0.19780
     64       7.0570     -0.00000
     65       8.2841     -0.00000
     66       8.4709     -0.00000
     67       8.9471     -0.00000
     68       9.2137     -0.00000
     69       9.3526     -0.00000
     70       9.9237     -0.00000
     71      10.4287     -0.00000
     72      10.5753     -0.00000
     73      11.2966     -0.00000
     74      11.8372      0.00000
     75      12.5255      0.00000
     76      13.2609      0.00000
     77      13.5898      0.00000
     78      13.9164      0.00000
     79      14.1549      0.00000
     80      14.4012      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8963      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5870      2.00000
      7     -39.5783      2.00000
      8      -1.1511      2.00000
      9      -0.4638      2.00000
     10       0.0362      2.00000
     11       0.1660      2.00000
     12       0.5249      2.00000
     13       0.6080      2.00000
     14       0.6491      2.00000
     15       0.6952      2.00000
     16       0.8324      2.00000
     17       0.8444      2.00000
     18       0.8818      2.00000
     19       0.9780      2.00000
     20       1.1026      2.00000
     21       1.1469      2.00000
     22       1.1856      2.00000
     23       1.2200      2.00000
     24       1.3165      2.00000
     25       1.3624      2.00000
     26       1.4060      2.00000
     27       1.4605      2.00000
     28       1.4895      2.00000
     29       1.6364      2.00000
     30       1.7503      2.00000
     31       1.7675      2.00000
     32       1.8390      2.00000
     33       1.9100      2.00000
     34       1.9620      2.00000
     35       2.0575      2.00000
     36       2.1640      2.00000
     37       2.2131      2.00000
     38       2.3061      2.00000
     39       2.3547      2.00000
     40       2.4438      2.00000
     41       2.5180      2.00000
     42       2.5661      2.00000
     43       2.6060      2.00000
     44       2.6723      2.00000
     45       2.7733      2.00000
     46       2.7941      2.00000
     47       2.8720      2.00000
     48       2.8865      2.00000
     49       3.0444      2.00000
     50       3.0935      2.00000
     51       3.1369      2.00000
     52       3.2302      2.00000
     53       3.3320      2.00000
     54       3.5336      2.00000
     55       3.7081      2.00000
     56       4.1050      2.00000
     57       4.4296      2.00000
     58       4.8660      2.00000
     59       5.4587      2.00069
     60       5.6655      2.03539
     61       6.0629      0.56553
     62       6.3856     -0.02307
     63       6.9807     -0.00000
     64       7.2167     -0.00000
     65       7.5774     -0.00000
     66       8.1454     -0.00000
     67       9.1220     -0.00000
     68       9.3357     -0.00000
     69      10.2119     -0.00000
     70      10.9659     -0.00000
     71      11.3874     -0.00000
     72      11.7058      0.00000
     73      12.0947      0.00000
     74      12.3624      0.00000
     75      12.7269      0.00000
     76      13.3676      0.00000
     77      13.5988      0.00000
     78      13.9271      0.00000
     79      14.2520      0.00000
     80      14.4053      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6499      2.00000
      5     -39.6497      2.00000
      6     -39.5890      2.00000
      7     -39.5763      2.00000
      8      -1.7440      2.00000
      9      -0.6069      2.00000
     10       0.0591      2.00000
     11       0.1819      2.00000
     12       0.3323      2.00000
     13       0.3511      2.00000
     14       0.4286      2.00000
     15       0.6335      2.00000
     16       0.6564      2.00000
     17       0.7510      2.00000
     18       0.8327      2.00000
     19       0.9005      2.00000
     20       0.9235      2.00000
     21       1.0594      2.00000
     22       1.0859      2.00000
     23       1.1545      2.00000
     24       1.2269      2.00000
     25       1.2885      2.00000
     26       1.3073      2.00000
     27       1.3502      2.00000
     28       1.4791      2.00000
     29       1.6743      2.00000
     30       1.6912      2.00000
     31       1.7767      2.00000
     32       1.8459      2.00000
     33       1.8978      2.00000
     34       1.9197      2.00000
     35       2.0918      2.00000
     36       2.1611      2.00000
     37       2.2719      2.00000
     38       2.3174      2.00000
     39       2.3845      2.00000
     40       2.4911      2.00000
     41       2.5258      2.00000
     42       2.6057      2.00000
     43       2.7408      2.00000
     44       2.7969      2.00000
     45       2.8311      2.00000
     46       2.8754      2.00000
     47       2.9293      2.00000
     48       3.0335      2.00000
     49       3.1097      2.00000
     50       3.1430      2.00000
     51       3.2005      2.00000
     52       3.2577      2.00000
     53       3.4329      2.00000
     54       3.6759      2.00000
     55       3.8066      2.00000
     56       3.9350      2.00000
     57       4.1073      2.00000
     58       4.8221      2.00000
     59       5.0973      2.00000
     60       5.6031      2.01440
     61       6.6403     -0.00008
     62       7.1923     -0.00000
     63       7.7233     -0.00000
     64       8.2091     -0.00000
     65       8.8767     -0.00000
     66       9.0020     -0.00000
     67       9.3890     -0.00000
     68      10.2040     -0.00000
     69      10.7595     -0.00000
     70      10.7787     -0.00000
     71      11.3828     -0.00000
     72      12.4927      0.00000
     73      12.8462      0.00000
     74      13.1421      0.00000
     75      13.3175      0.00000
     76      13.4011      0.00000
     77      13.7828      0.00000
     78      13.8908      0.00000
     79      14.2405      0.00000
     80      14.3603      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9019      2.00000
      2     -39.8952      2.00000
      3     -39.8294      2.00000
      4     -39.6501      2.00000
      5     -39.6496      2.00000
      6     -39.5896      2.00000
      7     -39.5756      2.00000
      8      -1.8447      2.00000
      9      -0.8827      2.00000
     10      -0.0160      2.00000
     11       0.1612      2.00000
     12       0.2256      2.00000
     13       0.3173      2.00000
     14       0.4324      2.00000
     15       0.5980      2.00000
     16       0.6278      2.00000
     17       0.6433      2.00000
     18       0.7132      2.00000
     19       0.7925      2.00000
     20       0.8499      2.00000
     21       0.9487      2.00000
     22       1.0451      2.00000
     23       1.0835      2.00000
     24       1.2638      2.00000
     25       1.2985      2.00000
     26       1.4107      2.00000
     27       1.4417      2.00000
     28       1.6065      2.00000
     29       1.6198      2.00000
     30       1.6517      2.00000
     31       1.7115      2.00000
     32       1.8003      2.00000
     33       1.8815      2.00000
     34       1.9452      2.00000
     35       2.1497      2.00000
     36       2.2209      2.00000
     37       2.2300      2.00000
     38       2.2889      2.00000
     39       2.4317      2.00000
     40       2.5042      2.00000
     41       2.6455      2.00000
     42       2.6587      2.00000
     43       2.6849      2.00000
     44       2.7872      2.00000
     45       2.8417      2.00000
     46       2.8918      2.00000
     47       2.9281      2.00000
     48       3.0550      2.00000
     49       3.1091      2.00000
     50       3.1552      2.00000
     51       3.3208      2.00000
     52       3.3718      2.00000
     53       3.4461      2.00000
     54       3.6379      2.00000
     55       3.9667      2.00000
     56       4.2026      2.00000
     57       4.2384      2.00000
     58       4.3640      2.00000
     59       4.8227      2.00000
     60       6.3216     -0.04979
     61       6.4412     -0.00926
     62       7.0376     -0.00000
     63       7.3665     -0.00000
     64       8.7511     -0.00000
     65       9.5635     -0.00000
     66       9.6364     -0.00000
     67       9.8781     -0.00000
     68      11.0318     -0.00000
     69      11.1038     -0.00000
     70      11.1792     -0.00000
     71      11.5168      0.00000
     72      12.2658      0.00000
     73      12.6893      0.00000
     74      13.1204      0.00000
     75      13.4028      0.00000
     76      13.5906      0.00000
     77      13.8020      0.00000
     78      13.9947      0.00000
     79      14.2824      0.00000
     80      14.4999      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5763      2.00000
      8      -1.5648      2.00000
      9      -0.8044      2.00000
     10      -0.1252      2.00000
     11       0.2244      2.00000
     12       0.2723      2.00000
     13       0.4440      2.00000
     14       0.5153      2.00000
     15       0.5802      2.00000
     16       0.6362      2.00000
     17       0.7074      2.00000
     18       0.7932      2.00000
     19       0.9120      2.00000
     20       0.9745      2.00000
     21       0.9891      2.00000
     22       1.0702      2.00000
     23       1.1609      2.00000
     24       1.2195      2.00000
     25       1.3082      2.00000
     26       1.3904      2.00000
     27       1.4005      2.00000
     28       1.5336      2.00000
     29       1.5731      2.00000
     30       1.6272      2.00000
     31       1.6823      2.00000
     32       1.8924      2.00000
     33       1.9649      2.00000
     34       2.0249      2.00000
     35       2.1573      2.00000
     36       2.1984      2.00000
     37       2.2696      2.00000
     38       2.3099      2.00000
     39       2.3630      2.00000
     40       2.3884      2.00000
     41       2.4460      2.00000
     42       2.6534      2.00000
     43       2.6670      2.00000
     44       2.7692      2.00000
     45       2.7884      2.00000
     46       2.8432      2.00000
     47       2.9806      2.00000
     48       3.0241      2.00000
     49       3.1094      2.00000
     50       3.1674      2.00000
     51       3.2113      2.00000
     52       3.2962      2.00000
     53       3.4559      2.00000
     54       3.6461      2.00000
     55       3.6990      2.00000
     56       3.8829      2.00000
     57       4.4548      2.00000
     58       4.9377      2.00000
     59       5.4910      2.00152
     60       5.8755      1.89774
     61       6.6053     -0.00021
     62       7.0013     -0.00000
     63       7.5124     -0.00000
     64       8.0495     -0.00000
     65       8.4264     -0.00000
     66       8.9094     -0.00000
     67       9.3265     -0.00000
     68       9.5829     -0.00000
     69      10.4858     -0.00000
     70      11.9194      0.00000
     71      12.3171      0.00000
     72      12.4082      0.00000
     73      12.5892      0.00000
     74      12.7124      0.00000
     75      12.9497      0.00000
     76      13.3141      0.00000
     77      13.5857      0.00000
     78      13.9276      0.00000
     79      13.9654      0.00000
     80      14.4296      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -1.0159      2.00000
      9      -0.3702      2.00000
     10      -0.1179      2.00000
     11       0.3302      2.00000
     12       0.4009      2.00000
     13       0.5097      2.00000
     14       0.5433      2.00000
     15       0.6865      2.00000
     16       0.7942      2.00000
     17       0.8244      2.00000
     18       0.9327      2.00000
     19       0.9496      2.00000
     20       1.0273      2.00000
     21       1.0812      2.00000
     22       1.1742      2.00000
     23       1.2234      2.00000
     24       1.3225      2.00000
     25       1.3778      2.00000
     26       1.4242      2.00000
     27       1.4962      2.00000
     28       1.5627      2.00000
     29       1.6188      2.00000
     30       1.7615      2.00000
     31       1.8360      2.00000
     32       1.8897      2.00000
     33       1.9297      2.00000
     34       1.9864      2.00000
     35       2.0338      2.00000
     36       2.0866      2.00000
     37       2.1314      2.00000
     38       2.2088      2.00000
     39       2.3198      2.00000
     40       2.4634      2.00000
     41       2.4940      2.00000
     42       2.5621      2.00000
     43       2.6142      2.00000
     44       2.6970      2.00000
     45       2.7899      2.00000
     46       2.8194      2.00000
     47       2.8709      2.00000
     48       2.9376      2.00000
     49       2.9851      2.00000
     50       3.0870      2.00000
     51       3.1707      2.00000
     52       3.2500      2.00000
     53       3.2835      2.00000
     54       3.4669      2.00000
     55       3.6098      2.00000
     56       3.9817      2.00000
     57       4.4732      2.00000
     58       5.2662      2.00000
     59       5.6745      2.03930
     60       5.9343      1.58901
     61       6.2780     -0.06728
     62       6.5560     -0.00077
     63       6.7290     -0.00000
     64       7.4165     -0.00000
     65       7.6440     -0.00000
     66       8.0801     -0.00000
     67       9.1184     -0.00000
     68       9.7369     -0.00000
     69       9.9513     -0.00000
     70      10.2403     -0.00000
     71      11.0660     -0.00000
     72      11.1760     -0.00000
     73      11.8682      0.00000
     74      12.0609      0.00000
     75      12.3705      0.00000
     76      12.8720      0.00000
     77      13.3348      0.00000
     78      13.6642      0.00000
     79      14.1067      0.00000
     80      14.5106      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5811      2.00000
      8      -0.3825      2.00000
      9      -0.0704      2.00000
     10       0.0704      2.00000
     11       0.1624      2.00000
     12       0.4218      2.00000
     13       0.5262      2.00000
     14       0.6195      2.00000
     15       0.7277      2.00000
     16       0.8593      2.00000
     17       0.9137      2.00000
     18       0.9230      2.00000
     19       1.1051      2.00000
     20       1.1627      2.00000
     21       1.2054      2.00000
     22       1.2457      2.00000
     23       1.3254      2.00000
     24       1.4024      2.00000
     25       1.4733      2.00000
     26       1.4985      2.00000
     27       1.5977      2.00000
     28       1.6877      2.00000
     29       1.7183      2.00000
     30       1.7420      2.00000
     31       1.8452      2.00000
     32       1.8874      2.00000
     33       1.9726      2.00000
     34       1.9763      2.00000
     35       2.0704      2.00000
     36       2.1229      2.00000
     37       2.2288      2.00000
     38       2.3014      2.00000
     39       2.3516      2.00000
     40       2.3819      2.00000
     41       2.4579      2.00000
     42       2.5067      2.00000
     43       2.5271      2.00000
     44       2.6239      2.00000
     45       2.6971      2.00000
     46       2.7422      2.00000
     47       2.7969      2.00000
     48       2.8462      2.00000
     49       2.8720      2.00000
     50       3.0708      2.00000
     51       3.1454      2.00000
     52       3.2690      2.00000
     53       3.3347      2.00000
     54       3.4836      2.00000
     55       3.5908      2.00000
     56       3.7386      2.00000
     57       4.4083      2.00000
     58       4.7428      2.00000
     59       5.1144      2.00000
     60       5.6653      2.03532
     61       5.9025      1.77746
     62       6.2174     -0.05754
     63       6.5572     -0.00075
     64       6.7695     -0.00000
     65       7.7253     -0.00000
     66       8.0587     -0.00000
     67       8.5549     -0.00000
     68       9.2398     -0.00000
     69       9.6760     -0.00000
     70      10.2552     -0.00000
     71      10.7670     -0.00000
     72      10.9566     -0.00000
     73      11.4138     -0.00000
     74      11.7013      0.00000
     75      12.2436      0.00000
     76      12.5691      0.00000
     77      13.1269      0.00000
     78      13.3771      0.00000
     79      13.9362      0.00000
     80      14.3385      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4343      2.00000
      9      -0.1385      2.00000
     10      -0.0319      2.00000
     11       0.1519      2.00000
     12       0.5582      2.00000
     13       0.6762      2.00000
     14       0.7075      2.00000
     15       0.7370      2.00000
     16       0.8054      2.00000
     17       0.8868      2.00000
     18       0.9625      2.00000
     19       1.1025      2.00000
     20       1.1265      2.00000
     21       1.1519      2.00000
     22       1.2636      2.00000
     23       1.3471      2.00000
     24       1.3747      2.00000
     25       1.3975      2.00000
     26       1.5466      2.00000
     27       1.5940      2.00000
     28       1.6807      2.00000
     29       1.7210      2.00000
     30       1.7777      2.00000
     31       1.8156      2.00000
     32       1.8580      2.00000
     33       1.9622      2.00000
     34       1.9937      2.00000
     35       2.1001      2.00000
     36       2.1675      2.00000
     37       2.2384      2.00000
     38       2.3170      2.00000
     39       2.3413      2.00000
     40       2.4542      2.00000
     41       2.4714      2.00000
     42       2.4938      2.00000
     43       2.5330      2.00000
     44       2.5695      2.00000
     45       2.5887      2.00000
     46       2.7315      2.00000
     47       2.7678      2.00000
     48       2.8117      2.00000
     49       2.8804      2.00000
     50       3.1286      2.00000
     51       3.1661      2.00000
     52       3.2901      2.00000
     53       3.4998      2.00000
     54       3.5731      2.00000
     55       3.6501      2.00000
     56       4.0512      2.00000
     57       4.4080      2.00000
     58       4.4942      2.00000
     59       5.0340      2.00000
     60       5.1469      2.00000
     61       5.8291      2.02348
     62       6.1163      0.22326
     63       6.4849     -0.00394
     64       7.1919     -0.00000
     65       7.2927     -0.00000
     66       7.6993     -0.00000
     67       8.2625     -0.00000
     68       9.6051     -0.00000
     69       9.9935     -0.00000
     70      10.6116     -0.00000
     71      11.1216     -0.00000
     72      11.3473     -0.00000
     73      11.8038      0.00000
     74      12.0225      0.00000
     75      12.1986      0.00000
     76      12.8628      0.00000
     77      13.1926      0.00000
     78      13.3079      0.00000
     79      14.1572      0.00000
     80      14.2022      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8963      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5870      2.00000
      7     -39.5783      2.00000
      8      -1.1991      2.00000
      9      -0.3245      2.00000
     10      -0.0615      2.00000
     11       0.1148      2.00000
     12       0.5634      2.00000
     13       0.5895      2.00000
     14       0.6400      2.00000
     15       0.7210      2.00000
     16       0.8539      2.00000
     17       0.8897      2.00000
     18       0.9498      2.00000
     19       1.0235      2.00000
     20       1.0722      2.00000
     21       1.1290      2.00000
     22       1.1926      2.00000
     23       1.2520      2.00000
     24       1.2868      2.00000
     25       1.3418      2.00000
     26       1.3950      2.00000
     27       1.4058      2.00000
     28       1.5567      2.00000
     29       1.6775      2.00000
     30       1.7108      2.00000
     31       1.8214      2.00000
     32       1.8982      2.00000
     33       1.9295      2.00000
     34       1.9951      2.00000
     35       2.0153      2.00000
     36       2.0488      2.00000
     37       2.1573      2.00000
     38       2.2146      2.00000
     39       2.3970      2.00000
     40       2.4370      2.00000
     41       2.4968      2.00000
     42       2.5566      2.00000
     43       2.6076      2.00000
     44       2.6781      2.00000
     45       2.7603      2.00000
     46       2.8466      2.00000
     47       2.8824      2.00000
     48       2.9504      2.00000
     49       3.0279      2.00000
     50       3.0582      2.00000
     51       3.1055      2.00000
     52       3.1796      2.00000
     53       3.2802      2.00000
     54       3.5306      2.00000
     55       3.6546      2.00000
     56       3.9907      2.00000
     57       4.3233      2.00000
     58       5.3267      2.00002
     59       5.5034      2.00202
     60       5.6631      2.03437
     61       5.8188      2.03919
     62       6.6428     -0.00007
     63       6.9221     -0.00000
     64       7.4066     -0.00000
     65       7.8054     -0.00000
     66       7.8924     -0.00000
     67       8.4847     -0.00000
     68       9.8539     -0.00000
     69      10.0398     -0.00000
     70      10.4594     -0.00000
     71      11.6924      0.00000
     72      12.2569      0.00000
     73      12.5212      0.00000
     74      12.8934      0.00000
     75      13.1009      0.00000
     76      13.3787      0.00000
     77      13.4562      0.00000
     78      13.5960      0.00000
     79      13.8005      0.00000
     80      14.2063      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5763      2.00000
      8      -1.7292      2.00000
      9      -0.6508      2.00000
     10       0.0326      2.00000
     11       0.2378      2.00000
     12       0.3358      2.00000
     13       0.3406      2.00000
     14       0.4266      2.00000
     15       0.6378      2.00000
     16       0.6479      2.00000
     17       0.7374      2.00000
     18       0.8311      2.00000
     19       0.8888      2.00000
     20       0.9762      2.00000
     21       1.0296      2.00000
     22       1.0971      2.00000
     23       1.1564      2.00000
     24       1.2382      2.00000
     25       1.2615      2.00000
     26       1.3513      2.00000
     27       1.4199      2.00000
     28       1.4473      2.00000
     29       1.6133      2.00000
     30       1.6936      2.00000
     31       1.7312      2.00000
     32       1.8271      2.00000
     33       1.8812      2.00000
     34       1.9520      2.00000
     35       2.1240      2.00000
     36       2.2011      2.00000
     37       2.2574      2.00000
     38       2.2971      2.00000
     39       2.4017      2.00000
     40       2.5078      2.00000
     41       2.5470      2.00000
     42       2.6029      2.00000
     43       2.7239      2.00000
     44       2.7551      2.00000
     45       2.7935      2.00000
     46       2.8969      2.00000
     47       2.9717      2.00000
     48       3.0093      2.00000
     49       3.1067      2.00000
     50       3.1622      2.00000
     51       3.2167      2.00000
     52       3.2912      2.00000
     53       3.4344      2.00000
     54       3.6286      2.00000
     55       3.7866      2.00000
     56       3.9438      2.00000
     57       4.1590      2.00000
     58       4.5385      2.00000
     59       5.2047      2.00000
     60       6.0668      0.53616
     61       6.5871     -0.00034
     62       7.0122     -0.00000
     63       7.7747     -0.00000
     64       8.0548     -0.00000
     65       8.4927     -0.00000
     66       8.7346     -0.00000
     67       9.6724     -0.00000
     68      10.4792     -0.00000
     69      10.8765     -0.00000
     70      11.0443     -0.00000
     71      11.2608     -0.00000
     72      12.4979      0.00000
     73      12.8349      0.00000
     74      13.0174      0.00000
     75      13.1999      0.00000
     76      13.4719      0.00000
     77      13.5463      0.00000
     78      13.9392      0.00000
     79      14.3282      0.00000
     80      14.4960      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9019      2.00000
      2     -39.8952      2.00000
      3     -39.8293      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5896      2.00000
      7     -39.5756      2.00000
      8      -1.8403      2.00000
      9      -0.9098      2.00000
     10       0.0589      2.00000
     11       0.1721      2.00000
     12       0.2068      2.00000
     13       0.3109      2.00000
     14       0.4266      2.00000
     15       0.6116      2.00000
     16       0.6329      2.00000
     17       0.6404      2.00000
     18       0.7017      2.00000
     19       0.7438      2.00000
     20       0.8619      2.00000
     21       0.9632      2.00000
     22       1.0861      2.00000
     23       1.1061      2.00000
     24       1.2177      2.00000
     25       1.2715      2.00000
     26       1.3569      2.00000
     27       1.3841      2.00000
     28       1.5662      2.00000
     29       1.6587      2.00000
     30       1.7021      2.00000
     31       1.7183      2.00000
     32       1.8158      2.00000
     33       1.8611      2.00000
     34       1.8897      2.00000
     35       2.1265      2.00000
     36       2.2203      2.00000
     37       2.2502      2.00000
     38       2.3747      2.00000
     39       2.4327      2.00000
     40       2.5502      2.00000
     41       2.5713      2.00000
     42       2.6230      2.00000
     43       2.6709      2.00000
     44       2.8526      2.00000
     45       2.8767      2.00000
     46       2.9926      2.00000
     47       3.0492      2.00000
     48       3.0696      2.00000
     49       3.1418      2.00000
     50       3.1725      2.00000
     51       3.2373      2.00000
     52       3.3255      2.00000
     53       3.5232      2.00000
     54       3.6317      2.00000
     55       3.9239      2.00000
     56       3.9466      2.00000
     57       4.1912      2.00000
     58       4.3894      2.00000
     59       5.0463      2.00000
     60       5.7019      2.05187
     61       6.2722     -0.06875
     62       7.6600     -0.00000
     63       8.3530     -0.00000
     64       8.5770     -0.00000
     65       8.5985     -0.00000
     66       9.7151     -0.00000
     67      10.3061     -0.00000
     68      10.6052     -0.00000
     69      10.8029     -0.00000
     70      11.2657     -0.00000
     71      11.6688      0.00000
     72      12.4954      0.00000
     73      12.7398      0.00000
     74      12.8246      0.00000
     75      13.2053      0.00000
     76      13.3073      0.00000
     77      13.7261      0.00000
     78      14.3868      0.00000
     79      14.4682      0.00000
     80      14.4986      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6499      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5763      2.00000
      8      -1.6430      2.00000
      9      -0.6231      2.00000
     10      -0.1955      2.00000
     11       0.2557      2.00000
     12       0.2966      2.00000
     13       0.4480      2.00000
     14       0.4602      2.00000
     15       0.5929      2.00000
     16       0.6494      2.00000
     17       0.7475      2.00000
     18       0.7939      2.00000
     19       0.8965      2.00000
     20       0.9455      2.00000
     21       0.9888      2.00000
     22       1.0957      2.00000
     23       1.1536      2.00000
     24       1.1762      2.00000
     25       1.2593      2.00000
     26       1.3694      2.00000
     27       1.3923      2.00000
     28       1.5034      2.00000
     29       1.6348      2.00000
     30       1.6568      2.00000
     31       1.7480      2.00000
     32       1.8853      2.00000
     33       1.8951      2.00000
     34       1.9995      2.00000
     35       2.0722      2.00000
     36       2.1870      2.00000
     37       2.2420      2.00000
     38       2.3241      2.00000
     39       2.4069      2.00000
     40       2.4733      2.00000
     41       2.5720      2.00000
     42       2.6170      2.00000
     43       2.7175      2.00000
     44       2.7761      2.00000
     45       2.8251      2.00000
     46       2.8548      2.00000
     47       2.9246      2.00000
     48       3.0237      2.00000
     49       3.1040      2.00000
     50       3.1630      2.00000
     51       3.2054      2.00000
     52       3.2518      2.00000
     53       3.5437      2.00000
     54       3.6774      2.00000
     55       3.7440      2.00000
     56       3.7964      2.00000
     57       4.0606      2.00000
     58       4.9836      2.00000
     59       5.0818      2.00000
     60       5.8755      1.89777
     61       6.7939     -0.00000
     62       7.2158     -0.00000
     63       7.6974     -0.00000
     64       8.6577     -0.00000
     65       8.8811     -0.00000
     66       9.3042     -0.00000
     67       9.4573     -0.00000
     68       9.5741     -0.00000
     69       9.7949     -0.00000
     70      10.9880     -0.00000
     71      11.5465      0.00000
     72      12.1186      0.00000
     73      12.2992      0.00000
     74      12.4928      0.00000
     75      13.1361      0.00000
     76      13.3703      0.00000
     77      13.6081      0.00000
     78      14.0980      0.00000
     79      14.4036      0.00000
     80      14.5338      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -1.0650      2.00000
      9      -0.2605      2.00000
     10      -0.1887      2.00000
     11       0.2747      2.00000
     12       0.4410      2.00000
     13       0.5358      2.00000
     14       0.5725      2.00000
     15       0.6955      2.00000
     16       0.7923      2.00000
     17       0.8499      2.00000
     18       0.9165      2.00000
     19       1.0210      2.00000
     20       1.0992      2.00000
     21       1.1102      2.00000
     22       1.1387      2.00000
     23       1.2097      2.00000
     24       1.2528      2.00000
     25       1.3049      2.00000
     26       1.3662      2.00000
     27       1.5051      2.00000
     28       1.5935      2.00000
     29       1.6429      2.00000
     30       1.6662      2.00000
     31       1.8293      2.00000
     32       1.8490      2.00000
     33       1.9914      2.00000
     34       2.0069      2.00000
     35       2.0618      2.00000
     36       2.1866      2.00000
     37       2.2102      2.00000
     38       2.2495      2.00000
     39       2.2995      2.00000
     40       2.3633      2.00000
     41       2.5241      2.00000
     42       2.6289      2.00000
     43       2.6533      2.00000
     44       2.7275      2.00000
     45       2.7693      2.00000
     46       2.7943      2.00000
     47       2.8464      2.00000
     48       2.9196      2.00000
     49       2.9689      2.00000
     50       3.1021      2.00000
     51       3.1245      2.00000
     52       3.2138      2.00000
     53       3.4131      2.00000
     54       3.4964      2.00000
     55       3.5829      2.00000
     56       3.6872      2.00000
     57       4.3984      2.00000
     58       4.8153      2.00000
     59       5.4051      2.00017
     60       5.9682      1.34109
     61       6.5897     -0.00032
     62       6.9831     -0.00000
     63       7.0210     -0.00000
     64       7.3326     -0.00000
     65       8.2517     -0.00000
     66       8.5225     -0.00000
     67       8.7699     -0.00000
     68       9.3655     -0.00000
     69       9.9755     -0.00000
     70      10.2373     -0.00000
     71      10.3672     -0.00000
     72      11.1258     -0.00000
     73      11.7534      0.00000
     74      12.1469      0.00000
     75      12.2606      0.00000
     76      12.9913      0.00000
     77      13.6878      0.00000
     78      13.9007      0.00000
     79      14.1506      0.00000
     80      14.2774      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5811      2.00000
      8      -0.3552      2.00000
      9      -0.1302      2.00000
     10       0.0826      2.00000
     11       0.1639      2.00000
     12       0.4665      2.00000
     13       0.5753      2.00000
     14       0.6422      2.00000
     15       0.7031      2.00000
     16       0.7523      2.00000
     17       0.8938      2.00000
     18       0.9608      2.00000
     19       1.0794      2.00000
     20       1.1564      2.00000
     21       1.2001      2.00000
     22       1.2147      2.00000
     23       1.3319      2.00000
     24       1.3871      2.00000
     25       1.4903      2.00000
     26       1.5356      2.00000
     27       1.5742      2.00000
     28       1.6517      2.00000
     29       1.7089      2.00000
     30       1.7958      2.00000
     31       1.8609      2.00000
     32       1.9158      2.00000
     33       1.9438      2.00000
     34       2.0918      2.00000
     35       2.1530      2.00000
     36       2.1661      2.00000
     37       2.2400      2.00000
     38       2.2610      2.00000
     39       2.3317      2.00000
     40       2.3796      2.00000
     41       2.4175      2.00000
     42       2.5222      2.00000
     43       2.5790      2.00000
     44       2.5976      2.00000
     45       2.6146      2.00000
     46       2.6807      2.00000
     47       2.7819      2.00000
     48       2.7934      2.00000
     49       2.8747      2.00000
     50       3.0731      2.00000
     51       3.1337      2.00000
     52       3.1825      2.00000
     53       3.3564      2.00000
     54       3.5347      2.00000
     55       3.6269      2.00000
     56       3.8918      2.00000
     57       4.3777      2.00000
     58       4.7517      2.00000
     59       5.0934      2.00000
     60       5.6191      2.01862
     61       5.6842      2.04372
     62       6.1456      0.09394
     63       6.6469     -0.00006
     64       6.9778     -0.00000
     65       7.5236     -0.00000
     66       7.8768     -0.00000
     67       9.0316     -0.00000
     68       9.5497     -0.00000
     69       9.9288     -0.00000
     70      10.0791     -0.00000
     71      10.5612     -0.00000
     72      10.7103     -0.00000
     73      11.0991     -0.00000
     74      11.6545      0.00000
     75      12.2774      0.00000
     76      13.0683      0.00000
     77      13.1831      0.00000
     78      13.8603      0.00000
     79      13.8791      0.00000
     80      14.0671      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4424      2.00000
      9      -0.1345      2.00000
     10       0.0011      2.00000
     11       0.1444      2.00000
     12       0.5448      2.00000
     13       0.5840      2.00000
     14       0.6524      2.00000
     15       0.7601      2.00000
     16       0.8697      2.00000
     17       0.9588      2.00000
     18       1.0143      2.00000
     19       1.0719      2.00000
     20       1.1278      2.00000
     21       1.1832      2.00000
     22       1.2218      2.00000
     23       1.3238      2.00000
     24       1.3949      2.00000
     25       1.4894      2.00000
     26       1.5143      2.00000
     27       1.5667      2.00000
     28       1.6138      2.00000
     29       1.7164      2.00000
     30       1.7611      2.00000
     31       1.8008      2.00000
     32       1.8973      2.00000
     33       1.9578      2.00000
     34       1.9695      2.00000
     35       2.0563      2.00000
     36       2.1875      2.00000
     37       2.1982      2.00000
     38       2.2903      2.00000
     39       2.3181      2.00000
     40       2.3579      2.00000
     41       2.4768      2.00000
     42       2.5028      2.00000
     43       2.5846      2.00000
     44       2.6195      2.00000
     45       2.6865      2.00000
     46       2.7844      2.00000
     47       2.8024      2.00000
     48       2.8239      2.00000
     49       2.8956      2.00000
     50       3.1295      2.00000
     51       3.1767      2.00000
     52       3.2325      2.00000
     53       3.5110      2.00000
     54       3.5719      2.00000
     55       3.6917      2.00000
     56       3.8694      2.00000
     57       4.4179      2.00000
     58       4.5945      2.00000
     59       5.0106      2.00000
     60       5.3995      2.00014
     61       5.6894      2.04612
     62       5.8535      1.96948
     63       6.6836     -0.00002
     64       6.9784     -0.00000
     65       7.3350     -0.00000
     66       7.5668     -0.00000
     67       9.0325     -0.00000
     68       9.3325     -0.00000
     69      10.1042     -0.00000
     70      10.5611     -0.00000
     71      10.9444     -0.00000
     72      11.1875     -0.00000
     73      11.4261     -0.00000
     74      11.7657      0.00000
     75      11.9440      0.00000
     76      12.6449      0.00000
     77      13.4814      0.00000
     78      13.6543      0.00000
     79      14.0801      0.00000
     80      14.1837      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8963      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5870      2.00000
      7     -39.5783      2.00000
      8      -1.1239      2.00000
      9      -0.5250      2.00000
     10       0.1231      2.00000
     11       0.1439      2.00000
     12       0.5077      2.00000
     13       0.6036      2.00000
     14       0.6519      2.00000
     15       0.6980      2.00000
     16       0.8050      2.00000
     17       0.8346      2.00000
     18       0.8594      2.00000
     19       0.9529      2.00000
     20       1.1137      2.00000
     21       1.1497      2.00000
     22       1.1895      2.00000
     23       1.2089      2.00000
     24       1.3196      2.00000
     25       1.3929      2.00000
     26       1.4135      2.00000
     27       1.4601      2.00000
     28       1.5267      2.00000
     29       1.5644      2.00000
     30       1.6986      2.00000
     31       1.7414      2.00000
     32       1.8804      2.00000
     33       1.9184      2.00000
     34       1.9765      2.00000
     35       2.1236      2.00000
     36       2.1623      2.00000
     37       2.2345      2.00000
     38       2.2895      2.00000
     39       2.3537      2.00000
     40       2.4264      2.00000
     41       2.5145      2.00000
     42       2.5785      2.00000
     43       2.6706      2.00000
     44       2.6939      2.00000
     45       2.7825      2.00000
     46       2.7999      2.00000
     47       2.8463      2.00000
     48       2.9043      2.00000
     49       2.9554      2.00000
     50       3.0844      2.00000
     51       3.1257      2.00000
     52       3.2267      2.00000
     53       3.3573      2.00000
     54       3.5147      2.00000
     55       3.7106      2.00000
     56       4.1417      2.00000
     57       4.5627      2.00000
     58       5.0045      2.00000
     59       5.3182      2.00001
     60       5.6647      2.03506
     61       6.0199      0.91216
     62       6.2116     -0.05244
     63       6.6995     -0.00001
     64       7.1578     -0.00000
     65       7.7021     -0.00000
     66       8.7711     -0.00000
     67       8.9560     -0.00000
     68       9.3882     -0.00000
     69      10.3352     -0.00000
     70      10.5730     -0.00000
     71      11.0750     -0.00000
     72      11.6036      0.00000
     73      12.1485      0.00000
     74      12.4986      0.00000
     75      12.8155      0.00000
     76      13.3461      0.00000
     77      13.5673      0.00000
     78      14.0892      0.00000
     79      14.1941      0.00000
     80      14.4597      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5889      2.00000
      7     -39.5763      2.00000
      8      -1.6405      2.00000
      9      -0.8746      2.00000
     10       0.1601      2.00000
     11       0.2543      2.00000
     12       0.3158      2.00000
     13       0.3400      2.00000
     14       0.4213      2.00000
     15       0.6240      2.00000
     16       0.6580      2.00000
     17       0.6882      2.00000
     18       0.7764      2.00000
     19       0.8660      2.00000
     20       0.9540      2.00000
     21       1.0699      2.00000
     22       1.1275      2.00000
     23       1.1904      2.00000
     24       1.2282      2.00000
     25       1.2943      2.00000
     26       1.3765      2.00000
     27       1.4153      2.00000
     28       1.4922      2.00000
     29       1.5996      2.00000
     30       1.7010      2.00000
     31       1.7462      2.00000
     32       1.8454      2.00000
     33       1.8567      2.00000
     34       2.0251      2.00000
     35       2.1624      2.00000
     36       2.1918      2.00000
     37       2.2255      2.00000
     38       2.2651      2.00000
     39       2.3785      2.00000
     40       2.4359      2.00000
     41       2.5017      2.00000
     42       2.6273      2.00000
     43       2.6667      2.00000
     44       2.7841      2.00000
     45       2.8193      2.00000
     46       2.8752      2.00000
     47       2.9446      2.00000
     48       3.0103      2.00000
     49       3.1179      2.00000
     50       3.1658      2.00000
     51       3.2261      2.00000
     52       3.2979      2.00000
     53       3.4905      2.00000
     54       3.7176      2.00000
     55       3.9182      2.00000
     56       3.9542      2.00000
     57       4.1938      2.00000
     58       4.5708      2.00000
     59       5.0803      2.00000
     60       5.6685      2.03670
     61       6.8539     -0.00000
     62       7.3882     -0.00000
     63       7.6938     -0.00000
     64       8.2543     -0.00000
     65       8.4591     -0.00000
     66       8.5078     -0.00000
     67       8.9499     -0.00000
     68       9.1601     -0.00000
     69      11.3776     -0.00000
     70      12.1611      0.00000
     71      12.4641      0.00000
     72      12.6820      0.00000
     73      12.7299      0.00000
     74      13.1152      0.00000
     75      13.2355      0.00000
     76      13.5089      0.00000
     77      13.6729      0.00000
     78      13.7814      0.00000
     79      13.8847      0.00000
     80      14.0699      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9019      2.00000
      2     -39.8952      2.00000
      3     -39.8293      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5897      2.00000
      7     -39.5755      2.00000
      8      -1.6498      2.00000
      9      -0.7683      2.00000
     10      -0.5583      2.00000
     11       0.0899      2.00000
     12       0.2696      2.00000
     13       0.3785      2.00000
     14       0.4240      2.00000
     15       0.5658      2.00000
     16       0.6463      2.00000
     17       0.7484      2.00000
     18       0.7673      2.00000
     19       0.8357      2.00000
     20       0.8996      2.00000
     21       0.9360      2.00000
     22       1.0515      2.00000
     23       1.1157      2.00000
     24       1.1403      2.00000
     25       1.2380      2.00000
     26       1.3257      2.00000
     27       1.3684      2.00000
     28       1.4924      2.00000
     29       1.5988      2.00000
     30       1.6257      2.00000
     31       1.7867      2.00000
     32       1.9010      2.00000
     33       1.9220      2.00000
     34       2.0994      2.00000
     35       2.1580      2.00000
     36       2.2243      2.00000
     37       2.3611      2.00000
     38       2.4406      2.00000
     39       2.4656      2.00000
     40       2.4684      2.00000
     41       2.5491      2.00000
     42       2.6171      2.00000
     43       2.6866      2.00000
     44       2.7374      2.00000
     45       2.8102      2.00000
     46       2.8547      2.00000
     47       2.9497      2.00000
     48       2.9752      2.00000
     49       3.1492      2.00000
     50       3.2247      2.00000
     51       3.3206      2.00000
     52       3.3568      2.00000
     53       3.4461      2.00000
     54       3.5481      2.00000
     55       3.7065      2.00000
     56       3.7400      2.00000
     57       3.9991      2.00000
     58       4.1704      2.00000
     59       5.8015      2.05756
     60       7.1974     -0.00000
     61       7.3766     -0.00000
     62       7.5046     -0.00000
     63       7.7616     -0.00000
     64       8.3809     -0.00000
     65       8.7835     -0.00000
     66       9.3165     -0.00000
     67       9.9491     -0.00000
     68      10.4602     -0.00000
     69      10.6534     -0.00000
     70      11.0951     -0.00000
     71      11.1965     -0.00000
     72      11.4054     -0.00000
     73      12.4893      0.00000
     74      12.9237      0.00000
     75      13.1173      0.00000
     76      13.2046      0.00000
     77      13.3725      0.00000
     78      13.7815      0.00000
     79      13.8421      0.00000
     80      14.5769      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9015      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.3812      2.00000
      9      -0.7624      2.00000
     10      -0.3691      2.00000
     11       0.1231      2.00000
     12       0.2052      2.00000
     13       0.4911      2.00000
     14       0.5440      2.00000
     15       0.6425      2.00000
     16       0.6586      2.00000
     17       0.7514      2.00000
     18       0.7714      2.00000
     19       0.9340      2.00000
     20       0.9583      2.00000
     21       1.0019      2.00000
     22       1.0081      2.00000
     23       1.1185      2.00000
     24       1.1794      2.00000
     25       1.1996      2.00000
     26       1.3321      2.00000
     27       1.3685      2.00000
     28       1.5641      2.00000
     29       1.6199      2.00000
     30       1.7277      2.00000
     31       1.7672      2.00000
     32       1.8371      2.00000
     33       1.9775      2.00000
     34       2.0180      2.00000
     35       2.0506      2.00000
     36       2.1574      2.00000
     37       2.2888      2.00000
     38       2.2960      2.00000
     39       2.3643      2.00000
     40       2.5379      2.00000
     41       2.5618      2.00000
     42       2.6530      2.00000
     43       2.6988      2.00000
     44       2.7460      2.00000
     45       2.8010      2.00000
     46       2.8837      2.00000
     47       2.9271      2.00000
     48       3.0094      2.00000
     49       3.1045      2.00000
     50       3.1381      2.00000
     51       3.2489      2.00000
     52       3.3517      2.00000
     53       3.3734      2.00000
     54       3.5698      2.00000
     55       3.7794      2.00000
     56       3.8448      2.00000
     57       3.9847      2.00000
     58       4.2206      2.00000
     59       6.1795     -0.00352
     60       6.5084     -0.00237
     61       7.3787     -0.00000
     62       7.6896     -0.00000
     63       7.9420     -0.00000
     64       8.3580     -0.00000
     65       8.6156     -0.00000
     66       8.8067     -0.00000
     67       8.9163     -0.00000
     68       9.7254     -0.00000
     69      10.1928     -0.00000
     70      10.6223     -0.00000
     71      10.7418     -0.00000
     72      11.0895     -0.00000
     73      11.8165      0.00000
     74      12.3273      0.00000
     75      12.6180      0.00000
     76      13.1784      0.00000
     77      13.5736      0.00000
     78      13.9828      0.00000
     79      14.2400      0.00000
     80      14.6382      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -0.8991      2.00000
      9      -0.3651      2.00000
     10      -0.0183      2.00000
     11       0.0756      2.00000
     12       0.4514      2.00000
     13       0.5065      2.00000
     14       0.6069      2.00000
     15       0.7032      2.00000
     16       0.7664      2.00000
     17       0.7814      2.00000
     18       0.8284      2.00000
     19       0.9035      2.00000
     20       1.0115      2.00000
     21       1.0384      2.00000
     22       1.1582      2.00000
     23       1.2498      2.00000
     24       1.3033      2.00000
     25       1.3967      2.00000
     26       1.4361      2.00000
     27       1.5106      2.00000
     28       1.6130      2.00000
     29       1.6752      2.00000
     30       1.7382      2.00000
     31       1.7933      2.00000
     32       1.8413      2.00000
     33       1.9216      2.00000
     34       1.9953      2.00000
     35       2.0308      2.00000
     36       2.0699      2.00000
     37       2.2172      2.00000
     38       2.2703      2.00000
     39       2.2968      2.00000
     40       2.4039      2.00000
     41       2.5510      2.00000
     42       2.6178      2.00000
     43       2.6310      2.00000
     44       2.7045      2.00000
     45       2.7380      2.00000
     46       2.8416      2.00000
     47       2.8839      2.00000
     48       2.8969      2.00000
     49       2.9373      2.00000
     50       3.0461      2.00000
     51       3.1392      2.00000
     52       3.3100      2.00000
     53       3.3355      2.00000
     54       3.4833      2.00000
     55       3.5684      2.00000
     56       3.7593      2.00000
     57       4.3953      2.00000
     58       5.2369      2.00000
     59       5.2968      2.00001
     60       5.9313      1.60853
     61       7.1013     -0.00000
     62       7.2080     -0.00000
     63       7.3353     -0.00000
     64       7.4520     -0.00000
     65       8.1121     -0.00000
     66       8.3753     -0.00000
     67       8.6075     -0.00000
     68       8.9834     -0.00000
     69       9.2917     -0.00000
     70       9.7966     -0.00000
     71      10.8516     -0.00000
     72      11.0556     -0.00000
     73      11.3290     -0.00000
     74      11.6975      0.00000
     75      12.4509      0.00000
     76      13.1809      0.00000
     77      13.3287      0.00000
     78      13.6901      0.00000
     79      13.9180      0.00000
     80      14.2373      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5810      2.00000
      8      -0.3848      2.00000
      9      -0.0592      2.00000
     10       0.1193      2.00000
     11       0.1616      2.00000
     12       0.4665      2.00000
     13       0.5023      2.00000
     14       0.5603      2.00000
     15       0.6985      2.00000
     16       0.7974      2.00000
     17       0.9170      2.00000
     18       0.9539      2.00000
     19       1.1283      2.00000
     20       1.1852      2.00000
     21       1.2144      2.00000
     22       1.2352      2.00000
     23       1.3426      2.00000
     24       1.4220      2.00000
     25       1.4442      2.00000
     26       1.5092      2.00000
     27       1.5700      2.00000
     28       1.6396      2.00000
     29       1.6678      2.00000
     30       1.7302      2.00000
     31       1.8340      2.00000
     32       1.9070      2.00000
     33       1.9731      2.00000
     34       2.0374      2.00000
     35       2.1179      2.00000
     36       2.1245      2.00000
     37       2.2049      2.00000
     38       2.2901      2.00000
     39       2.3205      2.00000
     40       2.3551      2.00000
     41       2.4614      2.00000
     42       2.5247      2.00000
     43       2.5449      2.00000
     44       2.6290      2.00000
     45       2.7069      2.00000
     46       2.7385      2.00000
     47       2.8320      2.00000
     48       2.8470      2.00000
     49       2.9519      2.00000
     50       3.0741      2.00000
     51       3.1830      2.00000
     52       3.2883      2.00000
     53       3.3537      2.00000
     54       3.4702      2.00000
     55       3.5940      2.00000
     56       3.7860      2.00000
     57       4.0746      2.00000
     58       4.2797      2.00000
     59       5.4842      2.00129
     60       5.8508      1.97658
     61       6.0104      0.99228
     62       6.2983     -0.06012
     63       6.7381     -0.00000
     64       7.2036     -0.00000
     65       7.6548     -0.00000
     66       8.0524     -0.00000
     67       8.2716     -0.00000
     68       8.8486     -0.00000
     69       9.4008     -0.00000
     70      10.2817     -0.00000
     71      10.4550     -0.00000
     72      10.5553     -0.00000
     73      11.3457     -0.00000
     74      11.8706      0.00000
     75      12.2432      0.00000
     76      12.9011      0.00000
     77      13.1387      0.00000
     78      13.6679      0.00000
     79      13.9147      0.00000
     80      14.6458      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6497      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4400      2.00000
      9      -0.1351      2.00000
     10       0.0614      2.00000
     11       0.1486      2.00000
     12       0.5094      2.00000
     13       0.5410      2.00000
     14       0.6480      2.00000
     15       0.7204      2.00000
     16       0.9051      2.00000
     17       0.9290      2.00000
     18       1.0415      2.00000
     19       1.1008      2.00000
     20       1.1450      2.00000
     21       1.1950      2.00000
     22       1.2527      2.00000
     23       1.3084      2.00000
     24       1.3923      2.00000
     25       1.4366      2.00000
     26       1.4790      2.00000
     27       1.5099      2.00000
     28       1.6702      2.00000
     29       1.6954      2.00000
     30       1.7541      2.00000
     31       1.8020      2.00000
     32       1.8819      2.00000
     33       1.9345      2.00000
     34       1.9954      2.00000
     35       2.0802      2.00000
     36       2.1884      2.00000
     37       2.2120      2.00000
     38       2.2796      2.00000
     39       2.3539      2.00000
     40       2.3729      2.00000
     41       2.4487      2.00000
     42       2.5045      2.00000
     43       2.5529      2.00000
     44       2.6639      2.00000
     45       2.6971      2.00000
     46       2.7452      2.00000
     47       2.8286      2.00000
     48       2.8770      2.00000
     49       2.9118      2.00000
     50       3.1203      2.00000
     51       3.1699      2.00000
     52       3.2515      2.00000
     53       3.4702      2.00000
     54       3.5663      2.00000
     55       3.6129      2.00000
     56       3.9050      2.00000
     57       4.3148      2.00000
     58       4.8801      2.00000
     59       4.9979      2.00000
     60       5.1864      2.00000
     61       5.6025      2.01427
     62       5.7757      2.06988
     63       6.7475     -0.00000
     64       7.1262     -0.00000
     65       7.7379     -0.00000
     66       7.9429     -0.00000
     67       8.7115     -0.00000
     68       9.5105     -0.00000
     69       9.9748     -0.00000
     70      10.0963     -0.00000
     71      10.4484     -0.00000
     72      10.5965     -0.00000
     73      11.1160     -0.00000
     74      11.8210      0.00000
     75      12.2947      0.00000
     76      12.6990      0.00000
     77      13.6208      0.00000
     78      14.0765      0.00000
     79      14.2320      0.00000
     80      14.5778      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -1.0727      2.00000
      9      -0.3475      2.00000
     10      -0.0915      2.00000
     11       0.2755      2.00000
     12       0.4448      2.00000
     13       0.5260      2.00000
     14       0.5543      2.00000
     15       0.6971      2.00000
     16       0.8008      2.00000
     17       0.8473      2.00000
     18       0.9254      2.00000
     19       0.9608      2.00000
     20       1.0499      2.00000
     21       1.0938      2.00000
     22       1.1875      2.00000
     23       1.2292      2.00000
     24       1.2832      2.00000
     25       1.3486      2.00000
     26       1.4290      2.00000
     27       1.4703      2.00000
     28       1.5609      2.00000
     29       1.6099      2.00000
     30       1.7881      2.00000
     31       1.8213      2.00000
     32       1.8619      2.00000
     33       1.9696      2.00000
     34       1.9953      2.00000
     35       2.0487      2.00000
     36       2.1103      2.00000
     37       2.1324      2.00000
     38       2.2079      2.00000
     39       2.3363      2.00000
     40       2.4276      2.00000
     41       2.4703      2.00000
     42       2.6055      2.00000
     43       2.6596      2.00000
     44       2.6866      2.00000
     45       2.7862      2.00000
     46       2.8098      2.00000
     47       2.8710      2.00000
     48       2.9425      2.00000
     49       2.9838      2.00000
     50       3.0862      2.00000
     51       3.1252      2.00000
     52       3.2407      2.00000
     53       3.3233      2.00000
     54       3.4482      2.00000
     55       3.6294      2.00000
     56       4.0750      2.00000
     57       4.2516      2.00000
     58       5.1816      2.00000
     59       5.7667      2.07088
     60       5.9213      1.67185
     61       6.0987      0.32192
     62       6.5709     -0.00053
     63       6.7986     -0.00000
     64       7.2471     -0.00000
     65       7.6734     -0.00000
     66       8.3462     -0.00000
     67       9.2817     -0.00000
     68       9.4766     -0.00000
     69       9.9742     -0.00000
     70      10.3208     -0.00000
     71      11.2796     -0.00000
     72      11.4302     -0.00000
     73      11.8259      0.00000
     74      11.9807      0.00000
     75      12.3748      0.00000
     76      12.7765      0.00000
     77      13.4140      0.00000
     78      13.6990      0.00000
     79      13.8428      0.00000
     80      14.3161      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9015      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6499      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.5473      2.00000
      9      -0.5147      2.00000
     10      -0.4501      2.00000
     11       0.2233      2.00000
     12       0.2401      2.00000
     13       0.4957      2.00000
     14       0.5275      2.00000
     15       0.6020      2.00000
     16       0.6454      2.00000
     17       0.6941      2.00000
     18       0.8081      2.00000
     19       0.9107      2.00000
     20       0.9592      2.00000
     21       0.9941      2.00000
     22       1.0318      2.00000
     23       1.1242      2.00000
     24       1.1708      2.00000
     25       1.2281      2.00000
     26       1.4083      2.00000
     27       1.4442      2.00000
     28       1.4882      2.00000
     29       1.5995      2.00000
     30       1.6459      2.00000
     31       1.7409      2.00000
     32       1.8722      2.00000
     33       1.8992      2.00000
     34       2.0147      2.00000
     35       2.1060      2.00000
     36       2.2112      2.00000
     37       2.2629      2.00000
     38       2.3559      2.00000
     39       2.3802      2.00000
     40       2.4502      2.00000
     41       2.5959      2.00000
     42       2.6674      2.00000
     43       2.6927      2.00000
     44       2.7443      2.00000
     45       2.8398      2.00000
     46       2.8700      2.00000
     47       2.9049      2.00000
     48       3.0522      2.00000
     49       3.1039      2.00000
     50       3.1753      2.00000
     51       3.2208      2.00000
     52       3.2283      2.00000
     53       3.5348      2.00000
     54       3.6103      2.00000
     55       3.6536      2.00000
     56       3.8342      2.00000
     57       3.9560      2.00000
     58       4.5410      2.00000
     59       5.6388      2.02492
     60       6.3653     -0.03049
     61       6.7404     -0.00000
     62       7.5724     -0.00000
     63       7.8709     -0.00000
     64       8.6421     -0.00000
     65       8.8610     -0.00000
     66       9.2333     -0.00000
     67       9.4029     -0.00000
     68       9.5500     -0.00000
     69       9.7950     -0.00000
     70      10.5843     -0.00000
     71      11.1749     -0.00000
     72      11.5547      0.00000
     73      11.9781      0.00000
     74      12.2596      0.00000
     75      12.9407      0.00000
     76      13.1373      0.00000
     77      13.3671      0.00000
     78      13.8989      0.00000
     79      14.5910      0.00000
     80      14.7362      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9019      2.00000
      2     -39.8952      2.00000
      3     -39.8293      2.00000
      4     -39.6501      2.00000
      5     -39.6496      2.00000
      6     -39.5897      2.00000
      7     -39.5755      2.00000
      8      -1.5947      2.00000
      9      -0.8209      2.00000
     10      -0.5282      2.00000
     11       0.0828      2.00000
     12       0.1508      2.00000
     13       0.3599      2.00000
     14       0.4265      2.00000
     15       0.5667      2.00000
     16       0.6570      2.00000
     17       0.7904      2.00000
     18       0.8038      2.00000
     19       0.8740      2.00000
     20       0.8797      2.00000
     21       0.9364      2.00000
     22       1.0178      2.00000
     23       1.0392      2.00000
     24       1.0901      2.00000
     25       1.2643      2.00000
     26       1.3114      2.00000
     27       1.3855      2.00000
     28       1.4899      2.00000
     29       1.6275      2.00000
     30       1.6726      2.00000
     31       1.7659      2.00000
     32       1.8562      2.00000
     33       1.9655      2.00000
     34       2.0155      2.00000
     35       2.1863      2.00000
     36       2.2120      2.00000
     37       2.3320      2.00000
     38       2.4288      2.00000
     39       2.4603      2.00000
     40       2.4729      2.00000
     41       2.5105      2.00000
     42       2.6173      2.00000
     43       2.6296      2.00000
     44       2.6693      2.00000
     45       2.8289      2.00000
     46       2.8545      2.00000
     47       2.9461      2.00000
     48       2.9510      2.00000
     49       3.0028      2.00000
     50       3.1900      2.00000
     51       3.2708      2.00000
     52       3.4311      2.00000
     53       3.5562      2.00000
     54       3.6440      2.00000
     55       3.9646      2.00000
     56       4.1243      2.00000
     57       4.1914      2.00000
     58       4.5891      2.00000
     59       5.8576      1.95787
     60       6.2362     -0.06803
     61       6.5600     -0.00070
     62       7.3827     -0.00000
     63       7.9569     -0.00000
     64       8.1903     -0.00000
     65       8.7773     -0.00000
     66       9.1573     -0.00000
     67       9.1802     -0.00000
     68      11.0435     -0.00000
     69      11.4086     -0.00000
     70      11.5499      0.00000
     71      11.8264      0.00000
     72      12.2287      0.00000
     73      12.6369      0.00000
     74      13.1622      0.00000
     75      13.1753      0.00000
     76      13.3065      0.00000
     77      13.3718      0.00000
     78      13.8022      0.00000
     79      13.8493      0.00000
     80      14.0337      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9015      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6495      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.3438      2.00000
      9      -0.6402      2.00000
     10      -0.5148      2.00000
     11       0.0544      2.00000
     12       0.2004      2.00000
     13       0.4849      2.00000
     14       0.5640      2.00000
     15       0.6391      2.00000
     16       0.6584      2.00000
     17       0.7630      2.00000
     18       0.7945      2.00000
     19       0.9169      2.00000
     20       0.9260      2.00000
     21       0.9597      2.00000
     22       0.9903      2.00000
     23       1.1145      2.00000
     24       1.1459      2.00000
     25       1.1921      2.00000
     26       1.3919      2.00000
     27       1.4400      2.00000
     28       1.5981      2.00000
     29       1.6260      2.00000
     30       1.6767      2.00000
     31       1.7254      2.00000
     32       1.7865      2.00000
     33       1.9383      2.00000
     34       2.0396      2.00000
     35       2.0795      2.00000
     36       2.2025      2.00000
     37       2.2208      2.00000
     38       2.2862      2.00000
     39       2.4557      2.00000
     40       2.4915      2.00000
     41       2.5319      2.00000
     42       2.6393      2.00000
     43       2.6767      2.00000
     44       2.7163      2.00000
     45       2.7513      2.00000
     46       2.8459      2.00000
     47       2.8960      2.00000
     48       2.9882      2.00000
     49       3.0745      2.00000
     50       3.1262      2.00000
     51       3.1892      2.00000
     52       3.3071      2.00000
     53       3.4353      2.00000
     54       3.5229      2.00000
     55       3.7636      2.00000
     56       3.8867      2.00000
     57       5.0215      2.00000
     58       5.2032      2.00000
     59       5.6986      2.05037
     60       6.0191      0.91876
     61       6.8182     -0.00000
     62       7.3346     -0.00000
     63       7.4784     -0.00000
     64       7.6729     -0.00000
     65       8.1081     -0.00000
     66       8.2101     -0.00000
     67      10.0732     -0.00000
     68      10.3292     -0.00000
     69      10.4920     -0.00000
     70      11.1368     -0.00000
     71      11.1598     -0.00000
     72      11.6197      0.00000
     73      12.3379      0.00000
     74      12.4014      0.00000
     75      12.9114      0.00000
     76      13.1752      0.00000
     77      13.7133      0.00000
     78      13.8698      0.00000
     79      14.1000      0.00000
     80      14.4298      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -0.8898      2.00000
      9      -0.3460      2.00000
     10      -0.0271      2.00000
     11       0.0362      2.00000
     12       0.4813      2.00000
     13       0.5082      2.00000
     14       0.5918      2.00000
     15       0.6995      2.00000
     16       0.7530      2.00000
     17       0.7892      2.00000
     18       0.8368      2.00000
     19       0.8896      2.00000
     20       1.0080      2.00000
     21       1.0287      2.00000
     22       1.1349      2.00000
     23       1.2625      2.00000
     24       1.3510      2.00000
     25       1.4058      2.00000
     26       1.4834      2.00000
     27       1.5333      2.00000
     28       1.5587      2.00000
     29       1.6182      2.00000
     30       1.7653      2.00000
     31       1.8131      2.00000
     32       1.8755      2.00000
     33       1.9147      2.00000
     34       1.9777      2.00000
     35       2.0256      2.00000
     36       2.1160      2.00000
     37       2.1812      2.00000
     38       2.2404      2.00000
     39       2.2663      2.00000
     40       2.3233      2.00000
     41       2.5533      2.00000
     42       2.6039      2.00000
     43       2.6464      2.00000
     44       2.7230      2.00000
     45       2.7359      2.00000
     46       2.8567      2.00000
     47       2.8849      2.00000
     48       2.9231      2.00000
     49       2.9619      2.00000
     50       3.0555      2.00000
     51       3.1405      2.00000
     52       3.2770      2.00000
     53       3.3484      2.00000
     54       3.4138      2.00000
     55       3.5056      2.00000
     56       3.7218      2.00000
     57       4.6787      2.00000
     58       5.4134      2.00021
     59       5.6373      2.02442
     60       5.8235      2.03249
     61       6.7490     -0.00000
     62       6.9536     -0.00000
     63       7.1194     -0.00000
     64       7.2438     -0.00000
     65       8.4528     -0.00000
     66       8.5150     -0.00000
     67       8.6267     -0.00000
     68       8.8523     -0.00000
     69       9.2252     -0.00000
     70       9.6593     -0.00000
     71      10.9572     -0.00000
     72      11.1567     -0.00000
     73      11.3833     -0.00000
     74      11.9445      0.00000
     75      12.7538      0.00000
     76      13.0516      0.00000
     77      13.4790      0.00000
     78      13.6750      0.00000
     79      14.0036      0.00000
     80      14.3032      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5810      2.00000
      8      -0.3599      2.00000
      9      -0.1091      2.00000
     10       0.1132      2.00000
     11       0.1851      2.00000
     12       0.4723      2.00000
     13       0.5402      2.00000
     14       0.5979      2.00000
     15       0.6593      2.00000
     16       0.7637      2.00000
     17       0.9061      2.00000
     18       0.9608      2.00000
     19       1.0835      2.00000
     20       1.1597      2.00000
     21       1.2112      2.00000
     22       1.2337      2.00000
     23       1.3249      2.00000
     24       1.4095      2.00000
     25       1.5074      2.00000
     26       1.5170      2.00000
     27       1.5479      2.00000
     28       1.6343      2.00000
     29       1.7254      2.00000
     30       1.7558      2.00000
     31       1.8383      2.00000
     32       1.9038      2.00000
     33       1.9797      2.00000
     34       2.0512      2.00000
     35       2.1116      2.00000
     36       2.1860      2.00000
     37       2.2567      2.00000
     38       2.3133      2.00000
     39       2.3253      2.00000
     40       2.3726      2.00000
     41       2.4289      2.00000
     42       2.5411      2.00000
     43       2.5638      2.00000
     44       2.5753      2.00000
     45       2.6371      2.00000
     46       2.7036      2.00000
     47       2.7615      2.00000
     48       2.8234      2.00000
     49       2.9559      2.00000
     50       3.0505      2.00000
     51       3.1352      2.00000
     52       3.1904      2.00000
     53       3.3262      2.00000
     54       3.5371      2.00000
     55       3.5984      2.00000
     56       3.9587      2.00000
     57       4.1947      2.00000
     58       4.4262      2.00000
     59       5.2752      2.00000
     60       5.8340      2.01458
     61       5.9672      1.34860
     62       6.2227     -0.06143
     63       6.4691     -0.00544
     64       6.9536     -0.00000
     65       7.8298     -0.00000
     66       8.0757     -0.00000
     67       8.8410     -0.00000
     68       9.1980     -0.00000
     69       9.7251     -0.00000
     70       9.8021     -0.00000
     71      10.3469     -0.00000
     72      10.5825     -0.00000
     73      11.0313     -0.00000
     74      11.8231      0.00000
     75      12.5946      0.00000
     76      12.7248      0.00000
     77      13.2878      0.00000
     78      13.7387      0.00000
     79      14.3000      0.00000
     80      14.4059      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4336      2.00000
      9      -0.1254      2.00000
     10      -0.0019      2.00000
     11       0.1461      2.00000
     12       0.5577      2.00000
     13       0.5998      2.00000
     14       0.6656      2.00000
     15       0.7899      2.00000
     16       0.8068      2.00000
     17       0.9251      2.00000
     18       0.9849      2.00000
     19       1.0661      2.00000
     20       1.1316      2.00000
     21       1.1655      2.00000
     22       1.2384      2.00000
     23       1.3438      2.00000
     24       1.3970      2.00000
     25       1.4174      2.00000
     26       1.4924      2.00000
     27       1.6172      2.00000
     28       1.6755      2.00000
     29       1.7198      2.00000
     30       1.7837      2.00000
     31       1.8353      2.00000
     32       1.8901      2.00000
     33       1.9065      2.00000
     34       1.9998      2.00000
     35       2.1170      2.00000
     36       2.1879      2.00000
     37       2.2144      2.00000
     38       2.2572      2.00000
     39       2.3120      2.00000
     40       2.3873      2.00000
     41       2.4615      2.00000
     42       2.5085      2.00000
     43       2.5500      2.00000
     44       2.6283      2.00000
     45       2.6546      2.00000
     46       2.7373      2.00000
     47       2.7763      2.00000
     48       2.8293      2.00000
     49       2.8742      2.00000
     50       3.1426      2.00000
     51       3.1433      2.00000
     52       3.3482      2.00000
     53       3.4633      2.00000
     54       3.5809      2.00000
     55       3.6156      2.00000
     56       3.7668      2.00000
     57       4.3587      2.00000
     58       4.5570      2.00000
     59       5.1423      2.00000
     60       5.6169      2.01798
     61       5.6943      2.04839
     62       6.4518     -0.00761
     63       6.5142     -0.00208
     64       6.8492     -0.00000
     65       6.9743     -0.00000
     66       7.3706     -0.00000
     67       9.0888     -0.00000
     68       9.2641     -0.00000
     69      10.2804     -0.00000
     70      10.5937     -0.00000
     71      10.8520     -0.00000
     72      11.5474      0.00000
     73      11.6031      0.00000
     74      11.8738      0.00000
     75      12.2407      0.00000
     76      12.6335      0.00000
     77      12.9820      0.00000
     78      13.1225      0.00000
     79      13.8893      0.00000
     80      14.2885      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8963      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5870      2.00000
      7     -39.5782      2.00000
      8      -1.0997      2.00000
      9      -0.2989      2.00000
     10      -0.1390      2.00000
     11       0.2422      2.00000
     12       0.4981      2.00000
     13       0.5602      2.00000
     14       0.5873      2.00000
     15       0.6711      2.00000
     16       0.7755      2.00000
     17       0.8684      2.00000
     18       0.9368      2.00000
     19       1.0328      2.00000
     20       1.0976      2.00000
     21       1.1373      2.00000
     22       1.1741      2.00000
     23       1.1959      2.00000
     24       1.2426      2.00000
     25       1.2803      2.00000
     26       1.3632      2.00000
     27       1.4992      2.00000
     28       1.5617      2.00000
     29       1.6463      2.00000
     30       1.6902      2.00000
     31       1.8079      2.00000
     32       1.8471      2.00000
     33       1.9647      2.00000
     34       2.0342      2.00000
     35       2.0994      2.00000
     36       2.1706      2.00000
     37       2.2300      2.00000
     38       2.2445      2.00000
     39       2.2999      2.00000
     40       2.3433      2.00000
     41       2.5387      2.00000
     42       2.6189      2.00000
     43       2.6458      2.00000
     44       2.7121      2.00000
     45       2.7447      2.00000
     46       2.7896      2.00000
     47       2.8190      2.00000
     48       2.9372      2.00000
     49       3.0058      2.00000
     50       3.0704      2.00000
     51       3.1420      2.00000
     52       3.2177      2.00000
     53       3.4246      2.00000
     54       3.4682      2.00000
     55       3.5692      2.00000
     56       3.7242      2.00000
     57       4.5338      2.00000
     58       4.7813      2.00000
     59       5.3693      2.00006
     60       5.9351      1.58362
     61       6.4661     -0.00577
     62       6.8061     -0.00000
     63       7.1494     -0.00000
     64       7.3712     -0.00000
     65       7.9736     -0.00000
     66       8.6379     -0.00000
     67       8.8038     -0.00000
     68       9.4614     -0.00000
     69       9.8632     -0.00000
     70       9.9607     -0.00000
     71      10.6044     -0.00000
     72      11.2154     -0.00000
     73      11.9098      0.00000
     74      12.2317      0.00000
     75      12.5477      0.00000
     76      13.1998      0.00000
     77      13.9456      0.00000
     78      14.0369      0.00000
     79      14.3613      0.00000
     80      14.5013      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9016      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.5335      2.00000
      9      -0.6215      2.00000
     10      -0.3391      2.00000
     11       0.1911      2.00000
     12       0.2476      2.00000
     13       0.4585      2.00000
     14       0.5278      2.00000
     15       0.6061      2.00000
     16       0.6337      2.00000
     17       0.7095      2.00000
     18       0.8209      2.00000
     19       0.9301      2.00000
     20       0.9586      2.00000
     21       0.9948      2.00000
     22       1.0617      2.00000
     23       1.1405      2.00000
     24       1.1619      2.00000
     25       1.2659      2.00000
     26       1.2790      2.00000
     27       1.3952      2.00000
     28       1.5996      2.00000
     29       1.6529      2.00000
     30       1.7136      2.00000
     31       1.7557      2.00000
     32       1.8336      2.00000
     33       1.8667      2.00000
     34       2.0011      2.00000
     35       2.0317      2.00000
     36       2.1274      2.00000
     37       2.3255      2.00000
     38       2.3571      2.00000
     39       2.4488      2.00000
     40       2.5249      2.00000
     41       2.5301      2.00000
     42       2.5982      2.00000
     43       2.6805      2.00000
     44       2.6868      2.00000
     45       2.8048      2.00000
     46       2.8446      2.00000
     47       2.8894      2.00000
     48       3.0610      2.00000
     49       3.1021      2.00000
     50       3.1954      2.00000
     51       3.2568      2.00000
     52       3.3118      2.00000
     53       3.4003      2.00000
     54       3.5839      2.00000
     55       3.7876      2.00000
     56       3.8171      2.00000
     57       4.0029      2.00000
     58       4.7186      2.00000
     59       5.6409      2.02567
     60       6.5170     -0.00196
     61       6.7685     -0.00000
     62       7.4700     -0.00000
     63       7.9300     -0.00000
     64       8.0060     -0.00000
     65       8.4123     -0.00000
     66       9.0466     -0.00000
     67       9.1935     -0.00000
     68      10.0523     -0.00000
     69      10.5276     -0.00000
     70      10.6564     -0.00000
     71      11.1244     -0.00000
     72      11.4731      0.00000
     73      12.0728      0.00000
     74      12.6076      0.00000
     75      13.0135      0.00000
     76      13.2793      0.00000
     77      13.4656      0.00000
     78      13.9225      0.00000
     79      14.2457      0.00000
     80      14.5002      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9019      2.00000
      2     -39.8952      2.00000
      3     -39.8293      2.00000
      4     -39.6501      2.00000
      5     -39.6496      2.00000
      6     -39.5897      2.00000
      7     -39.5755      2.00000
      8      -1.5948      2.00000
      9      -0.7517      2.00000
     10      -0.6298      2.00000
     11       0.0833      2.00000
     12       0.1882      2.00000
     13       0.3540      2.00000
     14       0.4261      2.00000
     15       0.5828      2.00000
     16       0.6320      2.00000
     17       0.7557      2.00000
     18       0.7957      2.00000
     19       0.8471      2.00000
     20       0.9147      2.00000
     21       0.9448      2.00000
     22       1.0734      2.00000
     23       1.1243      2.00000
     24       1.1631      2.00000
     25       1.2526      2.00000
     26       1.2598      2.00000
     27       1.2757      2.00000
     28       1.4790      2.00000
     29       1.5981      2.00000
     30       1.6349      2.00000
     31       1.7601      2.00000
     32       1.8021      2.00000
     33       1.9246      2.00000
     34       2.1298      2.00000
     35       2.1651      2.00000
     36       2.3528      2.00000
     37       2.3583      2.00000
     38       2.4034      2.00000
     39       2.4348      2.00000
     40       2.4709      2.00000
     41       2.5418      2.00000
     42       2.6294      2.00000
     43       2.6415      2.00000
     44       2.7322      2.00000
     45       2.8069      2.00000
     46       2.8456      2.00000
     47       2.8932      2.00000
     48       2.9740      2.00000
     49       3.0326      2.00000
     50       3.1790      2.00000
     51       3.2348      2.00000
     52       3.3722      2.00000
     53       3.5928      2.00000
     54       3.6366      2.00000
     55       3.9606      2.00000
     56       4.0564      2.00000
     57       4.2008      2.00000
     58       4.5693      2.00000
     59       5.7304      2.06387
     60       6.2307     -0.06588
     61       6.6884     -0.00002
     62       7.5194     -0.00000
     63       7.8617     -0.00000
     64       8.0322     -0.00000
     65       8.8148     -0.00000
     66       9.3416     -0.00000
     67       9.7766     -0.00000
     68      10.7431     -0.00000
     69      10.8962     -0.00000
     70      11.3820     -0.00000
     71      11.9902      0.00000
     72      12.0633      0.00000
     73      12.5131      0.00000
     74      12.9026      0.00000
     75      13.0227      0.00000
     76      13.2819      0.00000
     77      13.4044      0.00000
     78      13.8474      0.00000
     79      13.9389      0.00000
     80      14.2832      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9015      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.3789      2.00000
      9      -0.7156      2.00000
     10      -0.4325      2.00000
     11       0.1269      2.00000
     12       0.2009      2.00000
     13       0.4957      2.00000
     14       0.5642      2.00000
     15       0.6456      2.00000
     16       0.6518      2.00000
     17       0.7582      2.00000
     18       0.7742      2.00000
     19       0.9382      2.00000
     20       0.9510      2.00000
     21       0.9603      2.00000
     22       0.9900      2.00000
     23       1.1316      2.00000
     24       1.1754      2.00000
     25       1.1968      2.00000
     26       1.3785      2.00000
     27       1.3940      2.00000
     28       1.5189      2.00000
     29       1.6203      2.00000
     30       1.6294      2.00000
     31       1.8078      2.00000
     32       1.8543      2.00000
     33       1.9679      2.00000
     34       1.9906      2.00000
     35       2.1686      2.00000
     36       2.2098      2.00000
     37       2.2377      2.00000
     38       2.2641      2.00000
     39       2.3106      2.00000
     40       2.5559      2.00000
     41       2.5845      2.00000
     42       2.6202      2.00000
     43       2.6896      2.00000
     44       2.7501      2.00000
     45       2.8140      2.00000
     46       2.8936      2.00000
     47       2.9745      2.00000
     48       3.0031      2.00000
     49       3.0971      2.00000
     50       3.1487      2.00000
     51       3.2219      2.00000
     52       3.2964      2.00000
     53       3.4059      2.00000
     54       3.5632      2.00000
     55       3.7460      2.00000
     56       3.8944      2.00000
     57       4.0098      2.00000
     58       4.3400      2.00000
     59       6.2154     -0.05592
     60       6.6537     -0.00005
     61       7.1305     -0.00000
     62       7.3587     -0.00000
     63       7.9669     -0.00000
     64       8.1858     -0.00000
     65       8.3670     -0.00000
     66       8.7777     -0.00000
     67       9.6647     -0.00000
     68       9.8543     -0.00000
     69      10.1704     -0.00000
     70      10.3331     -0.00000
     71      10.8647     -0.00000
     72      11.3149     -0.00000
     73      11.9685      0.00000
     74      12.2294      0.00000
     75      12.5928      0.00000
     76      13.1108      0.00000
     77      13.5176      0.00000
     78      13.8247      0.00000
     79      14.3154      0.00000
     80      14.5819      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6496      2.00000
      6     -39.5871      2.00000
      7     -39.5782      2.00000
      8      -0.9040      2.00000
      9      -0.4434      2.00000
     10       0.0653      2.00000
     11       0.1231      2.00000
     12       0.4040      2.00000
     13       0.5097      2.00000
     14       0.6548      2.00000
     15       0.6832      2.00000
     16       0.7514      2.00000
     17       0.7912      2.00000
     18       0.8337      2.00000
     19       0.9211      2.00000
     20       1.0318      2.00000
     21       1.0488      2.00000
     22       1.1286      2.00000
     23       1.2387      2.00000
     24       1.2787      2.00000
     25       1.2995      2.00000
     26       1.4005      2.00000
     27       1.4807      2.00000
     28       1.6855      2.00000
     29       1.7161      2.00000
     30       1.8034      2.00000
     31       1.8332      2.00000
     32       1.8544      2.00000
     33       1.9107      2.00000
     34       1.9732      2.00000
     35       1.9951      2.00000
     36       2.0434      2.00000
     37       2.2279      2.00000
     38       2.3128      2.00000
     39       2.3687      2.00000
     40       2.4847      2.00000
     41       2.5269      2.00000
     42       2.5698      2.00000
     43       2.6761      2.00000
     44       2.7043      2.00000
     45       2.7414      2.00000
     46       2.7667      2.00000
     47       2.8711      2.00000
     48       2.8842      2.00000
     49       2.9097      2.00000
     50       3.0887      2.00000
     51       3.1781      2.00000
     52       3.3389      2.00000
     53       3.3471      2.00000
     54       3.5880      2.00000
     55       3.7385      2.00000
     56       3.8198      2.00000
     57       4.0129      2.00000
     58       4.6466      2.00000
     59       4.7972      2.00000
     60       6.5694     -0.00055
     61       7.0290     -0.00000
     62       7.5004     -0.00000
     63       7.6027     -0.00000
     64       7.8076     -0.00000
     65       8.0018     -0.00000
     66       8.7813     -0.00000
     67       8.8926     -0.00000
     68       9.1883     -0.00000
     69       9.6035     -0.00000
     70       9.6542     -0.00000
     71       9.8430     -0.00000
     72      10.1104     -0.00000
     73      11.4456     -0.00000
     74      11.7466      0.00000
     75      11.8882      0.00000
     76      12.9957      0.00000
     77      13.2833      0.00000
     78      14.0281      0.00000
     79      14.3013      0.00000
     80      14.7061      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8991      2.00000
      2     -39.8977      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5843      2.00000
      7     -39.5811      2.00000
      8      -0.3566      2.00000
      9      -0.1089      2.00000
     10       0.1199      2.00000
     11       0.1610      2.00000
     12       0.4304      2.00000
     13       0.5453      2.00000
     14       0.6184      2.00000
     15       0.7189      2.00000
     16       0.7841      2.00000
     17       0.8951      2.00000
     18       0.9483      2.00000
     19       1.0873      2.00000
     20       1.1266      2.00000
     21       1.1970      2.00000
     22       1.2137      2.00000
     23       1.3541      2.00000
     24       1.3927      2.00000
     25       1.4584      2.00000
     26       1.5124      2.00000
     27       1.6704      2.00000
     28       1.7015      2.00000
     29       1.7409      2.00000
     30       1.7458      2.00000
     31       1.8447      2.00000
     32       1.8732      2.00000
     33       1.9461      2.00000
     34       2.0131      2.00000
     35       2.1267      2.00000
     36       2.1708      2.00000
     37       2.2488      2.00000
     38       2.2807      2.00000
     39       2.3600      2.00000
     40       2.3889      2.00000
     41       2.4401      2.00000
     42       2.5233      2.00000
     43       2.5779      2.00000
     44       2.5970      2.00000
     45       2.6457      2.00000
     46       2.6859      2.00000
     47       2.7366      2.00000
     48       2.7898      2.00000
     49       2.8715      2.00000
     50       3.0794      2.00000
     51       3.1298      2.00000
     52       3.1791      2.00000
     53       3.2249      2.00000
     54       3.4937      2.00000
     55       3.5980      2.00000
     56       3.9787      2.00000
     57       4.6360      2.00000
     58       4.6846      2.00000
     59       5.0950      2.00000
     60       5.6608      2.03339
     61       5.7632      2.07090
     62       6.0752      0.47576
     63       6.3623     -0.03168
     64       6.9614     -0.00000
     65       7.6528     -0.00000
     66       8.4440     -0.00000
     67       8.9810     -0.00000
     68       9.3443     -0.00000
     69       9.4881     -0.00000
     70       9.8202     -0.00000
     71      10.5660     -0.00000
     72      11.0811     -0.00000
     73      11.4779      0.00000
     74      11.7163      0.00000
     75      12.1447      0.00000
     76      12.5330      0.00000
     77      12.7877      0.00000
     78      13.5871      0.00000
     79      13.9186      0.00000
     80      14.1858      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8992      2.00000
      2     -39.8976      2.00000
      3     -39.8288      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5842      2.00000
      7     -39.5811      2.00000
      8      -0.4200      2.00000
      9      -0.1764      2.00000
     10       0.0596      2.00000
     11       0.1492      2.00000
     12       0.5370      2.00000
     13       0.5942      2.00000
     14       0.6873      2.00000
     15       0.7644      2.00000
     16       0.8031      2.00000
     17       0.8778      2.00000
     18       0.9624      2.00000
     19       1.1016      2.00000
     20       1.1303      2.00000
     21       1.2122      2.00000
     22       1.2863      2.00000
     23       1.3022      2.00000
     24       1.3757      2.00000
     25       1.4152      2.00000
     26       1.4724      2.00000
     27       1.5551      2.00000
     28       1.6753      2.00000
     29       1.7525      2.00000
     30       1.7865      2.00000
     31       1.8357      2.00000
     32       1.8648      2.00000
     33       1.9674      2.00000
     34       2.0604      2.00000
     35       2.0843      2.00000
     36       2.1371      2.00000
     37       2.2471      2.00000
     38       2.2807      2.00000
     39       2.2846      2.00000
     40       2.4473      2.00000
     41       2.4673      2.00000
     42       2.4779      2.00000
     43       2.5570      2.00000
     44       2.6426      2.00000
     45       2.6482      2.00000
     46       2.7211      2.00000
     47       2.7963      2.00000
     48       2.8054      2.00000
     49       2.8826      2.00000
     50       3.0936      2.00000
     51       3.1774      2.00000
     52       3.2486      2.00000
     53       3.4740      2.00000
     54       3.5634      2.00000
     55       3.6542      2.00000
     56       4.0507      2.00000
     57       4.5011      2.00000
     58       4.5735      2.00000
     59       4.8588      2.00000
     60       5.1596      2.00000
     61       5.6536      2.03047
     62       6.1185      0.21219
     63       6.3744     -0.02700
     64       7.5592     -0.00000
     65       7.7046     -0.00000
     66       8.0433     -0.00000
     67       8.3913     -0.00000
     68       8.9742     -0.00000
     69       9.7078     -0.00000
     70      10.2784     -0.00000
     71      10.4970     -0.00000
     72      11.2820     -0.00000
     73      11.6558      0.00000
     74      12.2162      0.00000
     75      12.4706      0.00000
     76      12.6006      0.00000
     77      13.4338      0.00000
     78      13.6661      0.00000
     79      14.1811      0.00000
     80      14.3107      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9005      2.00000
      2     -39.8964      2.00000
      3     -39.8290      2.00000
      4     -39.6498      2.00000
      5     -39.6495      2.00000
      6     -39.5870      2.00000
      7     -39.5782      2.00000
      8      -1.0349      2.00000
      9      -0.4564      2.00000
     10      -0.0478      2.00000
     11       0.3378      2.00000
     12       0.4465      2.00000
     13       0.5251      2.00000
     14       0.5824      2.00000
     15       0.6568      2.00000
     16       0.7503      2.00000
     17       0.8306      2.00000
     18       0.9294      2.00000
     19       0.9958      2.00000
     20       1.0292      2.00000
     21       1.1106      2.00000
     22       1.2009      2.00000
     23       1.2235      2.00000
     24       1.3066      2.00000
     25       1.3622      2.00000
     26       1.3868      2.00000
     27       1.4496      2.00000
     28       1.5128      2.00000
     29       1.6203      2.00000
     30       1.7826      2.00000
     31       1.8538      2.00000
     32       1.8724      2.00000
     33       1.9273      2.00000
     34       1.9792      2.00000
     35       2.0412      2.00000
     36       2.1291      2.00000
     37       2.1897      2.00000
     38       2.2637      2.00000
     39       2.3420      2.00000
     40       2.4534      2.00000
     41       2.4946      2.00000
     42       2.5027      2.00000
     43       2.6447      2.00000
     44       2.6802      2.00000
     45       2.7651      2.00000
     46       2.8098      2.00000
     47       2.8506      2.00000
     48       2.9336      2.00000
     49       3.0317      2.00000
     50       3.0864      2.00000
     51       3.1485      2.00000
     52       3.2378      2.00000
     53       3.3159      2.00000
     54       3.4884      2.00000
     55       3.6501      2.00000
     56       3.8496      2.00000
     57       4.7792      2.00000
     58       5.2277      2.00000
     59       5.3060      2.00001
     60       5.5975      2.01311
     61       6.3234     -0.04892
     62       6.5159     -0.00201
     63       7.2563     -0.00000
     64       7.3458     -0.00000
     65       7.7128     -0.00000
     66       8.0798     -0.00000
     67       8.9495     -0.00000
     68       9.6403     -0.00000
     69      10.0187     -0.00000
     70      10.4816     -0.00000
     71      10.6806     -0.00000
     72      10.9524     -0.00000
     73      11.3355     -0.00000
     74      12.4783      0.00000
     75      12.9692      0.00000
     76      13.3460      0.00000
     77      13.5776      0.00000
     78      14.0813      0.00000
     79      14.2624      0.00000
     80      14.8334      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9015      2.00000
      2     -39.8955      2.00000
      3     -39.8292      2.00000
      4     -39.6500      2.00000
      5     -39.6496      2.00000
      6     -39.5890      2.00000
      7     -39.5762      2.00000
      8      -1.4717      2.00000
      9      -0.7191      2.00000
     10      -0.3230      2.00000
     11       0.1601      2.00000
     12       0.2306      2.00000
     13       0.4866      2.00000
     14       0.5321      2.00000
     15       0.6249      2.00000
     16       0.6403      2.00000
     17       0.6789      2.00000
     18       0.8311      2.00000
     19       0.8958      2.00000
     20       0.9495      2.00000
     21       0.9947      2.00000
     22       1.0050      2.00000
     23       1.1570      2.00000
     24       1.1805      2.00000
     25       1.2650      2.00000
     26       1.3457      2.00000
     27       1.4393      2.00000
     28       1.5428      2.00000
     29       1.6096      2.00000
     30       1.6267      2.00000
     31       1.7035      2.00000
     32       1.8997      2.00000
     33       1.9749      2.00000
     34       2.0224      2.00000
     35       2.0891      2.00000
     36       2.2153      2.00000
     37       2.2576      2.00000
     38       2.3374      2.00000
     39       2.3425      2.00000
     40       2.4677      2.00000
     41       2.4725      2.00000
     42       2.6216      2.00000
     43       2.6728      2.00000
     44       2.7466      2.00000
     45       2.7699      2.00000
     46       2.8366      2.00000
     47       2.9543      2.00000
     48       3.0125      2.00000
     49       3.1071      2.00000
     50       3.1680      2.00000
     51       3.2016      2.00000
     52       3.2915      2.00000
     53       3.3749      2.00000
     54       3.6160      2.00000
     55       3.7884      2.00000
     56       3.8136      2.00000
     57       4.6282      2.00000
     58       5.2001      2.00000
     59       5.7588      2.07067
     60       6.0673      0.53282
     61       6.4600     -0.00651
     62       6.9041     -0.00000
     63       7.2351     -0.00000
     64       7.9027     -0.00000
     65       8.9103     -0.00000
     66       8.9368     -0.00000
     67       9.3172     -0.00000
     68       9.9373     -0.00000
     69      10.0574     -0.00000
     70      11.6361      0.00000
     71      11.9550      0.00000
     72      12.0775      0.00000
     73      12.2055      0.00000
     74      12.4748      0.00000
     75      12.9457      0.00000
     76      13.3125      0.00000
     77      13.6046      0.00000
     78      13.7857      0.00000
     79      13.9796      0.00000
     80      14.5207      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.164  -0.002   0.001  -0.002  -0.000  -5.374  -0.002
 -0.000  -0.002  -5.167  -0.001  -0.006  -0.000  -0.002  -5.378
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.002  -0.006   0.001  -5.152  -0.000  -0.002  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.002   0.001  -0.002  -0.000  -5.567  -0.002
 -0.000  -0.002  -5.378  -0.001  -0.006  -0.000  -0.002  -5.571
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.002  -0.006   0.001  -5.363  -0.000  -0.002  -0.006
 -0.000   0.002   0.001   0.000   0.001  -0.000   0.002   0.001
 -0.001   0.002   0.001   0.000   0.002  -0.001   0.002   0.001
 -0.000   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.002  -0.000   0.000   0.000  -0.002   0.002
 -0.000   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 -0.000   0.001   0.001   0.000   0.002  -0.000   0.001   0.001
  0.000  -0.002   0.002  -0.001   0.000   0.000  -0.002   0.002
 -0.001   0.000   0.000   0.001  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.013   0.009   0.031   0.012   0.009  -1.163  -0.013  -0.026  -0.050  -0.015   0.020  -0.005  -0.012   0.007   0.356  -0.000
  0.009   3.067  -0.255   0.021  -0.215  -0.013  -1.055   0.214  -0.012   0.170  -0.085   0.019  -0.004   0.167   0.008   0.001
  0.031  -0.255   2.626   0.009  -0.294  -0.026   0.214  -0.678  -0.018   0.219   0.087  -0.037  -0.111  -0.021  -0.003   0.006
  0.012   0.021   0.009   2.937   0.013  -0.050  -0.012  -0.018  -1.095  -0.006  -0.022   0.004   0.010   0.004  -0.008  -0.000
  0.009  -0.215  -0.294   0.013   3.082  -0.015   0.170   0.219  -0.006  -1.019  -0.137   0.065   0.050  -0.001   0.018   0.008
 -1.163  -0.013  -0.026  -0.050  -0.015   1.219   0.017   0.022   0.084   0.019  -0.017   0.005   0.011  -0.006  -0.288  -0.000
 -0.013  -1.055   0.214  -0.012   0.170   0.017   0.976  -0.174   0.004  -0.126   0.079  -0.022  -0.007  -0.133  -0.007   0.000
 -0.026   0.214  -0.678  -0.018   0.219   0.022  -0.174   0.667   0.024  -0.154  -0.095   0.048   0.084   0.025   0.001  -0.002
 -0.050  -0.012  -0.018  -1.095  -0.006   0.084   0.004   0.024   1.152   0.002   0.021  -0.005  -0.009  -0.003   0.000   0.000
 -0.015   0.170   0.219  -0.006  -1.019   0.019  -0.126  -0.154   0.002   0.911   0.128  -0.070  -0.052   0.002  -0.015  -0.000
  0.020  -0.085   0.087  -0.022  -0.137  -0.017   0.079  -0.095   0.021   0.128   2.091  -0.309  -0.039  -0.002   0.001   0.002
 -0.005   0.019  -0.037   0.004   0.065   0.005  -0.022   0.048  -0.005  -0.070  -0.309   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.004  -0.111   0.010   0.050   0.011  -0.007   0.084  -0.009  -0.052  -0.039   0.059   0.132   0.008  -0.001  -0.003
  0.007   0.167  -0.021   0.004  -0.001  -0.006  -0.133   0.025  -0.003   0.002  -0.002  -0.004   0.008   0.125   0.002  -0.000
  0.356   0.008  -0.003  -0.008   0.018  -0.288  -0.007   0.001   0.000  -0.015   0.001   0.002  -0.001   0.002   0.157   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.003  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.70
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.81: real time    3.82
    STRESS:  cpu time    6.64: real time    6.67
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.43109   469.43109   469.43109
  Ewald   -2486.72154 -3159.13891 -2719.04600   -23.10845    -9.36950    15.17542
  Hartree   836.71958   356.02886   670.61594   -14.88583     5.90440     8.78803
  E(xc)    -540.92826  -541.58644  -541.07616    -0.03157    -0.12299     0.02369
  Local    -567.78174   582.87989  -169.60481    37.34611     2.44805   -23.20569
  n-local  -103.25841  -100.07083  -101.94279     0.36832     0.78781    -0.31134
  augment   723.73516   723.28237   723.25933     0.05767     0.11565    -0.11980
  Kinetic  1668.71305  1669.25021  1668.36856     0.26176     0.61594    -0.29594
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.09107     0.07624     0.00516     0.00799     0.37936     0.05437
  in kB      -0.56699     0.47467     0.03213     0.04974     2.36176     0.33847
  external pressure =       -0.02 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.35
      direct lattice vectors                 reciprocal lattice vectors
     4.111305816 -0.099690501  0.138124897     0.242944805  0.101438908  0.081752863
    -3.916618022  8.704818050  0.838071712     0.002680438  0.115724873  0.003739876
    -2.337102341 -0.177428884  7.165315639    -0.004996727 -0.015490871  0.137547829

  length of vectors
     4.114833192  9.582072751  7.538917466     0.275672924  0.115816310  0.138507544


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.340E+01 -.154E+03 0.258E+02   0.356E+01 0.157E+03 -.262E+02   -.165E+00 -.282E+01 0.396E+00   -.956E-05 0.216E-03 -.135E-03
   0.340E+01 0.154E+03 -.258E+02   -.357E+01 -.157E+03 0.262E+02   0.166E+00 0.282E+01 -.396E+00   0.124E-04 -.219E-03 0.135E-03
   0.316E+01 0.144E+03 0.772E+01   -.327E+01 -.146E+03 -.752E+01   0.978E-01 0.130E+01 -.206E+00   -.202E-04 -.317E-03 -.448E-04
   0.368E+00 -.640E+02 -.413E+02   -.338E+00 0.636E+02 0.421E+02   -.372E-01 0.343E+00 -.838E+00   -.269E-04 0.120E-03 0.811E-04
   0.576E+01 0.960E+02 -.956E+02   -.584E+01 -.973E+02 0.970E+02   0.893E-01 0.127E+01 -.140E+01   0.196E-04 -.256E-03 0.232E-04
   0.354E-01 -.601E-02 -.119E-01   -.352E-01 0.534E-02 0.122E-01   -.670E-03 0.757E-03 -.292E-03   -.141E-05 -.798E-06 0.102E-05
   -.576E+01 -.959E+02 0.956E+02   0.585E+01 0.972E+02 -.970E+02   -.893E-01 -.127E+01 0.140E+01   -.218E-04 0.256E-03 -.217E-04
   -.322E+01 -.144E+03 -.773E+01   0.332E+01 0.146E+03 0.752E+01   -.953E-01 -.131E+01 0.207E+00   0.219E-04 0.312E-03 0.429E-04
   -.413E+00 0.640E+02 0.414E+02   0.382E+00 -.636E+02 -.422E+02   0.389E-01 -.342E+00 0.838E+00   0.286E-04 -.118E-03 -.808E-04
   0.962E-02 -.941E-02 -.125E-02   -.926E-02 0.919E-02 0.120E-02   -.581E-03 0.692E-03 0.688E-04   -.165E-06 0.307E-06 -.301E-06
   0.918E+00 0.891E+01 -.277E+02   -.922E+00 -.876E+01 0.276E+02   0.169E-02 -.148E+00 0.636E-01   -.249E-05 0.263E-04 0.713E-05
   -.889E+00 -.894E+01 0.277E+02   0.894E+00 0.878E+01 -.276E+02   -.322E-02 0.150E+00 -.635E-01   0.180E-05 -.250E-04 -.783E-05
   0.774E+00 -.813E+01 -.210E+02   -.735E+00 0.817E+01 0.207E+02   -.402E-01 -.375E-01 0.258E+00   0.471E-05 0.193E-04 0.107E-04
   -.155E+01 -.612E+02 0.317E+01   0.155E+01 0.611E+02 -.347E+01   -.916E-04 0.793E-01 0.295E+00   0.878E-06 0.480E-04 0.166E-04
   -.749E+00 0.808E+01 0.210E+02   0.710E+00 -.812E+01 -.207E+02   0.384E-01 0.395E-01 -.257E+00   -.595E-05 -.167E-04 -.102E-04
   0.156E+01 0.612E+02 -.318E+01   -.156E+01 -.611E+02 0.347E+01   -.380E-03 -.798E-01 -.295E+00   -.118E-05 -.490E-04 -.163E-04
 -----------------------------------------------------------------------------------------------
   -.476E-03 0.100E-02 0.223E-03   -.173E-13 0.639E-13 0.266E-13   0.328E-03 0.256E-03 0.415E-03   0.167E-06 -.349E-05 0.238E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.08454      6.26136      7.84228        -0.000062     -0.004334      0.003423
     -2.91921      8.06248      4.45814         0.000286      0.003740     -0.003601
     -1.05158      1.10728      4.61530        -0.003111      0.001842     -0.005316
     -2.90675      5.19202      2.36916        -0.007585      0.002495     -0.012945
      1.19272      1.82250      0.29440         0.006694     -0.000699     -0.008564
     -3.09918      2.85937      5.66209        -0.000522      0.000001     -0.000044
     -0.94270      3.97399      4.00259        -0.006507     -0.000768      0.009294
     -1.03575      4.51184      6.84692         0.004631     -0.002570      0.005257
      3.15665      0.60358      1.92772         0.008500     -0.002198      0.012180
     -5.05731      7.21171      6.08107        -0.000214      0.000390     -0.000026
     -0.84905      3.60512      1.22852        -0.002857      0.005846      0.000989
      1.09933      2.19034      3.06862         0.001883     -0.004341     -0.001245
     -0.85117      6.63932      3.39414        -0.000416      0.004506     -0.001265
     -3.00680      5.45220      5.10038        -0.000134     -0.001512      0.001343
     -2.81510      7.86117      1.74080        -0.000581     -0.002994      0.001672
      0.91982      0.16700      6.36184        -0.000005      0.000596     -0.001151
 -----------------------------------------------------------------------------------
    total drift:                               -0.000148      0.001257      0.000638


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87318290 eV

  energy  without entropy=      -49.87673717  energy(sigma->0) =      -49.87436766
 
 d Force = 0.4369126E-04[ 0.417E-04, 0.457E-04]  d Energy = 0.1288149E-02-0.124E-02
 d Force =-0.4476417E-01[-0.447E-01,-0.448E-01]  d Ewald  =-0.3192536E+01 0.315E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Steepest descent step on ions:
 trial-energy change:   -0.001288  1 .order   -0.001284   -0.001448   -0.001120
  (g-gl).g = 0.145E-02      g.g   = 0.145E-02  gl.gl    = 0.000E+00
 g(Force)  = 0.457E-04   g(Stress)= 0.140E-02 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   3.70495  (harmonic =   4.41174) maximal distance =0.00192155
 next E    =   -49.874774   (d E  =  -0.00288)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  160.97: real time  161.87


----------------------------------------- Iteration    3(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.90: real time   17.02
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.65: real time   18.78

 eigenvalue-minimisa     EDDAV:  cpu time   21.13: real time   21.23
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.90: real time   23.01

 eigenvalue-minimisations  : 10080
 total energy-change (2. order) :-0.1209104E-05  (-0.3228168E-06)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524193 magnetization 

 Broyden mixing:
  rms(total) = 0.26543E-03    rms(broyden)= 0.26520E-03
  rms(prec ) = 0.31042E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2596
  2.3299  1.0627  0.8229  0.8229

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.13914207
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46022417
  PAW double counting   =      9486.43402370    -9414.39906172
  entropy T*S    EENTRO =         0.00490202
  eigenvalues    EBANDS =      -338.66744415
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free e     EDDAV:  cpu time   17.56: real time   17.62
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.32: real time   19.38

 eigenvalue-minimisations  :  7888
 total energy-change (2. order) : 0.2522913E-01  (-0.6808036E-02)
 number of electron     120.0000054 magneti     EDDAV:  cpu time   15.67: real time   15.73
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.41: real time   17.49

 eigenvalue-minimisations  :  6704
 total energy-change (2. order) : 0.2502802E-06  (-0.2596601E-07)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524355 magnetization 

 Broyden mixing:
  rms(total) = 0.17268E-03    rms(broyden)= 0.17265E-03
  rms(prec ) = 0.18701E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4163
  2.3180  1.7289  1.1052  1.1052  0.8243

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.13916737
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46035520
  PAW double counting   =      9486.35354735    -9414.31742727
  entropy T*S    EENTRO =         0.00490233
  eigenvalues    EBANDS =      -338.66870806
  atomic energy  EATOM  =      9754.20957531
  ----------------------------     EDDAV:  cpu time   17.74: real time   17.80
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.48: real time   19.55

 eigenvalue-minimisations  :  7984
 total energy-change (2. order) : 0.3381919E-02  (-0.5090398E-03)
 number of electron     120.0000054 magnetization 
 augmentation part           EDDAV:  cpu time   13.37: real time   13.43
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.10: real time   15.17

 eigenvalue-minimisations  :  5216
 total energy-change (2. order) : 0.1111148E-06  (-0.6923984E-08)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524325 magnetization 

 Broyden mixing:
  rms(total) = 0.33092E-04    rms(broyden)= 0.33084E-04
  rms(prec ) = 0.37199E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4088
  2.3318  1.8821  1.4298  0.9767  0.9767  0.8556

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.14155317
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46052083
  PAW double counting   =      9486.32663709    -9414.28900791
  entropy T*S    EENTRO =         0.00490261
  eigenvalues    EBANDS =      -338.66799715
  atomic energy  EATOM  =      9754.2095753     EDDAV:  cpu time   17.80: real time   17.85
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.55: real time   19.61

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.1269698E-02  (-0.2050697E-03)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0616809 magnetization 

 Broyden mixing:
  rms(total) = 0.66737E-02    rms(broyden)= 0.66734E-02
  rms(prec ) = 0.74219E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4000
  2.1535  1.0233  1.0233

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.70717625
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.36492049
  PAW double counting   =      9473.65780558    -9401.42717627
  entropy T*S    EENTRO =         0.00466038
  eigenvalues    EBANDS =      -340.76153794
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87500719 eV

  energy without entropy =      -49.87966757  energy(sigma->0) =      -49.87656065
----------------
  free energy    TOTEN  =       -49.87768084 eV

  energy without entropy =      -49.88258345  energy(sigma->0) =      -49.87931504


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4581       2 -67.4581       3 -67.5463       4 -67.5081       5 -67.5374
       6 -67.5987       7 -67.5374       8 -67.5463       9 -67.5081      10 -58.8826
      11 -59.0088      12 -59.0088      13 -58.6999      14 -58.7484      15 -58.6999
      16 -58.7483
 
 
 
 E-fermi :   6.0180     XC(G=0): -10.7489     alpha+bet :-12.3656


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9230      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6550      2.00000
      5     -39.6547      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.9455      2.00000
      9      -0.6506      2.00000
     10      -0.1277      2.00000
     11       0.1681      2.00000
     12       0.2597      2.00000
     13       0.2910      2.00000
     14       0.4348      2.00000
     15       0.5333      2.00000
     16       0.6059      2.00000
     17       0.6317      2.00000
     18       0.6691      2.00000
     19       0.7429      2.00000
     20       0.8936      2.00000
     21       0.9402      2.00000
     22       1.0512      2.00000
     23       1.0975      2.00000
     24       1.1868      2.00000
     25       1.2191      2.00000
     26       1.2836      2.00000
     27       1.3133      2.00000
     28       1.5803      2.00000
     29       1.6513      2.00000
     30       1.7100      2.00000
     31       1.7392      2.00000
     32       1.7899      2.00000
     33       1.9199      2.00000
     34       1.9385      2.00000
     35       2.1487      2.00000
     36       2.1737      2.00000
     37       2.2733      2.00000
     38       2.3111      2.00000
     39       2.4460      2.00000
     40       2.5321      2.00000
     41       2.5852      2.00000
     42       2.6380      2.00000
     43       2.7229      2.00000
     44       2.8664      2.00000
     45       2.8735      2.00000
     46       2.9057      2.00000
     47       2.9986      2.00000
     48       3.0421      2.00000
     49       3.1012      2.00000
     50       3.1315      2.00000
     51       3.3282      2.00000
     52       3.3827      2.00000
     53       3.5004      2.00000
     54       3.5837      2.00000
     55       3.8920      2.00000
     56       4.0712      2.00000
     57       4.2294      2.00000
     58       4.2320      2.00000
     59       4.9486      2.00000
     60       5.6203      2.01662
     61       6.2791     -0.06912
     62       8.1961     -0.00000
     63       8.2929     -0.00000
     64       8.3237     -0.00000
     65       8.9339     -0.00000
     66       9.6712     -0.00000
     67      10.3842     -0.00000
     68      10.7404     -0.00000
     69      11.4791      0.00000
     70      11.7698      0.00000
     71      11.8243      0.00000
     72      12.0636      0.00000
     73      12.2713      0.00000
     74      12.3475      0.00000
     75      12.5138      0.00000
     76      12.7918      0.00000
     77      13.2959      0.00000
     78      13.6650      0.00000
     79      13.7925      0.00000
     80      14.6407      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6730      2.00000
      9      -0.5734      2.00000
     10      -0.2736      2.00000
     11       0.2603      2.00000
     12       0.2787      2.00000
     13       0.3872      2.00000
     14       0.4642      2.00000
     15       0.5986      2.00000
     16       0.6124      2.00000
     17       0.7303      2.00000
     18       0.8236      2.00000
     19       0.9097      2.00000
     20       0.9356      2.00000
     21       0.9731      2.00000
     22       1.0998      2.00000
     23       1.1164      2.00000
     24       1.1967      2.00000
     25       1.2484      2.00000
     26       1.3503      2.00000
     27       1.3801      2.00000
     28       1.4950      2.00000
     29       1.6256      2.00000
     30       1.6628      2.00000
     31       1.7522      2.00000
     32       1.8206      2.00000
     33       1.8537      2.00000
     34       2.0096      2.00000
     35       2.0313      2.00000
     36       2.1707      2.00000
     37       2.2526      2.00000
     38       2.3595      2.00000
     39       2.4543      2.00000
     40       2.5022      2.00000
     41       2.5632      2.00000
     42       2.6062      2.00000
     43       2.6835      2.00000
     44       2.7339      2.00000
     45       2.8024      2.00000
     46       2.8201      2.00000
     47       2.9232      2.00000
     48       3.0514      2.00000
     49       3.1133      2.00000
     50       3.1954      2.00000
     51       3.2379      2.00000
     52       3.2716      2.00000
     53       3.4173      2.00000
     54       3.6163      2.00000
     55       3.7116      2.00000
     56       3.8483      2.00000
     57       4.0955      2.00000
     58       4.5829      2.00000
     59       5.5104      2.00195
     60       6.2771     -0.06951
     61       6.7947     -0.00000
     62       7.1015     -0.00000
     63       7.7147     -0.00000
     64       8.1685     -0.00000
     65       8.5850     -0.00000
     66       8.7209     -0.00000
     67       9.6387     -0.00000
     68      10.2940     -0.00000
     69      10.6153     -0.00000
     70      10.6635     -0.00000
     71      11.1307     -0.00000
     72      11.7231      0.00000
     73      12.5541      0.00000
     74      12.9447      0.00000
     75      13.2301      0.00000
     76      13.2942      0.00000
     77      13.4798      0.00000
     78      13.8640      0.00000
     79      14.4506      0.00000
     80      14.7141      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0323      2.00000
      9      -0.4134      2.00000
     10      -0.1258      2.00000
     11       0.3207      2.00000
     12       0.4218      2.00000
     13       0.4991      2.00000
     14       0.5855      2.00000
     15       0.6465      2.00000
     16       0.7339      2.00000
     17       0.8382      2.00000
     18       0.9154      2.00000
     19       0.9957      2.00000
     20       1.0409      2.00000
     21       1.0748      2.00000
     22       1.1745      2.00000
     23       1.2281      2.00000
     24       1.2808      2.00000
     25       1.3113      2.00000
     26       1.3589      2.00000
     27       1.4542      2.00000
     28       1.5526      2.00000
     29       1.6041      2.00000
     30       1.7254      2.00000
     31       1.8112      2.00000
     32       1.8580      2.00000
     33       1.9578      2.00000
     34       2.0146      2.00000
     35       2.1090      2.00000
     36       2.1225      2.00000
     37       2.1870      2.00000
     38       2.2517      2.00000
     39       2.3064      2.00000
     40       2.4008      2.00000
     41       2.4884      2.00000
     42       2.5371      2.00000
     43       2.6549      2.00000
     44       2.6926      2.00000
     45       2.7443      2.00000
     46       2.7947      2.00000
     47       2.8396      2.00000
     48       2.9259      2.00000
     49       3.0128      2.00000
     50       3.0991      2.00000
     51       3.1425      2.00000
     52       3.2371      2.00000
     53       3.3626      2.00000
     54       3.4566      2.00000
     55       3.5796      2.00000
     56       3.8207      2.00000
     57       4.6141      2.00000
     58       5.0071      2.00000
     59       5.4460      2.00040
     60       5.7875      2.06913
     61       6.4808     -0.00510
     62       6.8364     -0.00000
     63       6.9837     -0.00000
     64       7.5282     -0.00000
     65       7.9950     -0.00000
     66       8.3433     -0.00000
     67       8.6917     -0.00000
     68       9.4233     -0.00000
     69       9.8037     -0.00000
     70      10.3548     -0.00000
     71      10.4756     -0.00000
     72      10.7901     -0.00000
     73      11.4098     -0.00000
     74      12.1871      0.00000
     75      13.1252      0.00000
     76      13.6872      0.00000
     77      13.7541      0.00000
     78      13.8810      0.00000
     79      14.2889      0.00000
     80      14.6905      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3906      2.00000
      9      -0.1099      2.00000
     10       0.0899      2.00000
     11       0.1632      2.00000
     12       0.4848      2.00000
     13       0.5087      2.00000
     14       0.5608      2.00000
     15       0.6343      2.00000
     16       0.8262      2.00000
     17       0.9180      2.00000
     18       0.9330      2.00000
     19       1.1120      2.00000
     20       1.1674      2.00000
     21       1.1832      2.00000
     22       1.2678      2.00000
     23       1.3705      2.00000
     24       1.3905      2.00000
     25       1.4066      2.00000
     26       1.4763      2.00000
     27       1.5163      2.00000
     28       1.6454      2.00000
     29       1.6834      2.00000
     30       1.7340      2.00000
     31       1.8021      2.00000
     32       1.9113      2.00000
     33       1.9542      2.00000
     34       2.0627      2.00000
     35       2.1456      2.00000
     36       2.1623      2.00000
     37       2.1836      2.00000
     38       2.2795      2.00000
     39       2.3147      2.00000
     40       2.3704      2.00000
     41       2.4631      2.00000
     42       2.4797      2.00000
     43       2.5490      2.00000
     44       2.6398      2.00000
     45       2.6726      2.00000
     46       2.7591      2.00000
     47       2.8019      2.00000
     48       2.8400      2.00000
     49       2.9226      2.00000
     50       3.0616      2.00000
     51       3.1632      2.00000
     52       3.2700      2.00000
     53       3.3646      2.00000
     54       3.5551      2.00000
     55       3.6402      2.00000
     56       3.8228      2.00000
     57       4.1482      2.00000
     58       4.2956      2.00000
     59       5.1354      2.00000
     60       5.8671      1.95470
     61       6.0500      0.73228
     62       6.1729      0.03341
     63       6.8178     -0.00000
     64       7.0778     -0.00000
     65       7.6701     -0.00000
     66       8.2197     -0.00000
     67       8.4856     -0.00000
     68       8.8324     -0.00000
     69       9.4841     -0.00000
     70       9.7736     -0.00000
     71      10.5269     -0.00000
     72      10.9671     -0.00000
     73      11.1420     -0.00000
     74      11.7832      0.00000
     75      12.2832      0.00000
     76      12.7611      0.00000
     77      13.4120      0.00000
     78      13.7779      0.00000
     79      13.9573      0.00000
     80      14.6464      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6035      2.00000
      8      -0.4451      2.00000
      9      -0.1797      2.00000
     10       0.0366      2.00000
     11       0.1371      2.00000
     12       0.5032      2.00000
     13       0.5263      2.00000
     14       0.7035      2.00000
     15       0.7414      2.00000
     16       0.8739      2.00000
     17       0.9134      2.00000
     18       0.9893      2.00000
     19       1.0669      2.00000
     20       1.0865      2.00000
     21       1.2402      2.00000
     22       1.2804      2.00000
     23       1.3283      2.00000
     24       1.3853      2.00000
     25       1.3940      2.00000
     26       1.4459      2.00000
     27       1.4926      2.00000
     28       1.6688      2.00000
     29       1.7017      2.00000
     30       1.7461      2.00000
     31       1.8032      2.00000
     32       1.8774      2.00000
     33       1.9057      2.00000
     34       2.0431      2.00000
     35       2.0813      2.00000
     36       2.1444      2.00000
     37       2.1612      2.00000
     38       2.2297      2.00000
     39       2.3382      2.00000
     40       2.4417      2.00000
     41       2.4638      2.00000
     42       2.5414      2.00000
     43       2.5836      2.00000
     44       2.6257      2.00000
     45       2.6776      2.00000
     46       2.7335      2.00000
     47       2.8080      2.00000
     48       2.8490      2.00000
     49       2.9097      2.00000
     50       3.0981      2.00000
     51       3.1810      2.00000
     52       3.2063      2.00000
     53       3.5186      2.00000
     54       3.5516      2.00000
     55       3.7427      2.00000
     56       4.2034      2.00000
     57       4.3931      2.00000
     58       4.5659      2.00000
     59       4.7233      2.00000
     60       5.1860      2.00000
     61       5.6164      2.01558
     62       6.0835      0.47717
     63       6.1007      0.36154
     64       7.1048     -0.00000
     65       8.2648     -0.00000
     66       8.3995     -0.00000
     67       8.9063     -0.00000
     68       9.1573     -0.00000
     69       9.2524     -0.00000
     70       9.9610     -0.00000
     71      10.4656     -0.00000
     72      10.6006     -0.00000
     73      11.3554     -0.00000
     74      11.9176      0.00000
     75      12.5763      0.00000
     76      13.1626      0.00000
     77      13.5197      0.00000
     78      13.8749      0.00000
     79      14.1303      0.00000
     80      14.4539      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1629      2.00000
      9      -0.4811      2.00000
     10       0.0240      2.00000
     11       0.1480      2.00000
     12       0.5194      2.00000
     13       0.5878      2.00000
     14       0.6489      2.00000
     15       0.6875      2.00000
     16       0.8193      2.00000
     17       0.8354      2.00000
     18       0.8703      2.00000
     19       0.9583      2.00000
     20       1.0874      2.00000
     21       1.1299      2.00000
     22       1.1856      2.00000
     23       1.2092      2.00000
     24       1.3058      2.00000
     25       1.3390      2.00000
     26       1.3945      2.00000
     27       1.4443      2.00000
     28       1.4774      2.00000
     29       1.6377      2.00000
     30       1.7367      2.00000
     31       1.7608      2.00000
     32       1.8389      2.00000
     33       1.9006      2.00000
     34       1.9593      2.00000
     35       2.0564      2.00000
     36       2.1594      2.00000
     37       2.2243      2.00000
     38       2.2957      2.00000
     39       2.3608      2.00000
     40       2.4389      2.00000
     41       2.5178      2.00000
     42       2.5563      2.00000
     43       2.6036      2.00000
     44       2.6574      2.00000
     45       2.7686      2.00000
     46       2.7928      2.00000
     47       2.8761      2.00000
     48       2.8882      2.00000
     49       3.0459      2.00000
     50       3.0906      2.00000
     51       3.1365      2.00000
     52       3.2109      2.00000
     53       3.3206      2.00000
     54       3.5297      2.00000
     55       3.6993      2.00000
     56       4.0993      2.00000
     57       4.4553      2.00000
     58       4.8462      2.00000
     59       5.4953      2.00138
     60       5.7015      2.04777
     61       6.0826      0.48334
     62       6.3632     -0.03486
     63       6.9703     -0.00000
     64       7.1841     -0.00000
     65       7.5822     -0.00000
     66       8.2205     -0.00000
     67       8.9833     -0.00000
     68       9.2529     -0.00000
     69      10.2374     -0.00000
     70      11.0385     -0.00000
     71      11.3185     -0.00000
     72      11.6837      0.00000
     73      12.1225      0.00000
     74      12.3682      0.00000
     75      12.7896      0.00000
     76      13.4248      0.00000
     77      13.6314      0.00000
     78      13.9012      0.00000
     79      14.2908      0.00000
     80      14.4142      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.7572      2.00000
      9      -0.6357      2.00000
     10       0.0411      2.00000
     11       0.1784      2.00000
     12       0.3281      2.00000
     13       0.3374      2.00000
     14       0.4036      2.00000
     15       0.6249      2.00000
     16       0.6438      2.00000
     17       0.7338      2.00000
     18       0.8127      2.00000
     19       0.8847      2.00000
     20       0.9081      2.00000
     21       1.0598      2.00000
     22       1.0659      2.00000
     23       1.1501      2.00000
     24       1.2177      2.00000
     25       1.2772      2.00000
     26       1.3014      2.00000
     27       1.3324      2.00000
     28       1.4613      2.00000
     29       1.6624      2.00000
     30       1.6806      2.00000
     31       1.7690      2.00000
     32       1.8287      2.00000
     33       1.8998      2.00000
     34       1.9230      2.00000
     35       2.0790      2.00000
     36       2.1538      2.00000
     37       2.2823      2.00000
     38       2.3319      2.00000
     39       2.3811      2.00000
     40       2.4852      2.00000
     41       2.5203      2.00000
     42       2.6173      2.00000
     43       2.7387      2.00000
     44       2.7954      2.00000
     45       2.8246      2.00000
     46       2.8710      2.00000
     47       2.9332      2.00000
     48       3.0232      2.00000
     49       3.0915      2.00000
     50       3.1244      2.00000
     51       3.2092      2.00000
     52       3.2654      2.00000
     53       3.4359      2.00000
     54       3.6779      2.00000
     55       3.7910      2.00000
     56       3.9468      2.00000
     57       4.1215      2.00000
     58       4.8572      2.00000
     59       5.0456      2.00000
     60       5.5614      2.00578
     61       6.7208     -0.00001
     62       7.1753     -0.00000
     63       7.7279     -0.00000
     64       8.2282     -0.00000
     65       8.7056     -0.00000
     66       8.9811     -0.00000
     67       9.3887     -0.00000
     68      10.1907     -0.00000
     69      10.7662     -0.00000
     70      10.8258     -0.00000
     71      11.4136     -0.00000
     72      12.4742      0.00000
     73      12.8977      0.00000
     74      13.0719      0.00000
     75      13.2710      0.00000
     76      13.4428      0.00000
     77      13.8115      0.00000
     78      13.8797      0.00000
     79      14.3106      0.00000
     80      14.4215      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9230      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.8649      2.00000
      9      -0.8979      2.00000
     10      -0.0318      2.00000
     11       0.1613      2.00000
     12       0.2075      2.00000
     13       0.2930      2.00000
     14       0.4279      2.00000
     15       0.5813      2.00000
     16       0.6103      2.00000
     17       0.6214      2.00000
     18       0.6868      2.00000
     19       0.7728      2.00000
     20       0.8418      2.00000
     21       0.9338      2.00000
     22       1.0377      2.00000
     23       1.0771      2.00000
     24       1.2492      2.00000
     25       1.2983      2.00000
     26       1.3948      2.00000
     27       1.4192      2.00000
     28       1.5884      2.00000
     29       1.6072      2.00000
     30       1.6459      2.00000
     31       1.7012      2.00000
     32       1.8028      2.00000
     33       1.8841      2.00000
     34       1.9419      2.00000
     35       2.1648      2.00000
     36       2.2228      2.00000
     37       2.2289      2.00000
     38       2.2921      2.00000
     39       2.4416      2.00000
     40       2.4992      2.00000
     41       2.6191      2.00000
     42       2.6591      2.00000
     43       2.6675      2.00000
     44       2.8167      2.00000
     45       2.8386      2.00000
     46       2.8824      2.00000
     47       2.9059      2.00000
     48       3.0582      2.00000
     49       3.1074      2.00000
     50       3.1479      2.00000
     51       3.3202      2.00000
     52       3.3645      2.00000
     53       3.4562      2.00000
     54       3.6324      2.00000
     55       3.9563      2.00000
     56       4.2218      2.00000
     57       4.2310      2.00000
     58       4.3463      2.00000
     59       4.8913      2.00000
     60       6.2800     -0.06892
     61       6.4890     -0.00431
     62       6.9216     -0.00000
     63       7.2048     -0.00000
     64       8.8176     -0.00000
     65       9.5527     -0.00000
     66       9.7069     -0.00000
     67       9.8988     -0.00000
     68      10.9843     -0.00000
     69      11.1976     -0.00000
     70      11.2897     -0.00000
     71      11.4573     -0.00000
     72      12.3125      0.00000
     73      12.6939      0.00000
     74      13.1359      0.00000
     75      13.3982      0.00000
     76      13.5257      0.00000
     77      13.8214      0.00000
     78      13.9894      0.00000
     79      14.2717      0.00000
     80      14.5279      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.5843      2.00000
      9      -0.8177      2.00000
     10      -0.1482      2.00000
     11       0.2249      2.00000
     12       0.2632      2.00000
     13       0.4225      2.00000
     14       0.5020      2.00000
     15       0.5743      2.00000
     16       0.6190      2.00000
     17       0.6863      2.00000
     18       0.7851      2.00000
     19       0.8859      2.00000
     20       0.9579      2.00000
     21       0.9819      2.00000
     22       1.0517      2.00000
     23       1.1540      2.00000
     24       1.2151      2.00000
     25       1.2934      2.00000
     26       1.3688      2.00000
     27       1.3996      2.00000
     28       1.5295      2.00000
     29       1.5622      2.00000
     30       1.6179      2.00000
     31       1.6695      2.00000
     32       1.8865      2.00000
     33       1.9658      2.00000
     34       2.0182      2.00000
     35       2.1579      2.00000
     36       2.1841      2.00000
     37       2.2655      2.00000
     38       2.3141      2.00000
     39       2.3620      2.00000
     40       2.3860      2.00000
     41       2.4461      2.00000
     42       2.6525      2.00000
     43       2.6688      2.00000
     44       2.7733      2.00000
     45       2.7900      2.00000
     46       2.8394      2.00000
     47       2.9817      2.00000
     48       3.0082      2.00000
     49       3.1153      2.00000
     50       3.1771      2.00000
     51       3.1867      2.00000
     52       3.3052      2.00000
     53       3.4562      2.00000
     54       3.6456      2.00000
     55       3.7000      2.00000
     56       3.8884      2.00000
     57       4.4353      2.00000
     58       4.9013      2.00000
     59       5.5418      2.00388
     60       5.8542      1.98943
     61       6.5061     -0.00300
     62       7.0387     -0.00000
     63       7.5233     -0.00000
     64       8.0687     -0.00000
     65       8.3159     -0.00000
     66       8.9203     -0.00000
     67       9.4003     -0.00000
     68       9.6678     -0.00000
     69      10.4619     -0.00000
     70      12.0043      0.00000
     71      12.3057      0.00000
     72      12.3953      0.00000
     73      12.5541      0.00000
     74      12.7221      0.00000
     75      12.8523      0.00000
     76      13.3205      0.00000
     77      13.6030      0.00000
     78      13.9185      0.00000
     79      14.0038      0.00000
     80      14.4183      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0282      2.00000
      9      -0.3863      2.00000
     10      -0.1350      2.00000
     11       0.3198      2.00000
     12       0.3973      2.00000
     13       0.4938      2.00000
     14       0.5318      2.00000
     15       0.6715      2.00000
     16       0.7785      2.00000
     17       0.8124      2.00000
     18       0.9313      2.00000
     19       0.9398      2.00000
     20       1.0248      2.00000
     21       1.0723      2.00000
     22       1.1627      2.00000
     23       1.2168      2.00000
     24       1.3052      2.00000
     25       1.3511      2.00000
     26       1.4107      2.00000
     27       1.4760      2.00000
     28       1.5460      2.00000
     29       1.6111      2.00000
     30       1.7502      2.00000
     31       1.8231      2.00000
     32       1.8848      2.00000
     33       1.9220      2.00000
     34       1.9866      2.00000
     35       2.0377      2.00000
     36       2.0803      2.00000
     37       2.1348      2.00000
     38       2.2127      2.00000
     39       2.3095      2.00000
     40       2.4626      2.00000
     41       2.5001      2.00000
     42       2.5623      2.00000
     43       2.6198      2.00000
     44       2.6804      2.00000
     45       2.7946      2.00000
     46       2.8217      2.00000
     47       2.8735      2.00000
     48       2.9219      2.00000
     49       2.9716      2.00000
     50       3.0819      2.00000
     51       3.1693      2.00000
     52       3.2465      2.00000
     53       3.2824      2.00000
     54       3.4687      2.00000
     55       3.6062      2.00000
     56       4.0056      2.00000
     57       4.4730      2.00000
     58       5.2568      2.00000
     59       5.6781      2.03716
     60       5.9000      1.83067
     61       6.2901     -0.06620
     62       6.5234     -0.00205
     63       6.6978     -0.00002
     64       7.4410     -0.00000
     65       7.6870     -0.00000
     66       8.1027     -0.00000
     67       9.1357     -0.00000
     68       9.8221     -0.00000
     69       9.9506     -0.00000
     70      10.1213     -0.00000
     71      11.0988     -0.00000
     72      11.1858     -0.00000
     73      11.7643      0.00000
     74      12.0699      0.00000
     75      12.4186      0.00000
     76      12.7691      0.00000
     77      13.2882      0.00000
     78      13.6704      0.00000
     79      14.0653      0.00000
     80      14.4123      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3911      2.00000
      9      -0.0876      2.00000
     10       0.0685      2.00000
     11       0.1447      2.00000
     12       0.4146      2.00000
     13       0.5167      2.00000
     14       0.6049      2.00000
     15       0.7133      2.00000
     16       0.8506      2.00000
     17       0.9033      2.00000
     18       0.9132      2.00000
     19       1.0941      2.00000
     20       1.1501      2.00000
     21       1.1818      2.00000
     22       1.2449      2.00000
     23       1.3137      2.00000
     24       1.3981      2.00000
     25       1.4593      2.00000
     26       1.4911      2.00000
     27       1.5950      2.00000
     28       1.6668      2.00000
     29       1.7099      2.00000
     30       1.7300      2.00000
     31       1.8347      2.00000
     32       1.8774      2.00000
     33       1.9583      2.00000
     34       1.9797      2.00000
     35       2.0709      2.00000
     36       2.1201      2.00000
     37       2.2323      2.00000
     38       2.3001      2.00000
     39       2.3467      2.00000
     40       2.3871      2.00000
     41       2.4547      2.00000
     42       2.5107      2.00000
     43       2.5250      2.00000
     44       2.6243      2.00000
     45       2.6900      2.00000
     46       2.7291      2.00000
     47       2.7922      2.00000
     48       2.8437      2.00000
     49       2.8708      2.00000
     50       3.0681      2.00000
     51       3.1393      2.00000
     52       3.2685      2.00000
     53       3.3250      2.00000
     54       3.4796      2.00000
     55       3.5866      2.00000
     56       3.7320      2.00000
     57       4.4120      2.00000
     58       4.7729      2.00000
     59       5.1254      2.00000
     60       5.6607      2.02992
     61       5.9434      1.58486
     62       6.2113     -0.04266
     63       6.5167     -0.00238
     64       6.7323     -0.00001
     65       7.7441     -0.00000
     66       8.0514     -0.00000
     67       8.5165     -0.00000
     68       9.3053     -0.00000
     69       9.7434     -0.00000
     70      10.1802     -0.00000
     71      10.8569     -0.00000
     72      10.9697     -0.00000
     73      11.3723     -0.00000
     74      11.5897      0.00000
     75      12.1282      0.00000
     76      12.4590      0.00000
     77      13.1186      0.00000
     78      13.4190      0.00000
     79      14.0176      0.00000
     80      14.2809      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6035      2.00000
      8      -0.4419      2.00000
      9      -0.1559      2.00000
     10      -0.0397      2.00000
     11       0.1358      2.00000
     12       0.5472      2.00000
     13       0.6649      2.00000
     14       0.6994      2.00000
     15       0.7284      2.00000
     16       0.7966      2.00000
     17       0.8831      2.00000
     18       0.9532      2.00000
     19       1.0821      2.00000
     20       1.1047      2.00000
     21       1.1361      2.00000
     22       1.2610      2.00000
     23       1.3347      2.00000
     24       1.3663      2.00000
     25       1.3896      2.00000
     26       1.5408      2.00000
     27       1.5827      2.00000
     28       1.6671      2.00000
     29       1.7139      2.00000
     30       1.7623      2.00000
     31       1.8141      2.00000
     32       1.8554      2.00000
     33       1.9599      2.00000
     34       1.9996      2.00000
     35       2.0913      2.00000
     36       2.1594      2.00000
     37       2.2388      2.00000
     38       2.3248      2.00000
     39       2.3377      2.00000
     40       2.4474      2.00000
     41       2.4670      2.00000
     42       2.4942      2.00000
     43       2.5193      2.00000
     44       2.5637      2.00000
     45       2.5792      2.00000
     46       2.7217      2.00000
     47       2.7564      2.00000
     48       2.8118      2.00000
     49       2.8803      2.00000
     50       3.1249      2.00000
     51       3.1606      2.00000
     52       3.2866      2.00000
     53       3.5087      2.00000
     54       3.5710      2.00000
     55       3.6447      2.00000
     56       4.0682      2.00000
     57       4.4083      2.00000
     58       4.5145      2.00000
     59       5.0063      2.00000
     60       5.1471      2.00000
     61       5.8138      2.05431
     62       6.1409      0.14716
     63       6.5079     -0.00289
     64       7.1539     -0.00000
     65       7.2571     -0.00000
     66       7.7659     -0.00000
     67       8.3262     -0.00000
     68       9.5490     -0.00000
     69       9.9815     -0.00000
     70      10.5783     -0.00000
     71      11.0010     -0.00000
     72      11.2550     -0.00000
     73      11.7940      0.00000
     74      12.0326      0.00000
     75      12.2589      0.00000
     76      12.8747      0.00000
     77      13.1415      0.00000
     78      13.3145      0.00000
     79      14.1359      0.00000
     80      14.3267      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.2087      2.00000
      9      -0.3455      2.00000
     10      -0.0781      2.00000
     11       0.1055      2.00000
     12       0.5478      2.00000
     13       0.5723      2.00000
     14       0.6368      2.00000
     15       0.7126      2.00000
     16       0.8439      2.00000
     17       0.8760      2.00000
     18       0.9441      2.00000
     19       1.0054      2.00000
     20       1.0824      2.00000
     21       1.1106      2.00000
     22       1.1723      2.00000
     23       1.2435      2.00000
     24       1.2613      2.00000
     25       1.3197      2.00000
     26       1.3846      2.00000
     27       1.3922      2.00000
     28       1.5489      2.00000
     29       1.6739      2.00000
     30       1.6990      2.00000
     31       1.8120      2.00000
     32       1.8831      2.00000
     33       1.9290      2.00000
     34       2.0043      2.00000
     35       2.0185      2.00000
     36       2.0543      2.00000
     37       2.1587      2.00000
     38       2.2032      2.00000
     39       2.3965      2.00000
     40       2.4377      2.00000
     41       2.4914      2.00000
     42       2.5388      2.00000
     43       2.6140      2.00000
     44       2.6588      2.00000
     45       2.7675      2.00000
     46       2.8535      2.00000
     47       2.8831      2.00000
     48       2.9203      2.00000
     49       3.0204      2.00000
     50       3.0533      2.00000
     51       3.1020      2.00000
     52       3.1891      2.00000
     53       3.2825      2.00000
     54       3.5259      2.00000
     55       3.6509      2.00000
     56       4.0016      2.00000
     57       4.3342      2.00000
     58       5.3228      2.00001
     59       5.4747      2.00084
     60       5.6665      2.03227
     61       5.8399      2.01938
     62       6.6329     -0.00012
     63       6.9544     -0.00000
     64       7.4521     -0.00000
     65       7.8304     -0.00000
     66       7.8966     -0.00000
     67       8.4550     -0.00000
     68       9.7045     -0.00000
     69       9.9864     -0.00000
     70      10.4177     -0.00000
     71      11.7489      0.00000
     72      12.2453      0.00000
     73      12.5557      0.00000
     74      12.8843      0.00000
     75      13.0865      0.00000
     76      13.3892      0.00000
     77      13.4543      0.00000
     78      13.5410      0.00000
     79      13.8822      0.00000
     80      14.1038      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.7444      2.00000
      9      -0.6710      2.00000
     10       0.0114      2.00000
     11       0.2316      2.00000
     12       0.3179      2.00000
     13       0.3412      2.00000
     14       0.4023      2.00000
     15       0.6261      2.00000
     16       0.6396      2.00000
     17       0.7181      2.00000
     18       0.8107      2.00000
     19       0.8761      2.00000
     20       0.9563      2.00000
     21       1.0183      2.00000
     22       1.0850      2.00000
     23       1.1519      2.00000
     24       1.2281      2.00000
     25       1.2595      2.00000
     26       1.3331      2.00000
     27       1.3992      2.00000
     28       1.4384      2.00000
     29       1.6037      2.00000
     30       1.6790      2.00000
     31       1.7222      2.00000
     32       1.8220      2.00000
     33       1.8751      2.00000
     34       1.9551      2.00000
     35       2.1291      2.00000
     36       2.1927      2.00000
     37       2.2545      2.00000
     38       2.3079      2.00000
     39       2.3965      2.00000
     40       2.5126      2.00000
     41       2.5364      2.00000
     42       2.6090      2.00000
     43       2.7202      2.00000
     44       2.7582      2.00000
     45       2.8010      2.00000
     46       2.8823      2.00000
     47       2.9634      2.00000
     48       2.9955      2.00000
     49       3.1177      2.00000
     50       3.1573      2.00000
     51       3.2088      2.00000
     52       3.2864      2.00000
     53       3.4326      2.00000
     54       3.6290      2.00000
     55       3.7784      2.00000
     56       3.9502      2.00000
     57       4.1557      2.00000
     58       4.5078      2.00000
     59       5.2768      2.00000
     60       6.0555      0.68821
     61       6.5830     -0.00048
     62       6.9919     -0.00000
     63       7.7945     -0.00000
     64       8.0703     -0.00000
     65       8.3341     -0.00000
     66       8.7188     -0.00000
     67       9.6830     -0.00000
     68      10.4545     -0.00000
     69      10.9101     -0.00000
     70      11.0298     -0.00000
     71      11.3060     -0.00000
     72      12.5042      0.00000
     73      12.8817      0.00000
     74      13.0349      0.00000
     75      13.1634      0.00000
     76      13.5013      0.00000
     77      13.5896      0.00000
     78      13.9422      0.00000
     79      14.3520      0.00000
     80      14.4782      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.8573      2.00000
      9      -0.9342      2.00000
     10       0.0382      2.00000
     11       0.1691      2.00000
     12       0.2042      2.00000
     13       0.2875      2.00000
     14       0.4211      2.00000
     15       0.5928      2.00000
     16       0.6105      2.00000
     17       0.6216      2.00000
     18       0.6890      2.00000
     19       0.7214      2.00000
     20       0.8408      2.00000
     21       0.9476      2.00000
     22       1.0864      2.00000
     23       1.1021      2.00000
     24       1.1996      2.00000
     25       1.2689      2.00000
     26       1.3514      2.00000
     27       1.3656      2.00000
     28       1.5489      2.00000
     29       1.6490      2.00000
     30       1.6910      2.00000
     31       1.7081      2.00000
     32       1.7988      2.00000
     33       1.8652      2.00000
     34       1.8954      2.00000
     35       2.1228      2.00000
     36       2.2159      2.00000
     37       2.2521      2.00000
     38       2.3844      2.00000
     39       2.4319      2.00000
     40       2.5248      2.00000
     41       2.5895      2.00000
     42       2.6196      2.00000
     43       2.6773      2.00000
     44       2.8454      2.00000
     45       2.8681      2.00000
     46       2.9833      2.00000
     47       3.0462      2.00000
     48       3.0535      2.00000
     49       3.1263      2.00000
     50       3.1874      2.00000
     51       3.2755      2.00000
     52       3.3129      2.00000
     53       3.5395      2.00000
     54       3.6469      2.00000
     55       3.9162      2.00000
     56       3.9392      2.00000
     57       4.2158      2.00000
     58       4.4067      2.00000
     59       5.0010      2.00000
     60       5.5984      2.01151
     61       6.2225     -0.05469
     62       7.7479     -0.00000
     63       8.1773     -0.00000
     64       8.6155     -0.00000
     65       8.6427     -0.00000
     66       9.7764     -0.00000
     67      10.3941     -0.00000
     68      10.5958     -0.00000
     69      10.8098     -0.00000
     70      11.2498     -0.00000
     71      11.7419      0.00000
     72      12.4688      0.00000
     73      12.7310      0.00000
     74      12.8280      0.00000
     75      13.1419      0.00000
     76      13.2470      0.00000
     77      13.6932      0.00000
     78      14.4251      0.00000
     79      14.4886      0.00000
     80      14.5541      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6559      2.00000
      9      -0.6529      2.00000
     10      -0.2077      2.00000
     11       0.2442      2.00000
     12       0.2905      2.00000
     13       0.4334      2.00000
     14       0.4376      2.00000
     15       0.5889      2.00000
     16       0.6318      2.00000
     17       0.7244      2.00000
     18       0.7804      2.00000
     19       0.8735      2.00000
     20       0.9376      2.00000
     21       0.9829      2.00000
     22       1.0796      2.00000
     23       1.1429      2.00000
     24       1.1773      2.00000
     25       1.2522      2.00000
     26       1.3626      2.00000
     27       1.3755      2.00000
     28       1.4938      2.00000
     29       1.6209      2.00000
     30       1.6441      2.00000
     31       1.7430      2.00000
     32       1.8748      2.00000
     33       1.8954      2.00000
     34       1.9967      2.00000
     35       2.0783      2.00000
     36       2.1776      2.00000
     37       2.2373      2.00000
     38       2.3188      2.00000
     39       2.4009      2.00000
     40       2.4732      2.00000
     41       2.5647      2.00000
     42       2.6315      2.00000
     43       2.7209      2.00000
     44       2.7631      2.00000
     45       2.8197      2.00000
     46       2.8517      2.00000
     47       2.9303      2.00000
     48       3.0201      2.00000
     49       3.0791      2.00000
     50       3.1393      2.00000
     51       3.2262      2.00000
     52       3.2573      2.00000
     53       3.5451      2.00000
     54       3.6705      2.00000
     55       3.7411      2.00000
     56       3.8116      2.00000
     57       4.0977      2.00000
     58       4.9366      2.00000
     59       5.0783      2.00000
     60       5.8226      2.04506
     61       6.8078     -0.00000
     62       7.1820     -0.00000
     63       7.7737     -0.00000
     64       8.6848     -0.00000
     65       8.9427     -0.00000
     66       9.1283     -0.00000
     67       9.4557     -0.00000
     68       9.6214     -0.00000
     69       9.7894     -0.00000
     70      10.9356     -0.00000
     71      11.5637      0.00000
     72      12.1324      0.00000
     73      12.3273      0.00000
     74      12.4770      0.00000
     75      13.1597      0.00000
     76      13.2998      0.00000
     77      13.6940      0.00000
     78      14.0797      0.00000
     79      14.3990      0.00000
     80      14.5343      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0756      2.00000
      9      -0.2679      2.00000
     10      -0.2113      2.00000
     11       0.2611      2.00000
     12       0.4255      2.00000
     13       0.5231      2.00000
     14       0.5584      2.00000
     15       0.6787      2.00000
     16       0.7893      2.00000
     17       0.8349      2.00000
     18       0.9123      2.00000
     19       1.0029      2.00000
     20       1.0926      2.00000
     21       1.1010      2.00000
     22       1.1470      2.00000
     23       1.1989      2.00000
     24       1.2295      2.00000
     25       1.2768      2.00000
     26       1.3578      2.00000
     27       1.4943      2.00000
     28       1.5802      2.00000
     29       1.6355      2.00000
     30       1.6624      2.00000
     31       1.8194      2.00000
     32       1.8385      2.00000
     33       1.9961      2.00000
     34       2.0041      2.00000
     35       2.0652      2.00000
     36       2.1692      2.00000
     37       2.2045      2.00000
     38       2.2453      2.00000
     39       2.2972      2.00000
     40       2.3722      2.00000
     41       2.5072      2.00000
     42       2.6274      2.00000
     43       2.6550      2.00000
     44       2.7192      2.00000
     45       2.7595      2.00000
     46       2.8027      2.00000
     47       2.8379      2.00000
     48       2.9310      2.00000
     49       2.9523      2.00000
     50       3.0942      2.00000
     51       3.1186      2.00000
     52       3.2078      2.00000
     53       3.4114      2.00000
     54       3.4943      2.00000
     55       3.5844      2.00000
     56       3.6850      2.00000
     57       4.4228      2.00000
     58       4.7951      2.00000
     59       5.4310      2.00027
     60       5.9921      1.21670
     61       6.6038     -0.00028
     62       6.9418     -0.00000
     63       7.0308     -0.00000
     64       7.3308     -0.00000
     65       8.2590     -0.00000
     66       8.5021     -0.00000
     67       8.8255     -0.00000
     68       9.3387     -0.00000
     69       9.9718     -0.00000
     70      10.1789     -0.00000
     71      10.3251     -0.00000
     72      11.0772     -0.00000
     73      11.7740      0.00000
     74      12.1325      0.00000
     75      12.3062      0.00000
     76      12.9686      0.00000
     77      13.7691      0.00000
     78      13.8206      0.00000
     79      14.0838      0.00000
     80      14.2200      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3657      2.00000
      9      -0.1430      2.00000
     10       0.0789      2.00000
     11       0.1465      2.00000
     12       0.4567      2.00000
     13       0.5642      2.00000
     14       0.6363      2.00000
     15       0.6877      2.00000
     16       0.7347      2.00000
     17       0.8922      2.00000
     18       0.9473      2.00000
     19       1.0639      2.00000
     20       1.1469      2.00000
     21       1.1781      2.00000
     22       1.2165      2.00000
     23       1.3226      2.00000
     24       1.3784      2.00000
     25       1.4707      2.00000
     26       1.5346      2.00000
     27       1.5647      2.00000
     28       1.6346      2.00000
     29       1.7127      2.00000
     30       1.7815      2.00000
     31       1.8474      2.00000
     32       1.9069      2.00000
     33       1.9408      2.00000
     34       2.0881      2.00000
     35       2.1466      2.00000
     36       2.1536      2.00000
     37       2.2496      2.00000
     38       2.2612      2.00000
     39       2.3335      2.00000
     40       2.3737      2.00000
     41       2.4169      2.00000
     42       2.5111      2.00000
     43       2.5612      2.00000
     44       2.5950      2.00000
     45       2.6148      2.00000
     46       2.6873      2.00000
     47       2.7719      2.00000
     48       2.7928      2.00000
     49       2.8763      2.00000
     50       3.0706      2.00000
     51       3.1286      2.00000
     52       3.1852      2.00000
     53       3.3650      2.00000
     54       3.5320      2.00000
     55       3.6263      2.00000
     56       3.8839      2.00000
     57       4.3681      2.00000
     58       4.7243      2.00000
     59       5.0980      2.00000
     60       5.6341      2.02057
     61       5.6897      2.04235
     62       6.1941     -0.01577
     63       6.6465     -0.00008
     64       7.0066     -0.00000
     65       7.5027     -0.00000
     66       7.8710     -0.00000
     67       8.9919     -0.00000
     68       9.5983     -0.00000
     69       9.8891     -0.00000
     70      10.0846     -0.00000
     71      10.4706     -0.00000
     72      10.7306     -0.00000
     73      11.0878     -0.00000
     74      11.6132      0.00000
     75      12.2455      0.00000
     76      12.9581      0.00000
     77      13.1746      0.00000
     78      13.8976      0.00000
     79      13.9149      0.00000
     80      14.0546      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4504      2.00000
      9      -0.1481      2.00000
     10      -0.0133      2.00000
     11       0.1306      2.00000
     12       0.5353      2.00000
     13       0.5740      2.00000
     14       0.6452      2.00000
     15       0.7557      2.00000
     16       0.8622      2.00000
     17       0.9513      2.00000
     18       0.9992      2.00000
     19       1.0508      2.00000
     20       1.1069      2.00000
     21       1.1672      2.00000
     22       1.2236      2.00000
     23       1.3144      2.00000
     24       1.3924      2.00000
     25       1.4716      2.00000
     26       1.5028      2.00000
     27       1.5474      2.00000
     28       1.5986      2.00000
     29       1.7144      2.00000
     30       1.7548      2.00000
     31       1.7940      2.00000
     32       1.8962      2.00000
     33       1.9571      2.00000
     34       1.9696      2.00000
     35       2.0535      2.00000
     36       2.1790      2.00000
     37       2.1909      2.00000
     38       2.2875      2.00000
     39       2.3278      2.00000
     40       2.3555      2.00000
     41       2.4749      2.00000
     42       2.4952      2.00000
     43       2.5846      2.00000
     44       2.6149      2.00000
     45       2.6771      2.00000
     46       2.7685      2.00000
     47       2.8008      2.00000
     48       2.8132      2.00000
     49       2.8995      2.00000
     50       3.1218      2.00000
     51       3.1756      2.00000
     52       3.2306      2.00000
     53       3.5153      2.00000
     54       3.5708      2.00000
     55       3.6841      2.00000
     56       3.8780      2.00000
     57       4.4434      2.00000
     58       4.5815      2.00000
     59       4.9760      2.00000
     60       5.4229      2.00021
     61       5.7541      2.06850
     62       5.8218      2.04604
     63       6.7130     -0.00001
     64       6.9900     -0.00000
     65       7.2898     -0.00000
     66       7.5118     -0.00000
     67       9.0246     -0.00000
     68       9.4023     -0.00000
     69      10.1088     -0.00000
     70      10.5181     -0.00000
     71      10.8596     -0.00000
     72      11.2109     -0.00000
     73      11.4033     -0.00000
     74      11.6809      0.00000
     75      12.0174      0.00000
     76      12.6504      0.00000
     77      13.4588      0.00000
     78      13.5623      0.00000
     79      14.0937      0.00000
     80      14.1465      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1379      2.00000
      9      -0.5375      2.00000
     10       0.1049      2.00000
     11       0.1272      2.00000
     12       0.5068      2.00000
     13       0.5846      2.00000
     14       0.6516      2.00000
     15       0.6879      2.00000
     16       0.7980      2.00000
     17       0.8202      2.00000
     18       0.8447      2.00000
     19       0.9362      2.00000
     20       1.0948      2.00000
     21       1.1354      2.00000
     22       1.1765      2.00000
     23       1.2042      2.00000
     24       1.3196      2.00000
     25       1.3632      2.00000
     26       1.4023      2.00000
     27       1.4435      2.00000
     28       1.5114      2.00000
     29       1.5692      2.00000
     30       1.6908      2.00000
     31       1.7352      2.00000
     32       1.8747      2.00000
     33       1.9168      2.00000
     34       1.9716      2.00000
     35       2.1180      2.00000
     36       2.1635      2.00000
     37       2.2405      2.00000
     38       2.2853      2.00000
     39       2.3501      2.00000
     40       2.4242      2.00000
     41       2.5144      2.00000
     42       2.5699      2.00000
     43       2.6597      2.00000
     44       2.6931      2.00000
     45       2.7643      2.00000
     46       2.8073      2.00000
     47       2.8511      2.00000
     48       2.9092      2.00000
     49       2.9609      2.00000
     50       3.0784      2.00000
     51       3.1207      2.00000
     52       3.2065      2.00000
     53       3.3476      2.00000
     54       3.5103      2.00000
     55       3.7008      2.00000
     56       4.1219      2.00000
     57       4.6038      2.00000
     58       4.9800      2.00000
     59       5.3605      2.00003
     60       5.6853      2.04036
     61       6.0272      0.92165
     62       6.2183     -0.05056
     63       6.7011     -0.00002
     64       7.1755     -0.00000
     65       7.6203     -0.00000
     66       8.7409     -0.00000
     67       8.9055     -0.00000
     68       9.3552     -0.00000
     69      10.4024     -0.00000
     70      10.6075     -0.00000
     71      11.0154     -0.00000
     72      11.6235      0.00000
     73      12.2191      0.00000
     74      12.4975      0.00000
     75      12.8180      0.00000
     76      13.3540      0.00000
     77      13.5889      0.00000
     78      14.0751      0.00000
     79      14.2351      0.00000
     80      14.4776      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6591      2.00000
      9      -0.8906      2.00000
     10       0.1408      2.00000
     11       0.2600      2.00000
     12       0.3098      2.00000
     13       0.3211      2.00000
     14       0.3977      2.00000
     15       0.6221      2.00000
     16       0.6433      2.00000
     17       0.6645      2.00000
     18       0.7512      2.00000
     19       0.8540      2.00000
     20       0.9350      2.00000
     21       1.0565      2.00000
     22       1.1233      2.00000
     23       1.1791      2.00000
     24       1.2177      2.00000
     25       1.2740      2.00000
     26       1.3777      2.00000
     27       1.3914      2.00000
     28       1.4738      2.00000
     29       1.5911      2.00000
     30       1.6896      2.00000
     31       1.7395      2.00000
     32       1.8440      2.00000
     33       1.8519      2.00000
     34       2.0311      2.00000
     35       2.1566      2.00000
     36       2.1904      2.00000
     37       2.2304      2.00000
     38       2.2621      2.00000
     39       2.3685      2.00000
     40       2.4424      2.00000
     41       2.5139      2.00000
     42       2.6226      2.00000
     43       2.6534      2.00000
     44       2.7787      2.00000
     45       2.8278      2.00000
     46       2.8757      2.00000
     47       2.9523      2.00000
     48       2.9851      2.00000
     49       3.1138      2.00000
     50       3.1863      2.00000
     51       3.2066      2.00000
     52       3.2934      2.00000
     53       3.4770      2.00000
     54       3.7152      2.00000
     55       3.9383      2.00000
     56       3.9626      2.00000
     57       4.1958      2.00000
     58       4.5994      2.00000
     59       5.0548      2.00000
     60       5.6498      2.02584
     61       6.7411     -0.00000
     62       7.3389     -0.00000
     63       7.6628     -0.00000
     64       8.2641     -0.00000
     65       8.4724     -0.00000
     66       8.5656     -0.00000
     67       9.0068     -0.00000
     68       9.2264     -0.00000
     69      11.3344     -0.00000
     70      12.1255      0.00000
     71      12.4168      0.00000
     72      12.6550      0.00000
     73      12.8346      0.00000
     74      13.0962      0.00000
     75      13.2838      0.00000
     76      13.5445      0.00000
     77      13.7088      0.00000
     78      13.7793      0.00000
     79      13.8861      0.00000
     80      14.0636      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6616      2.00000
      9      -0.7772      2.00000
     10      -0.6023      2.00000
     11       0.0756      2.00000
     12       0.2615      2.00000
     13       0.3767      2.00000
     14       0.3902      2.00000
     15       0.5493      2.00000
     16       0.6295      2.00000
     17       0.7395      2.00000
     18       0.7405      2.00000
     19       0.8349      2.00000
     20       0.8886      2.00000
     21       0.9224      2.00000
     22       1.0471      2.00000
     23       1.1029      2.00000
     24       1.1328      2.00000
     25       1.2340      2.00000
     26       1.3244      2.00000
     27       1.3545      2.00000
     28       1.4866      2.00000
     29       1.6037      2.00000
     30       1.6153      2.00000
     31       1.7806      2.00000
     32       1.9024      2.00000
     33       1.9045      2.00000
     34       2.0906      2.00000
     35       2.1454      2.00000
     36       2.2239      2.00000
     37       2.3485      2.00000
     38       2.4378      2.00000
     39       2.4633      2.00000
     40       2.4700      2.00000
     41       2.5397      2.00000
     42       2.6173      2.00000
     43       2.6786      2.00000
     44       2.6855      2.00000
     45       2.8146      2.00000
     46       2.8713      2.00000
     47       2.9538      2.00000
     48       2.9770      2.00000
     49       3.1507      2.00000
     50       3.2300      2.00000
     51       3.3169      2.00000
     52       3.3377      2.00000
     53       3.4403      2.00000
     54       3.5315      2.00000
     55       3.7151      2.00000
     56       3.7496      2.00000
     57       3.9875      2.00000
     58       4.2003      2.00000
     59       5.8132      2.05483
     60       7.2625     -0.00000
     61       7.4220     -0.00000
     62       7.4608     -0.00000
     63       7.7543     -0.00000
     64       8.2347     -0.00000
     65       8.7236     -0.00000
     66       9.2623     -0.00000
     67       9.8807     -0.00000
     68      10.4802     -0.00000
     69      10.6562     -0.00000
     70      11.2176     -0.00000
     71      11.2618     -0.00000
     72      11.4288     -0.00000
     73      12.4056      0.00000
     74      12.9846      0.00000
     75      13.1443      0.00000
     76      13.1851      0.00000
     77      13.4125      0.00000
     78      13.8861      0.00000
     79      13.9035      0.00000
     80      14.5925      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9162      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3937      2.00000
      9      -0.7702      2.00000
     10      -0.4099      2.00000
     11       0.1154      2.00000
     12       0.1909      2.00000
     13       0.4712      2.00000
     14       0.5374      2.00000
     15       0.6248      2.00000
     16       0.6425      2.00000
     17       0.7448      2.00000
     18       0.7590      2.00000
     19       0.9180      2.00000
     20       0.9568      2.00000
     21       0.9907      2.00000
     22       0.9967      2.00000
     23       1.1020      2.00000
     24       1.1667      2.00000
     25       1.1897      2.00000
     26       1.3320      2.00000
     27       1.3538      2.00000
     28       1.5582      2.00000
     29       1.6153      2.00000
     30       1.7288      2.00000
     31       1.7668      2.00000
     32       1.8274      2.00000
     33       1.9623      2.00000
     34       2.0183      2.00000
     35       2.0483      2.00000
     36       2.1480      2.00000
     37       2.2781      2.00000
     38       2.2789      2.00000
     39       2.3604      2.00000
     40       2.5148      2.00000
     41       2.5539      2.00000
     42       2.6440      2.00000
     43       2.7070      2.00000
     44       2.7412      2.00000
     45       2.7978      2.00000
     46       2.8930      2.00000
     47       2.9212      2.00000
     48       3.0115      2.00000
     49       3.1055      2.00000
     50       3.1565      2.00000
     51       3.2198      2.00000
     52       3.3481      2.00000
     53       3.3709      2.00000
     54       3.5643      2.00000
     55       3.7828      2.00000
     56       3.8413      2.00000
     57       3.9862      2.00000
     58       4.2296      2.00000
     59       6.2127     -0.04433
     60       6.5040     -0.00314
     61       7.3864     -0.00000
     62       7.7787     -0.00000
     63       7.8868     -0.00000
     64       8.3500     -0.00000
     65       8.5555     -0.00000
     66       8.8078     -0.00000
     67       8.8347     -0.00000
     68       9.6416     -0.00000
     69      10.2086     -0.00000
     70      10.6292     -0.00000
     71      10.7697     -0.00000
     72      11.1114     -0.00000
     73      11.9449      0.00000
     74      12.2970      0.00000
     75      12.6535      0.00000
     76      13.1662      0.00000
     77      13.6160      0.00000
     78      13.9337      0.00000
     79      14.2724      0.00000
     80      14.6624      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.9065      2.00000
      9      -0.3818      2.00000
     10      -0.0405      2.00000
     11       0.0611      2.00000
     12       0.4437      2.00000
     13       0.4963      2.00000
     14       0.5979      2.00000
     15       0.6945      2.00000
     16       0.7546      2.00000
     17       0.7586      2.00000
     18       0.8261      2.00000
     19       0.8879      2.00000
     20       1.0016      2.00000
     21       1.0375      2.00000
     22       1.1584      2.00000
     23       1.2367      2.00000
     24       1.2899      2.00000
     25       1.3774      2.00000
     26       1.4173      2.00000
     27       1.4928      2.00000
     28       1.6116      2.00000
     29       1.6568      2.00000
     30       1.7166      2.00000
     31       1.7873      2.00000
     32       1.8379      2.00000
     33       1.9243      2.00000
     34       1.9796      2.00000
     35       2.0302      2.00000
     36       2.0719      2.00000
     37       2.2172      2.00000
     38       2.2533      2.00000
     39       2.2883      2.00000
     40       2.4044      2.00000
     41       2.5530      2.00000
     42       2.6227      2.00000
     43       2.6345      2.00000
     44       2.7088      2.00000
     45       2.7387      2.00000
     46       2.8322      2.00000
     47       2.8679      2.00000
     48       2.9046      2.00000
     49       2.9345      2.00000
     50       3.0336      2.00000
     51       3.1337      2.00000
     52       3.3044      2.00000
     53       3.3403      2.00000
     54       3.4865      2.00000
     55       3.5701      2.00000
     56       3.7507      2.00000
     57       4.4146      2.00000
     58       5.2185      2.00000
     59       5.2888      2.00000
     60       5.9531      1.51829
     61       7.0542     -0.00000
     62       7.1854     -0.00000
     63       7.3382     -0.00000
     64       7.4423     -0.00000
     65       8.1625     -0.00000
     66       8.4050     -0.00000
     67       8.6187     -0.00000
     68       9.0555     -0.00000
     69       9.3268     -0.00000
     70       9.8262     -0.00000
     71      10.7635     -0.00000
     72      10.9715     -0.00000
     73      11.2711     -0.00000
     74      11.6002      0.00000
     75      12.5137      0.00000
     76      13.0904      0.00000
     77      13.4115      0.00000
     78      13.6672      0.00000
     79      13.9068      0.00000
     80      14.1200      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3897      2.00000
      9      -0.0755      2.00000
     10       0.1021      2.00000
     11       0.1580      2.00000
     12       0.4568      2.00000
     13       0.4934      2.00000
     14       0.5518      2.00000
     15       0.6735      2.00000
     16       0.7832      2.00000
     17       0.9106      2.00000
     18       0.9424      2.00000
     19       1.1125      2.00000
     20       1.1667      2.00000
     21       1.2158      2.00000
     22       1.2379      2.00000
     23       1.3294      2.00000
     24       1.4114      2.00000
     25       1.4407      2.00000
     26       1.4862      2.00000
     27       1.5612      2.00000
     28       1.6207      2.00000
     29       1.6611      2.00000
     30       1.7180      2.00000
     31       1.8281      2.00000
     32       1.9124      2.00000
     33       1.9616      2.00000
     34       2.0334      2.00000
     35       2.1063      2.00000
     36       2.1194      2.00000
     37       2.2003      2.00000
     38       2.2982      2.00000
     39       2.3119      2.00000
     40       2.3550      2.00000
     41       2.4674      2.00000
     42       2.5289      2.00000
     43       2.5534      2.00000
     44       2.6264      2.00000
     45       2.6973      2.00000
     46       2.7380      2.00000
     47       2.8137      2.00000
     48       2.8361      2.00000
     49       2.9497      2.00000
     50       3.0723      2.00000
     51       3.1814      2.00000
     52       3.2841      2.00000
     53       3.3410      2.00000
     54       3.4681      2.00000
     55       3.5877      2.00000
     56       3.7869      2.00000
     57       4.0878      2.00000
     58       4.2965      2.00000
     59       5.4687      2.00072
     60       5.8581      1.97961
     61       6.0220      0.96609
     62       6.3352     -0.04740
     63       6.7255     -0.00001
     64       7.1241     -0.00000
     65       7.6047     -0.00000
     66       8.0672     -0.00000
     67       8.3333     -0.00000
     68       8.9206     -0.00000
     69       9.4343     -0.00000
     70      10.2328     -0.00000
     71      10.4159     -0.00000
     72      10.5638     -0.00000
     73      11.3134     -0.00000
     74      11.8254      0.00000
     75      12.1623      0.00000
     76      12.9368      0.00000
     77      13.0120      0.00000
     78      13.6813      0.00000
     79      13.9968      0.00000
     80      14.6379      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4458      2.00000
      9      -0.1488      2.00000
     10       0.0484      2.00000
     11       0.1336      2.00000
     12       0.4970      2.00000
     13       0.5321      2.00000
     14       0.6321      2.00000
     15       0.7146      2.00000
     16       0.8971      2.00000
     17       0.9214      2.00000
     18       1.0350      2.00000
     19       1.0758      2.00000
     20       1.1365      2.00000
     21       1.1812      2.00000
     22       1.2543      2.00000
     23       1.2961      2.00000
     24       1.3916      2.00000
     25       1.4135      2.00000
     26       1.4582      2.00000
     27       1.5062      2.00000
     28       1.6588      2.00000
     29       1.6972      2.00000
     30       1.7421      2.00000
     31       1.7953      2.00000
     32       1.8730      2.00000
     33       1.9131      2.00000
     34       2.0060      2.00000
     35       2.0781      2.00000
     36       2.1850      2.00000
     37       2.2110      2.00000
     38       2.2825      2.00000
     39       2.3499      2.00000
     40       2.3697      2.00000
     41       2.4496      2.00000
     42       2.5045      2.00000
     43       2.5521      2.00000
     44       2.6541      2.00000
     45       2.6896      2.00000
     46       2.7414      2.00000
     47       2.8114      2.00000
     48       2.8824      2.00000
     49       2.9056      2.00000
     50       3.1097      2.00000
     51       3.1642      2.00000
     52       3.2511      2.00000
     53       3.4759      2.00000
     54       3.5630      2.00000
     55       3.6014      2.00000
     56       3.8964      2.00000
     57       4.3412      2.00000
     58       4.8587      2.00000
     59       5.0014      2.00000
     60       5.2068      2.00000
     61       5.6139      2.01498
     62       5.8096      2.05786
     63       6.7191     -0.00001
     64       7.1798     -0.00000
     65       7.6932     -0.00000
     66       7.8768     -0.00000
     67       8.7036     -0.00000
     68       9.4948     -0.00000
     69       9.9535     -0.00000
     70      10.1257     -0.00000
     71      10.4697     -0.00000
     72      10.5881     -0.00000
     73      11.1438     -0.00000
     74      11.8131      0.00000
     75      12.2326      0.00000
     76      12.7445      0.00000
     77      13.5869      0.00000
     78      14.0634      0.00000
     79      14.3195      0.00000
     80      14.4653      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0795      2.00000
      9      -0.3687      2.00000
     10      -0.1156      2.00000
     11       0.2719      2.00000
     12       0.4376      2.00000
     13       0.5107      2.00000
     14       0.5436      2.00000
     15       0.6813      2.00000
     16       0.7847      2.00000
     17       0.8415      2.00000
     18       0.9185      2.00000
     19       0.9499      2.00000
     20       1.0507      2.00000
     21       1.0834      2.00000
     22       1.1715      2.00000
     23       1.2196      2.00000
     24       1.2689      2.00000
     25       1.3223      2.00000
     26       1.4137      2.00000
     27       1.4541      2.00000
     28       1.5504      2.00000
     29       1.6093      2.00000
     30       1.7705      2.00000
     31       1.8193      2.00000
     32       1.8449      2.00000
     33       1.9656      2.00000
     34       1.9958      2.00000
     35       2.0521      2.00000
     36       2.1051      2.00000
     37       2.1333      2.00000
     38       2.2068      2.00000
     39       2.3294      2.00000
     40       2.4282      2.00000
     41       2.4694      2.00000
     42       2.6044      2.00000
     43       2.6495      2.00000
     44       2.6820      2.00000
     45       2.7872      2.00000
     46       2.8177      2.00000
     47       2.8714      2.00000
     48       2.9238      2.00000
     49       2.9760      2.00000
     50       3.0819      2.00000
     51       3.1287      2.00000
     52       3.2374      2.00000
     53       3.3195      2.00000
     54       3.4499      2.00000
     55       3.6246      2.00000
     56       4.0747      2.00000
     57       4.2763      2.00000
     58       5.1823      2.00000
     59       5.7476      2.06675
     60       5.9252      1.69910
     61       6.1139      0.28224
     62       6.5394     -0.00142
     63       6.7779     -0.00000
     64       7.2696     -0.00000
     65       7.6570     -0.00000
     66       8.3355     -0.00000
     67       9.3814     -0.00000
     68       9.5297     -0.00000
     69       9.9854     -0.00000
     70      10.1747     -0.00000
     71      11.3404     -0.00000
     72      11.4978      0.00000
     73      11.7685      0.00000
     74      11.9523      0.00000
     75      12.2816      0.00000
     76      12.7678      0.00000
     77      13.3554      0.00000
     78      13.6836      0.00000
     79      13.8307      0.00000
     80      14.2059      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.5562      2.00000
      9      -0.5536      2.00000
     10      -0.4649      2.00000
     11       0.2088      2.00000
     12       0.2341      2.00000
     13       0.4719      2.00000
     14       0.5243      2.00000
     15       0.5938      2.00000
     16       0.6325      2.00000
     17       0.6715      2.00000
     18       0.7964      2.00000
     19       0.9017      2.00000
     20       0.9467      2.00000
     21       0.9879      2.00000
     22       1.0140      2.00000
     23       1.1199      2.00000
     24       1.1607      2.00000
     25       1.2197      2.00000
     26       1.3868      2.00000
     27       1.4326      2.00000
     28       1.4862      2.00000
     29       1.5960      2.00000
     30       1.6400      2.00000
     31       1.7266      2.00000
     32       1.8695      2.00000
     33       1.8864      2.00000
     34       2.0149      2.00000
     35       2.1061      2.00000
     36       2.2038      2.00000
     37       2.2668      2.00000
     38       2.3439      2.00000
     39       2.3699      2.00000
     40       2.4390      2.00000
     41       2.5852      2.00000
     42       2.6764      2.00000
     43       2.7037      2.00000
     44       2.7356      2.00000
     45       2.8403      2.00000
     46       2.8649      2.00000
     47       2.8924      2.00000
     48       3.0552      2.00000
     49       3.0903      2.00000
     50       3.1664      2.00000
     51       3.2273      2.00000
     52       3.2332      2.00000
     53       3.5311      2.00000
     54       3.6152      2.00000
     55       3.6514      2.00000
     56       3.8483      2.00000
     57       3.9763      2.00000
     58       4.4817      2.00000
     59       5.6750      2.03582
     60       6.3636     -0.03466
     61       6.7059     -0.00001
     62       7.5060     -0.00000
     63       7.9697     -0.00000
     64       8.6830     -0.00000
     65       8.8794     -0.00000
     66       9.2108     -0.00000
     67       9.3737     -0.00000
     68       9.4707     -0.00000
     69       9.7906     -0.00000
     70      10.5187     -0.00000
     71      11.1836     -0.00000
     72      11.5421      0.00000
     73      12.0605      0.00000
     74      12.2439      0.00000
     75      13.0173      0.00000
     76      13.2481      0.00000
     77      13.2921      0.00000
     78      13.8546      0.00000
     79      14.5902      0.00000
     80      14.6769      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6552      2.00000
      5     -39.6545      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6125      2.00000
      9      -0.8264      2.00000
     10      -0.5706      2.00000
     11       0.0736      2.00000
     12       0.1483      2.00000
     13       0.3615      2.00000
     14       0.3899      2.00000
     15       0.5490      2.00000
     16       0.6407      2.00000
     17       0.7643      2.00000
     18       0.7886      2.00000
     19       0.8714      2.00000
     20       0.8754      2.00000
     21       0.9194      2.00000
     22       1.0160      2.00000
     23       1.0302      2.00000
     24       1.0756      2.00000
     25       1.2536      2.00000
     26       1.3088      2.00000
     27       1.3777      2.00000
     28       1.4781      2.00000
     29       1.6248      2.00000
     30       1.6723      2.00000
     31       1.7594      2.00000
     32       1.8358      2.00000
     33       1.9560      2.00000
     34       2.0135      2.00000
     35       2.1703      2.00000
     36       2.2023      2.00000
     37       2.3291      2.00000
     38       2.4261      2.00000
     39       2.4635      2.00000
     40       2.4695      2.00000
     41       2.5132      2.00000
     42       2.6290      2.00000
     43       2.6369      2.00000
     44       2.6571      2.00000
     45       2.8284      2.00000
     46       2.8389      2.00000
     47       2.9494      2.00000
     48       2.9515      2.00000
     49       2.9816      2.00000
     50       3.1923      2.00000
     51       3.2526      2.00000
     52       3.4565      2.00000
     53       3.5501      2.00000
     54       3.6539      2.00000
     55       3.9646      2.00000
     56       4.0656      2.00000
     57       4.2125      2.00000
     58       4.5976      2.00000
     59       5.8660      1.95803
     60       6.1215      0.24058
     61       6.6466     -0.00008
     62       7.3629     -0.00000
     63       8.0032     -0.00000
     64       8.2512     -0.00000
     65       8.6536     -0.00000
     66       9.1108     -0.00000
     67       9.1669     -0.00000
     68      10.9087     -0.00000
     69      11.4401     -0.00000
     70      11.6316      0.00000
     71      11.9428      0.00000
     72      12.3417      0.00000
     73      12.6258      0.00000
     74      13.1662      0.00000
     75      13.2084      0.00000
     76      13.3607      0.00000
     77      13.3988      0.00000
     78      13.8295      0.00000
     79      13.8541      0.00000
     80      14.0881      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6551      2.00000
      5     -39.6544      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3568      2.00000
      9      -0.6628      2.00000
     10      -0.5416      2.00000
     11       0.0536      2.00000
     12       0.1872      2.00000
     13       0.4669      2.00000
     14       0.5564      2.00000
     15       0.6226      2.00000
     16       0.6356      2.00000
     17       0.7486      2.00000
     18       0.7912      2.00000
     19       0.9117      2.00000
     20       0.9241      2.00000
     21       0.9520      2.00000
     22       0.9829      2.00000
     23       1.0984      2.00000
     24       1.1249      2.00000
     25       1.1787      2.00000
     26       1.3708      2.00000
     27       1.4309      2.00000
     28       1.5985      2.00000
     29       1.6141      2.00000
     30       1.6790      2.00000
     31       1.7221      2.00000
     32       1.7736      2.00000
     33       1.9340      2.00000
     34       2.0194      2.00000
     35       2.0771      2.00000
     36       2.1902      2.00000
     37       2.2119      2.00000
     38       2.2806      2.00000
     39       2.4563      2.00000
     40       2.4798      2.00000
     41       2.5370      2.00000
     42       2.6398      2.00000
     43       2.6832      2.00000
     44       2.7281      2.00000
     45       2.7488      2.00000
     46       2.8452      2.00000
     47       2.8878      2.00000
     48       2.9864      2.00000
     49       3.0663      2.00000
     50       3.1408      2.00000
     51       3.1623      2.00000
     52       3.3169      2.00000
     53       3.4393      2.00000
     54       3.5214      2.00000
     55       3.7644      2.00000
     56       3.8957      2.00000
     57       5.0214      2.00000
     58       5.1294      2.00000
     59       5.6093      2.01387
     60       6.0373      0.83749
     61       6.8585     -0.00000
     62       7.3552     -0.00000
     63       7.5079     -0.00000
     64       7.6993     -0.00000
     65       8.1159     -0.00000
     66       8.2614     -0.00000
     67       9.9489     -0.00000
     68      10.3743     -0.00000
     69      10.5450     -0.00000
     70      11.0008     -0.00000
     71      11.1643     -0.00000
     72      11.6620      0.00000
     73      12.3293      0.00000
     74      12.4615      0.00000
     75      12.9787      0.00000
     76      13.1696      0.00000
     77      13.6558      0.00000
     78      13.7940      0.00000
     79      14.0880      0.00000
     80      14.3649      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.8985      2.00000
      9      -0.3643      2.00000
     10      -0.0505      2.00000
     11       0.0278      2.00000
     12       0.4707      2.00000
     13       0.4971      2.00000
     14       0.5819      2.00000
     15       0.6984      2.00000
     16       0.7350      2.00000
     17       0.7727      2.00000
     18       0.8294      2.00000
     19       0.8795      2.00000
     20       0.9987      2.00000
     21       1.0267      2.00000
     22       1.1370      2.00000
     23       1.2425      2.00000
     24       1.3380      2.00000
     25       1.3877      2.00000
     26       1.4614      2.00000
     27       1.5153      2.00000
     28       1.5559      2.00000
     29       1.5935      2.00000
     30       1.7512      2.00000
     31       1.8012      2.00000
     32       1.8717      2.00000
     33       1.9111      2.00000
     34       1.9663      2.00000
     35       2.0197      2.00000
     36       2.1276      2.00000
     37       2.1876      2.00000
     38       2.2290      2.00000
     39       2.2561      2.00000
     40       2.3264      2.00000
     41       2.5562      2.00000
     42       2.6099      2.00000
     43       2.6558      2.00000
     44       2.7234      2.00000
     45       2.7341      2.00000
     46       2.8477      2.00000
     47       2.8756      2.00000
     48       2.9138      2.00000
     49       2.9652      2.00000
     50       3.0467      2.00000
     51       3.1358      2.00000
     52       3.2750      2.00000
     53       3.3514      2.00000
     54       3.4140      2.00000
     55       3.5019      2.00000
     56       3.7149      2.00000
     57       4.6984      2.00000
     58       5.3847      2.00007
     59       5.6331      2.02026
     60       5.8366      2.02506
     61       6.6952     -0.00002
     62       6.9400     -0.00000
     63       7.1048     -0.00000
     64       7.2414     -0.00000
     65       8.4929     -0.00000
     66       8.5841     -0.00000
     67       8.7035     -0.00000
     68       8.9016     -0.00000
     69       9.2485     -0.00000
     70       9.6711     -0.00000
     71      10.8931     -0.00000
     72      11.0804     -0.00000
     73      11.2660     -0.00000
     74      11.7958      0.00000
     75      12.7508      0.00000
     76      13.0044      0.00000
     77      13.5195      0.00000
     78      13.7553      0.00000
     79      13.9912      0.00000
     80      14.3893      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3666      2.00000
      9      -0.1216      2.00000
     10       0.0999      2.00000
     11       0.1740      2.00000
     12       0.4642      2.00000
     13       0.5302      2.00000
     14       0.5900      2.00000
     15       0.6391      2.00000
     16       0.7460      2.00000
     17       0.9031      2.00000
     18       0.9500      2.00000
     19       1.0650      2.00000
     20       1.1523      2.00000
     21       1.1910      2.00000
     22       1.2439      2.00000
     23       1.3174      2.00000
     24       1.3945      2.00000
     25       1.4850      2.00000
     26       1.5113      2.00000
     27       1.5394      2.00000
     28       1.6238      2.00000
     29       1.7190      2.00000
     30       1.7393      2.00000
     31       1.8371      2.00000
     32       1.9064      2.00000
     33       1.9706      2.00000
     34       2.0419      2.00000
     35       2.1111      2.00000
     36       2.1745      2.00000
     37       2.2562      2.00000
     38       2.3064      2.00000
     39       2.3191      2.00000
     40       2.3804      2.00000
     41       2.4305      2.00000
     42       2.5185      2.00000
     43       2.5627      2.00000
     44       2.5822      2.00000
     45       2.6367      2.00000
     46       2.7035      2.00000
     47       2.7596      2.00000
     48       2.8063      2.00000
     49       2.9560      2.00000
     50       3.0461      2.00000
     51       3.1403      2.00000
     52       3.1814      2.00000
     53       3.3324      2.00000
     54       3.5340      2.00000
     55       3.5993      2.00000
     56       3.9563      2.00000
     57       4.1918      2.00000
     58       4.4146      2.00000
     59       5.2762      2.00000
     60       5.8324      2.03184
     61       5.9556      1.50043
     62       6.2569     -0.07063
     63       6.4667     -0.00674
     64       6.9945     -0.00000
     65       7.8641     -0.00000
     66       8.0334     -0.00000
     67       8.8245     -0.00000
     68       9.1448     -0.00000
     69       9.7246     -0.00000
     70       9.8539     -0.00000
     71      10.3702     -0.00000
     72      10.5774     -0.00000
     73      10.9591     -0.00000
     74      11.8497      0.00000
     75      12.4534      0.00000
     76      12.6182      0.00000
     77      13.3222      0.00000
     78      13.7169      0.00000
     79      14.3557      0.00000
     80      14.4466      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4383      2.00000
      9      -0.1379      2.00000
     10      -0.0174      2.00000
     11       0.1315      2.00000
     12       0.5463      2.00000
     13       0.5912      2.00000
     14       0.6467      2.00000
     15       0.7799      2.00000
     16       0.8041      2.00000
     17       0.9248      2.00000
     18       0.9669      2.00000
     19       1.0491      2.00000
     20       1.1101      2.00000
     21       1.1510      2.00000
     22       1.2405      2.00000
     23       1.3385      2.00000
     24       1.3866      2.00000
     25       1.4083      2.00000
     26       1.4892      2.00000
     27       1.5896      2.00000
     28       1.6691      2.00000
     29       1.7199      2.00000
     30       1.7691      2.00000
     31       1.8224      2.00000
     32       1.8876      2.00000
     33       1.8989      2.00000
     34       2.0038      2.00000
     35       2.1252      2.00000
     36       2.1803      2.00000
     37       2.2192      2.00000
     38       2.2444      2.00000
     39       2.3064      2.00000
     40       2.3948      2.00000
     41       2.4544      2.00000
     42       2.4916      2.00000
     43       2.5531      2.00000
     44       2.6208      2.00000
     45       2.6444      2.00000
     46       2.7281      2.00000
     47       2.7723      2.00000
     48       2.8239      2.00000
     49       2.8767      2.00000
     50       3.1345      2.00000
     51       3.1432      2.00000
     52       3.3447      2.00000
     53       3.4715      2.00000
     54       3.5756      2.00000
     55       3.6078      2.00000
     56       3.7755      2.00000
     57       4.3625      2.00000
     58       4.5616      2.00000
     59       5.1245      2.00000
     60       5.6193      2.01633
     61       5.7578      2.06931
     62       6.4055     -0.01944
     63       6.4967     -0.00368
     64       6.8328     -0.00000
     65       6.9961     -0.00000
     66       7.3768     -0.00000
     67       9.1036     -0.00000
     68       9.3455     -0.00000
     69      10.2435     -0.00000
     70      10.5536     -0.00000
     71      10.9145     -0.00000
     72      11.4139     -0.00000
     73      11.5651      0.00000
     74      11.8331      0.00000
     75      12.1768      0.00000
     76      12.6577      0.00000
     77      12.9300      0.00000
     78      13.0963      0.00000
     79      13.8995      0.00000
     80      14.2333      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1077      2.00000
      9      -0.3074      2.00000
     10      -0.1702      2.00000
     11       0.2345      2.00000
     12       0.4815      2.00000
     13       0.5474      2.00000
     14       0.5761      2.00000
     15       0.6558      2.00000
     16       0.7726      2.00000
     17       0.8575      2.00000
     18       0.9303      2.00000
     19       1.0185      2.00000
     20       1.0915      2.00000
     21       1.1225      2.00000
     22       1.1680      2.00000
     23       1.1923      2.00000
     24       1.2219      2.00000
     25       1.2545      2.00000
     26       1.3566      2.00000
     27       1.4845      2.00000
     28       1.5502      2.00000
     29       1.6382      2.00000
     30       1.6855      2.00000
     31       1.7917      2.00000
     32       1.8393      2.00000
     33       1.9686      2.00000
     34       2.0374      2.00000
     35       2.1011      2.00000
     36       2.1626      2.00000
     37       2.2201      2.00000
     38       2.2414      2.00000
     39       2.3034      2.00000
     40       2.3375      2.00000
     41       2.5263      2.00000
     42       2.6191      2.00000
     43       2.6445      2.00000
     44       2.7200      2.00000
     45       2.7346      2.00000
     46       2.7787      2.00000
     47       2.8189      2.00000
     48       2.9404      2.00000
     49       2.9972      2.00000
     50       3.0650      2.00000
     51       3.1383      2.00000
     52       3.2046      2.00000
     53       3.4254      2.00000
     54       3.4646      2.00000
     55       3.5664      2.00000
     56       3.7181      2.00000
     57       4.5307      2.00000
     58       4.7874      2.00000
     59       5.4081      2.00014
     60       5.9568      1.49157
     61       6.4790     -0.00529
     62       6.8112     -0.00000
     63       7.0905     -0.00000
     64       7.3884     -0.00000
     65       8.0490     -0.00000
     66       8.6669     -0.00000
     67       8.7594     -0.00000
     68       9.3392     -0.00000
     69       9.8323     -0.00000
     70       9.9194     -0.00000
     71      10.6613     -0.00000
     72      11.1715     -0.00000
     73      11.8779      0.00000
     74      12.1898      0.00000
     75      12.6531      0.00000
     76      13.2211      0.00000
     77      13.9564      0.00000
     78      14.0383      0.00000
     79      14.3662      0.00000
     80      14.4092      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.5482      2.00000
      9      -0.6242      2.00000
     10      -0.3823      2.00000
     11       0.1888      2.00000
     12       0.2318      2.00000
     13       0.4356      2.00000
     14       0.5248      2.00000
     15       0.5857      2.00000
     16       0.6314      2.00000
     17       0.6910      2.00000
     18       0.8073      2.00000
     19       0.9154      2.00000
     20       0.9441      2.00000
     21       0.9833      2.00000
     22       1.0467      2.00000
     23       1.1321      2.00000
     24       1.1604      2.00000
     25       1.2501      2.00000
     26       1.2714      2.00000
     27       1.3846      2.00000
     28       1.5915      2.00000
     29       1.6426      2.00000
     30       1.7081      2.00000
     31       1.7586      2.00000
     32       1.8202      2.00000
     33       1.8672      2.00000
     34       1.9906      2.00000
     35       2.0331      2.00000
     36       2.1202      2.00000
     37       2.3080      2.00000
     38       2.3446      2.00000
     39       2.4446      2.00000
     40       2.5141      2.00000
     41       2.5254      2.00000
     42       2.6052      2.00000
     43       2.6737      2.00000
     44       2.6991      2.00000
     45       2.7934      2.00000
     46       2.8438      2.00000
     47       2.9024      2.00000
     48       3.0494      2.00000
     49       3.0930      2.00000
     50       3.2109      2.00000
     51       3.2297      2.00000
     52       3.2983      2.00000
     53       3.4017      2.00000
     54       3.5886      2.00000
     55       3.7953      2.00000
     56       3.8152      2.00000
     57       3.9757      2.00000
     58       4.7506      2.00000
     59       5.6565      2.02831
     60       6.5577     -0.00091
     61       6.8459     -0.00000
     62       7.4459     -0.00000
     63       7.8282     -0.00000
     64       7.8856     -0.00000
     65       8.4198     -0.00000
     66       9.0507     -0.00000
     67       9.2231     -0.00000
     68       9.9863     -0.00000
     69      10.4729     -0.00000
     70      10.7229     -0.00000
     71      11.1364     -0.00000
     72      11.4769     -0.00000
     73      12.1330      0.00000
     74      12.6586      0.00000
     75      12.9997      0.00000
     76      13.3549      0.00000
     77      13.4941      0.00000
     78      13.9028      0.00000
     79      14.3168      0.00000
     80      14.5357      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6545      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6067      2.00000
      9      -0.7814      2.00000
     10      -0.6561      2.00000
     11       0.0672      2.00000
     12       0.1912      2.00000
     13       0.3580      2.00000
     14       0.3874      2.00000
     15       0.5661      2.00000
     16       0.6142      2.00000
     17       0.7275      2.00000
     18       0.7856      2.00000
     19       0.8474      2.00000
     20       0.9094      2.00000
     21       0.9256      2.00000
     22       1.0659      2.00000
     23       1.1146      2.00000
     24       1.1522      2.00000
     25       1.2447      2.00000
     26       1.2596      2.00000
     27       1.2702      2.00000
     28       1.4695      2.00000
     29       1.6036      2.00000
     30       1.6201      2.00000
     31       1.7477      2.00000
     32       1.7894      2.00000
     33       1.9125      2.00000
     34       2.1254      2.00000
     35       2.1581      2.00000
     36       2.3453      2.00000
     37       2.3551      2.00000
     38       2.3923      2.00000
     39       2.4387      2.00000
     40       2.4690      2.00000
     41       2.5364      2.00000
     42       2.6331      2.00000
     43       2.6652      2.00000
     44       2.7286      2.00000
     45       2.7995      2.00000
     46       2.8466      2.00000
     47       2.8967      2.00000
     48       2.9427      2.00000
     49       3.0397      2.00000
     50       3.1771      2.00000
     51       3.2255      2.00000
     52       3.3955      2.00000
     53       3.5904      2.00000
     54       3.6420      2.00000
     55       3.9560      2.00000
     56       4.0575      2.00000
     57       4.2319      2.00000
     58       4.4608      2.00000
     59       5.6794      2.03774
     60       6.2379     -0.06525
     61       6.6914     -0.00002
     62       7.5129     -0.00000
     63       7.8865     -0.00000
     64       8.1359     -0.00000
     65       8.8066     -0.00000
     66       9.3773     -0.00000
     67       9.5914     -0.00000
     68      10.7377     -0.00000
     69      10.8943     -0.00000
     70      11.4730     -0.00000
     71      11.9776      0.00000
     72      12.0784      0.00000
     73      12.5112      0.00000
     74      12.8906      0.00000
     75      13.0078      0.00000
     76      13.2895      0.00000
     77      13.4401      0.00000
     78      13.8989      0.00000
     79      14.0558      0.00000
     80      14.3364      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9162      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3889      2.00000
      9      -0.7296      2.00000
     10      -0.4706      2.00000
     11       0.1192      2.00000
     12       0.1873      2.00000
     13       0.4794      2.00000
     14       0.5492      2.00000
     15       0.6299      2.00000
     16       0.6363      2.00000
     17       0.7488      2.00000
     18       0.7691      2.00000
     19       0.9297      2.00000
     20       0.9351      2.00000
     21       0.9532      2.00000
     22       0.9828      2.00000
     23       1.1198      2.00000
     24       1.1629      2.00000
     25       1.1830      2.00000
     26       1.3699      2.00000
     27       1.3809      2.00000
     28       1.5158      2.00000
     29       1.6171      2.00000
     30       1.6317      2.00000
     31       1.7943      2.00000
     32       1.8428      2.00000
     33       1.9621      2.00000
     34       1.9885      2.00000
     35       2.1645      2.00000
     36       2.2030      2.00000
     37       2.2213      2.00000
     38       2.2571      2.00000
     39       2.3064      2.00000
     40       2.5357      2.00000
     41       2.5758      2.00000
     42       2.6239      2.00000
     43       2.6960      2.00000
     44       2.7430      2.00000
     45       2.8144      2.00000
     46       2.8975      2.00000
     47       2.9577      2.00000
     48       3.0036      2.00000
     49       3.1126      2.00000
     50       3.1568      2.00000
     51       3.1969      2.00000
     52       3.3109      2.00000
     53       3.4012      2.00000
     54       3.5586      2.00000
     55       3.7446      2.00000
     56       3.8998      2.00000
     57       4.0330      2.00000
     58       4.2877      2.00000
     59       6.2397     -0.06610
     60       6.6614     -0.00005
     61       7.1153     -0.00000
     62       7.3108     -0.00000
     63       8.0026     -0.00000
     64       8.2264     -0.00000
     65       8.3849     -0.00000
     66       8.7899     -0.00000
     67       9.5606     -0.00000
     68       9.8224     -0.00000
     69      10.1350     -0.00000
     70      10.3425     -0.00000
     71      10.8644     -0.00000
     72      11.3361     -0.00000
     73      12.0488      0.00000
     74      12.2061      0.00000
     75      12.6304      0.00000
     76      13.1380      0.00000
     77      13.5528      0.00000
     78      13.7480      0.00000
     79      14.3161      0.00000
     80      14.6207      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.9129      2.00000
      9      -0.4513      2.00000
     10       0.0451      2.00000
     11       0.0955      2.00000
     12       0.3973      2.00000
     13       0.4979      2.00000
     14       0.6469      2.00000
     15       0.6725      2.00000
     16       0.7388      2.00000
     17       0.7788      2.00000
     18       0.8193      2.00000
     19       0.9055      2.00000
     20       1.0200      2.00000
     21       1.0457      2.00000
     22       1.1242      2.00000
     23       1.2317      2.00000
     24       1.2735      2.00000
     25       1.2961      2.00000
     26       1.3798      2.00000
     27       1.4639      2.00000
     28       1.6733      2.00000
     29       1.6983      2.00000
     30       1.7862      2.00000
     31       1.8235      2.00000
     32       1.8527      2.00000
     33       1.9100      2.00000
     34       1.9716      2.00000
     35       1.9987      2.00000
     36       2.0290      2.00000
     37       2.2366      2.00000
     38       2.2964      2.00000
     39       2.3497      2.00000
     40       2.4822      2.00000
     41       2.5192      2.00000
     42       2.5702      2.00000
     43       2.6885      2.00000
     44       2.7072      2.00000
     45       2.7421      2.00000
     46       2.7622      2.00000
     47       2.8553      2.00000
     48       2.8806      2.00000
     49       2.9138      2.00000
     50       3.0737      2.00000
     51       3.1658      2.00000
     52       3.3309      2.00000
     53       3.3458      2.00000
     54       3.5853      2.00000
     55       3.7510      2.00000
     56       3.8225      2.00000
     57       4.0233      2.00000
     58       4.6280      2.00000
     59       4.8209      2.00000
     60       6.5737     -0.00061
     61       7.0545     -0.00000
     62       7.5073     -0.00000
     63       7.6240     -0.00000
     64       7.8438     -0.00000
     65       8.0301     -0.00000
     66       8.6856     -0.00000
     67       8.9083     -0.00000
     68       9.1843     -0.00000
     69       9.5784     -0.00000
     70       9.6008     -0.00000
     71       9.8016     -0.00000
     72      10.0864     -0.00000
     73      11.4877      0.00000
     74      11.7983      0.00000
     75      11.8772      0.00000
     76      12.9931      0.00000
     77      13.3807      0.00000
     78      13.9786      0.00000
     79      14.2208      0.00000
     80      14.5781      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3628      2.00000
      9      -0.1210      2.00000
     10       0.1041      2.00000
     11       0.1536      2.00000
     12       0.4183      2.00000
     13       0.5359      2.00000
     14       0.6101      2.00000
     15       0.6932      2.00000
     16       0.7706      2.00000
     17       0.8943      2.00000
     18       0.9366      2.00000
     19       1.0666      2.00000
     20       1.1190      2.00000
     21       1.1826      2.00000
     22       1.2121      2.00000
     23       1.3427      2.00000
     24       1.3925      2.00000
     25       1.4463      2.00000
     26       1.5066      2.00000
     27       1.6567      2.00000
     28       1.6996      2.00000
     29       1.7196      2.00000
     30       1.7384      2.00000
     31       1.8346      2.00000
     32       1.8727      2.00000
     33       1.9342      2.00000
     34       2.0085      2.00000
     35       2.1222      2.00000
     36       2.1623      2.00000
     37       2.2525      2.00000
     38       2.2776      2.00000
     39       2.3472      2.00000
     40       2.3955      2.00000
     41       2.4361      2.00000
     42       2.5267      2.00000
     43       2.5698      2.00000
     44       2.5945      2.00000
     45       2.6415      2.00000
     46       2.6788      2.00000
     47       2.7284      2.00000
     48       2.7922      2.00000
     49       2.8755      2.00000
     50       3.0755      2.00000
     51       3.1256      2.00000
     52       3.1779      2.00000
     53       3.2238      2.00000
     54       3.4881      2.00000
     55       3.5978      2.00000
     56       3.9586      2.00000
     57       4.6245      2.00000
     58       4.6996      2.00000
     59       5.1188      2.00000
     60       5.6462      2.02455
     61       5.7757      2.07086
     62       6.0862      0.45795
     63       6.3826     -0.02711
     64       6.9300     -0.00000
     65       7.6578     -0.00000
     66       8.4541     -0.00000
     67       9.0007     -0.00000
     68       9.3567     -0.00000
     69       9.4730     -0.00000
     70       9.8157     -0.00000
     71      10.6656     -0.00000
     72      11.0211     -0.00000
     73      11.3738     -0.00000
     74      11.7044      0.00000
     75      12.0773      0.00000
     76      12.4145      0.00000
     77      12.7557      0.00000
     78      13.6185      0.00000
     79      13.9622      0.00000
     80      14.1608      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4270      2.00000
      9      -0.1862      2.00000
     10       0.0385      2.00000
     11       0.1386      2.00000
     12       0.5278      2.00000
     13       0.5878      2.00000
     14       0.6785      2.00000
     15       0.7390      2.00000
     16       0.7963      2.00000
     17       0.8766      2.00000
     18       0.9529      2.00000
     19       1.0914      2.00000
     20       1.1086      2.00000
     21       1.1988      2.00000
     22       1.2734      2.00000
     23       1.2948      2.00000
     24       1.3639      2.00000
     25       1.4124      2.00000
     26       1.4650      2.00000
     27       1.5507      2.00000
     28       1.6679      2.00000
     29       1.7422      2.00000
     30       1.7734      2.00000
     31       1.8305      2.00000
     32       1.8477      2.00000
     33       1.9595      2.00000
     34       2.0597      2.00000
     35       2.0928      2.00000
     36       2.1312      2.00000
     37       2.2414      2.00000
     38       2.2779      2.00000
     39       2.2870      2.00000
     40       2.4375      2.00000
     41       2.4748      2.00000
     42       2.4774      2.00000
     43       2.5539      2.00000
     44       2.6244      2.00000
     45       2.6495      2.00000
     46       2.7035      2.00000
     47       2.7910      2.00000
     48       2.8027      2.00000
     49       2.8803      2.00000
     50       3.0904      2.00000
     51       3.1666      2.00000
     52       3.2499      2.00000
     53       3.4823      2.00000
     54       3.5620      2.00000
     55       3.6527      2.00000
     56       4.0614      2.00000
     57       4.5109      2.00000
     58       4.5625      2.00000
     59       4.8267      2.00000
     60       5.1682      2.00000
     61       5.6562      2.02820
     62       6.1374      0.16265
     63       6.4004     -0.02102
     64       7.5645     -0.00000
     65       7.7346     -0.00000
     66       8.0279     -0.00000
     67       8.4168     -0.00000
     68       8.9555     -0.00000
     69       9.6310     -0.00000
     70      10.2582     -0.00000
     71      10.3995     -0.00000
     72      11.2685     -0.00000
     73      11.6904      0.00000
     74      12.2855      0.00000
     75      12.4672      0.00000
     76      12.6256      0.00000
     77      13.3621      0.00000
     78      13.6110      0.00000
     79      14.1726      0.00000
     80      14.3105      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0474      2.00000
      9      -0.4630      2.00000
     10      -0.0797      2.00000
     11       0.3273      2.00000
     12       0.4425      2.00000
     13       0.5140      2.00000
     14       0.5668      2.00000
     15       0.6442      2.00000
     16       0.7476      2.00000
     17       0.8188      2.00000
     18       0.9203      2.00000
     19       0.9912      2.00000
     20       1.0218      2.00000
     21       1.0961      2.00000
     22       1.1849      2.00000
     23       1.2101      2.00000
     24       1.3150      2.00000
     25       1.3388      2.00000
     26       1.3601      2.00000
     27       1.4387      2.00000
     28       1.5048      2.00000
     29       1.6028      2.00000
     30       1.7670      2.00000
     31       1.8408      2.00000
     32       1.8616      2.00000
     33       1.9292      2.00000
     34       1.9862      2.00000
     35       2.0409      2.00000
     36       2.1207      2.00000
     37       2.1926      2.00000
     38       2.2585      2.00000
     39       2.3290      2.00000
     40       2.4493      2.00000
     41       2.4927      2.00000
     42       2.5085      2.00000
     43       2.6491      2.00000
     44       2.6816      2.00000
     45       2.7621      2.00000
     46       2.8011      2.00000
     47       2.8501      2.00000
     48       2.9274      2.00000
     49       3.0225      2.00000
     50       3.0822      2.00000
     51       3.1486      2.00000
     52       3.2208      2.00000
     53       3.3239      2.00000
     54       3.4861      2.00000
     55       3.6504      2.00000
     56       3.8499      2.00000
     57       4.7570      2.00000
     58       5.2108      2.00000
     59       5.3398      2.00002
     60       5.5986      2.01155
     61       6.3419     -0.04430
     62       6.5411     -0.00136
     63       7.2855     -0.00000
     64       7.3876     -0.00000
     65       7.6646     -0.00000
     66       8.0578     -0.00000
     67       8.8548     -0.00000
     68       9.6511     -0.00000
     69       9.9803     -0.00000
     70      10.4974     -0.00000
     71      10.6808     -0.00000
     72      11.0085     -0.00000
     73      11.3044     -0.00000
     74      12.4637      0.00000
     75      13.0217      0.00000
     76      13.2967      0.00000
     77      13.5928      0.00000
     78      14.1261      0.00000
     79      14.2247      0.00000
     80      14.8601      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.4864      2.00000
      9      -0.7341      2.00000
     10      -0.3583      2.00000
     11       0.1609      2.00000
     12       0.2189      2.00000
     13       0.4628      2.00000
     14       0.5318      2.00000
     15       0.6081      2.00000
     16       0.6321      2.00000
     17       0.6632      2.00000
     18       0.8229      2.00000
     19       0.8790      2.00000
     20       0.9367      2.00000
     21       0.9777      2.00000
     22       0.9953      2.00000
     23       1.1440      2.00000
     24       1.1815      2.00000
     25       1.2469      2.00000
     26       1.3224      2.00000
     27       1.4355      2.00000
     28       1.5468      2.00000
     29       1.5955      2.00000
     30       1.6155      2.00000
     31       1.6900      2.00000
     32       1.8948      2.00000
     33       1.9634      2.00000
     34       2.0175      2.00000
     35       2.0917      2.00000
     36       2.1937      2.00000
     37       2.2568      2.00000
     38       2.3323      2.00000
     39       2.3531      2.00000
     40       2.4536      2.00000
     41       2.4719      2.00000
     42       2.6316      2.00000
     43       2.6735      2.00000
     44       2.7528      2.00000
     45       2.7775      2.00000
     46       2.8284      2.00000
     47       2.9642      2.00000
     48       2.9862      2.00000
     49       3.1163      2.00000
     50       3.1520      2.00000
     51       3.1976      2.00000
     52       3.3047      2.00000
     53       3.3795      2.00000
     54       3.6122      2.00000
     55       3.7797      2.00000
     56       3.8306      2.00000
     57       4.6178      2.00000
     58       5.1303      2.00000
     59       5.6777      2.03697
     60       6.1360      0.16881
     61       6.4427     -0.01051
     62       6.9191     -0.00000
     63       7.2602     -0.00000
     64       7.9401     -0.00000
     65       8.8962     -0.00000
     66       8.9853     -0.00000
     67       9.2234     -0.00000
     68       9.9806     -0.00000
     69      10.0533     -0.00000
     70      11.7026      0.00000
     71      11.9106      0.00000
     72      12.1188      0.00000
     73      12.2367      0.00000
     74      12.4569      0.00000
     75      12.8932      0.00000
     76      13.2930      0.00000
     77      13.5652      0.00000
     78      13.8118      0.00000
     79      13.9556      0.00000
     80      14.4589      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.164  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.364  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.021   0.010   0.029   0.011   0.006  -1.168  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.072  -0.270   0.020  -0.182  -0.014  -1.058   0.225  -0.011   0.145  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.029  -0.270   2.653   0.008  -0.313  -0.025   0.225  -0.697  -0.018   0.230   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.020   0.008   2.942   0.016  -0.042  -0.011  -0.018  -1.105  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.313   0.016   3.078  -0.013   0.145   0.230  -0.007  -1.015  -0.140   0.067   0.046  -0.009   0.020   0.008
 -1.168  -0.014  -0.025  -0.042  -0.013   1.221   0.018   0.020   0.068   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.014  -1.058   0.225  -0.011   0.145   0.018   0.978  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.697  -0.018   0.230   0.020  -0.181   0.677   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.011  -0.018  -1.105  -0.007   0.068   0.003   0.025   1.165   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.230  -0.007  -1.015   0.018  -0.108  -0.160   0.001   0.907   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.069   0.084  -0.020  -0.140  -0.016   0.063  -0.092   0.020   0.131   2.091  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.011  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.67: real time    1.68
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.91: real time    6.93
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction         EDDAV:  cpu time   18.86: real time   18.91
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.61: real time   20.68

 eigenvalue-minimisations  :  8672
 total energy-change (2. order) : 0.1079237E-04  (-0.2210337E-04)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0606017 magnetization 

 Broyden mixing:
  rms(total) = 0.41164E-02    rms(broyden)= 0.41162E-02
  rms(prec ) = 0.42231E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4959
  2.0824  2.0824  0.9156  0.9033

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.80809207
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.37231780
  PAW double counting   =      9472.97784208    -9400.75583660
  entropy T*S    EENTRO =         0.00467530
  eigenvalues    EBANDS =      -340.65939973
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87499640 eV

  energy without entropy =      -49.87967170  energy(sigma->0) =      -49.87655483
  0.243661853  0.100369957  0.080568340
    -3.909962297  8.755399768  0.917600677     0.002766289  0.115176484  0.002615438
    -2.321883793 -0.106709322  7.154980713    -0.005179513 -0.016758396  0.137832027

  length of vectors
     4.102789263  9.632591617  7.523049929     0.275565753  0.115239382  0.138943654


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.158E+03 0.255E+02   0.385E+01 0.161E+03 -.258E+02   -.165E+00 -.282E+01 0.298E+00   -.907E-05 0.642E-06 0.440E-04
   0.369E+01 0.158E+03 -.255E+02   -.385E+01 -.161E+03 0.258E+02   0.165E+00 0.282E+01 -.298E+00   0.828E-05 0.114E-05 -.450E-04
   0.313E+01 0.145E+03 0.754E+01   -.323E+01 -.146E+03 -.736E+01   0.942E-01 0.128E+01 -.178E+00   0.134E-05 0.756E-04 0.605E-04
   -.848E-01 -.684E+02 -.415E+02   0.914E-01 0.681E+02 0.423E+02   -.725E-02 0.336E+00 -.852E+00   0.447E-05 0.614E-04 -.263E-04
   0.626E+01 0.972E+02 -.971E+02   -.633E+01 -.985E+02 0.985E+02   0.637E-01 0.126E+01 -.139E+01   0.325E-05 -.117E-04 0.253E-04
   -.150E-01 0.283E-02 -.132E-01   0.150E-01 -.298E-02 0.133E-01   0.298E-03 0.531E-04 -.556E-04   0.226E-07 -.527E-06 -.153E-05
   -.623E+01 -.972E+02 0.972E+02   0.629E+01 0.985E+02 -.986E+02   -.645E-01 -.126E+01 0.139E+01   -.310E-05 0.100E-04 -.251E-04
   -.312E+01 -.145E+03 -.754E+01   0.321E+01 0.146E+03 0.737E+01   -.947E-01 -.128E+01 0.178E+00   -.111E-05 -.766E-04 -.611E-04
   0.540E-01 0.684E+02 0.415E+02   -.611E-01 -.681E+02 -.423E+02   0.830E-02 -.336E+00 0.852E+00   -.502E-05 -.606E-04 0.260E-04
   0.656E-02 0.307E-02 -.141E-02   -.640E-02 -.314E-02 0.125E-02   -.152E-03 0.120E-03 0.889E-04   0.690E-06 -.138E-05 0.239E-06
   0.933E+00 0.960E+01 -.281E+02   -.939E+00 -.941E+01 0.280E+02   0.511E-02 -.189E+00 0.999E-01   0.146E-05 0.910E-07 -.795E-05
   -.944E+00 -.960E+01 0.281E+02   0.949E+00 0.941E+01 -.280E+02   -.494E-02 0.190E+00 -.999E-01   -.147E-05 -.272E-06 0.798E-05
   0.758E+00 -.917E+01 -.205E+02   -.714E+00 0.921E+01 0.202E+02   -.438E-01 -.400E-01 0.271E+00   -.144E-05 -.235E-05 -.130E-04
   -.169E+01 -.621E+02 0.432E+01   0.169E+01 0.620E+02 -.458E+01   0.499E-02 0.692E-01 0.250E+00   -.160E-05 -.118E-04 -.112E-04
   -.755E+00 0.918E+01 0.205E+02   0.711E+00 -.922E+01 -.202E+02   0.436E-01 0.402E-01 -.271E+00   0.198E-05 0.311E-05 0.129E-04
   0.169E+01 0.621E+02 -.432E+01   -.168E+01 -.620E+02 0.457E+01   -.483E-02 -.690E-01 -.250E+00   0.162E-05 0.118E-04 0.113E-04
 -----------------------------------------------------------------------------------------------
   -.122E-03 0.158E-04 -.289E-04   0.164E-13 -.639E-13 0.782E-13   0.154E-03 0.898E-03 0.519E-04   0.291E-06 -.136E-05 -.305E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07086      6.36041      7.88851        -0.000036     -0.003244     -0.001367
     -2.91091      8.15263      4.53413         0.000043      0.003058      0.001274
     -1.04442      1.16116      4.62328         0.000462      0.000259      0.000718
     -2.90176      5.24101      2.40560        -0.000630      0.001687     -0.012191
      1.19225      1.83222      0.30981         0.000008      0.002111      0.004748
     -3.08547      2.92963      5.68170         0.000278     -0.000162      0.000112
     -0.94214      4.03204      4.04027        -0.000621     -0.001913     -0.005210
     -1.02737      4.59653      6.88163        -0.000683     -0.000600     -0.000392
      3.15169      0.62320      1.94436         0.001144     -0.001649      0.012351
     -5.04032      7.30738      6.14046         0.000013     -0.000008     -0.000071
     -0.84864      3.63640      1.26145        -0.000236     -0.001136     -0.002044
      1.09850      2.22795      3.08858         0.000233      0.001340      0.002022
     -0.85035      6.70264      3.45600         0.000127      0.002670     -0.003149
     -2.99620      5.53086      5.14441        -0.000838      0.000861     -0.004760
     -2.80959      7.91708      1.81163        -0.000242     -0.002412      0.003222
      0.92437      0.22672      6.36057         0.000978     -0.000861      0.004736
 -----------------------------------------------------------------------------------
    total drift:                                0.000032      0.000913      0.000020


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87768084 eV

  energy  without entropy=      -49.88258345  energy(sigma->0) =      -49.87931504
 
 d Force = 0.4498501E-04[ 0.382E-04, 0.518E-04]  d Energy = 0.6597146E-04-0.210E-04
 d Force =-0.3012162E+00[-0.302E+00,-0.300E+00]  d Ewald  = 0.1250557E+01-0.155E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000066  1 .order   -0.000064   -0.000091   -0.000037
  (g-gl).g = 0.792E-04      g.g   = 0.796E-04  gl.gl    = 0.845E-04
 g(Force)  = 0.300E-04   g(Stress)= 0.496E-04 ortho     = 0.423E-06
 gamma     =   0.93709
 trial     =   1.13250
 opt step  =   1.69511  (harmonic =   1.90786) maximal distance =0.00143403
 next E    =   -49.877690   (d E  =  -0.00008)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.73
     LOOP+:  cpu time  159.27: real time  160.42


----------------------------------------- Iteration   12(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.58: real time   15.65
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.31: real time   17.39

 eigenvalue-minimisa     EDDAV:  cpu time   18.30: real time   18.35
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.05: real time   20.11

 eigenvalue-minimisations  :  8320
 total energy-change (2. order) :-0.1406806E-05  (-0.1414084E-05)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0607088 magnetization 

 Broyden mixing:
  rms(total) = 0.14226E-02    rms(broyden)= 0.14225E-02
  rms(prec ) = 0.14743E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5343
  2.5391  2.2222  1.0413  1.0413  0.8274

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.81503158
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.37323422
  PAW double counting   =      9472.93176818    -9400.71848370
  entropy T*S    EENTRO =         0.00467199
  eigenvalues    EBANDS =      -340.64465374
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
     EDDAV:  cpu time   17.23: real time   17.32
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.99: real time   19.09

 eigenvalue-minimisations  :  7712
 total energy-change (2. order) : 0.1103336E-03  (-0.6101156E-04)
 number of electron     120.0000047 magnetization 
     EDDAV:  cpu time   18.46: real time   18.51
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.20: real time   20.26

 eigenvalue-minimisations  :  8432
 total energy-change (2. order) : 0.8536881E-07  (-0.1446937E-06)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0609232 magnetization 

 Broyden mixing:
  rms(total) = 0.22491E-03    rms(broyden)= 0.22484E-03
  rms(prec ) = 0.25889E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4507
  2.4287  2.1488  1.4329  0.9527  0.9527  0.7885

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.80003970
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.37294615
  PAW double counting   =      9472.81946511    -9400.61107257
  entropy T*S    EENTRO =         0.00467098
  eigenvalues    EBANDS =      -340.65446451
  atomic energy  EATOM  =      9754.20957531
  ------------     EDDAV:  cpu time   19.65: real time   19.74
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.40: real time   21.50

 eigenvalue-minimisations  :  9168
 total energy-change (2. order) :-0.4321519E-06  (-0.2268905E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516577 magn     EDDAV:  cpu time   14.29: real time   14.33
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   16.03: real time   16.09

 eigenvalue-minimisations  :  5792
 total energy-change (2. order) :-0.1191493E-06  (-0.1580678E-07)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0608937 magnetization 

 Broyden mixing:
  rms(total) = 0.12381E-03    rms(broyden)= 0.12380E-03
  rms(prec ) = 0.13433E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5006
  2.3938  2.3938  2.0194  0.9943  0.9943  0.9257  0.7828

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.80111269
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.37288700
  PAW double counting   =      9472.79242007    -9400.58425583
  entropy T*S    EENTRO =         0.00467189
  eigenvalues    EBANDS =      -340.65310510
  atomic energy  EA     EDDAV:  cpu time   17.79: real time   17.87
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.52: real time   19.61

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) :-0.1165305E-05  (-0.3739824E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516853 magnetization 

 Broyden mixing:
  rms(total     EDDAV:  cpu time   13.51: real time   13.55
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.25: real time   15.30

 eigenvalue-minimisations  :  5312
 total energy-change (2. order) :-0.1270546E-06  (-0.3597518E-08)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0608680 magnetization 

 Broyden mixing:
  rms(total) = 0.25601E-04    rms(broyden)= 0.25596E-04
  rms(prec ) = 0.32142E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5075
  2.6159  2.5347  2.0324  1.2371  0.9770  0.9770  0.8088  0.8775

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.07280258
  Ewald energy   TEWEN  =     -8356.28888107
  -1/2 Hartree   DENC   =     -1867.80052940
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.37277258
  PAW double counting   =      9472.75514577    -9400.54769177
  entropy T*S    EENTRO =         0.00467222
  eigenvalues    EBANDS      EDDAV:  cpu time   19.58: real time   19.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.32: real time   21.42

 eigenvalue-minimisations  :  9120
 total energy-change (2. order) :-0.5456404E-06  (-0.7810701E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516377 magnetization 

 Broyden mixing:
  rms(total) = 0.13071E-03    rms(broyden)= 0.13061E-03
  rms(prec ) = 0.15291E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2610
  2.3291  1.0654  0.8247  0.8247

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91266308
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46888743
  PAW double counting   =      9487.40610929    -9415.37966696
  entropy T*S    EENTRO =         0.00489180
  eigenvalues    EBANDS =      -338.40461919
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769007 eV

  energy without entropy =      -49.88258188  energy(sigma->0) =      -49.87932067
     9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87499799 eV

  energy without entropy =      -49.87967004  energy(sigma->0) =      -49.87655534


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4789       2 -67.4790       3 -67.5645       4 -67.5210       5 -67.5497
       6 -67.6112       7 -67.5498       8 -67.5644       9 -67.5211      10 -58.9431
      11 -59.0298      12 -59.0297      13 -58.7152      14 -58.7774      15 -58.7150
      16 -58.7773
 
 
 
 E-fermi :   5.9837     XC(G=0): -10.7379     alpha+bet :-12.3370


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9438      2.00000
      2     -39.9370      2.00000
      3     -39.8491      2.00000
      4     -39.6840      2.00000
      5     -39.6837      2.00000
      6     -39.6274      2.00000
      7     -39.6131      2.00000
      8      -1.9414      2.00000
      9      -0.6360      2.00000
     10      -0.1318      2.00000
     11       0.1621      2.00000
     12       0.2611      2.00000
     13       0.3001      2.00000
     14       0.4275      2.00000
     15       0.5281      2.00000
     16       0.6080      2.00000
     17       0.6339      2.00000
     18       0.6707      2.00000
     19       0.7420      2.00000
     20       0.8871      2.00000
     21       0.9389      2.00000
     22       1.0382      2.00000
     23       1.0887      2.00000
     24       1.1761      2.00000
     25       1.2016      2.00000
     26       1.2746      2.00000
     27       1.3053      2.00000
     28       1.5664      2.00000
     29       1.6394      2.00000
     30       1.6981      2.00000
     31       1.7307      2.00000
     32       1.7747      2.00000
     33       1.9094      2.00000
     34       1.9210      2.00000
     35       2.1370      2.00000
     36       2.1508      2.00000
     37       2.2506      2.00000
     38       2.2840      2.00000
     39       2.4212      2.00000
     40       2.5123      2.00000
     41       2.5634      2.00000
     42       2.6123      2.00000
     43       2.6931      2.00000
     44       2.8472      2.00000
     45       2.8713      2.00000
     46       2.8833      2.00000
     47       2.9655      2.00000
     48       3.0108      2.00000
     49       3.0913      2.00000
     50       3.1197      2.00000
     51       3.3060      2.00000
     52       3.3426      2.00000
     53       3.4665      2.00000
     54       3.5591      2.00000
     55       3.8655      2.00000
     56       4.0334      2.00000
     57       4.1817      2.00000
     58       4.2327      2.00000
     59       4.8957      2.00000
     60       5.6073      2.02297
     61       6.2188     -0.07011
     62       8.2531     -0.00000
     63       8.2890     -0.00000
     64       8.3362     -0.00000
     65       8.9623     -0.00000
     66       9.5944     -0.00000
     67      10.3051     -0.00000
     68      10.7150     -0.00000
     69      11.3952     -0.00000
     70      11.7301      0.00000
     71      11.7665      0.00000
     72      12.0659      0.00000
     73      12.1924      0.00000
     74      12.3430      0.00000
     75      12.4125      0.00000
     76      12.6975      0.00000
     77      13.2334      0.00000
     78      13.5931      0.00000
     79      13.7286      0.00000
     80      14.5915      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.6689      2.00000
      9      -0.5691      2.00000
     10      -0.2722      2.00000
     11       0.2528      2.00000
     12       0.2823      2.00000
     13       0.3856      2.00000
     14       0.4651      2.00000
     15       0.5931      2.00000
     16       0.6114      2.00000
     17       0.7340      2.00000
     18       0.8144      2.00000
     19       0.9096      2.00000
     20       0.9372      2.00000
     21       0.9634      2.00000
     22       1.0944      2.00000
     23       1.1077      2.00000
     24       1.1857      2.00000
     25       1.2308      2.00000
     26       1.3452      2.00000
     27       1.3747      2.00000
     28       1.4810      2.00000
     29       1.6154      2.00000
     30       1.6486      2.00000
     31       1.7418      2.00000
     32       1.8037      2.00000
     33       1.8347      2.00000
     34       1.9908      2.00000
     35       2.0116      2.00000
     36       2.1477      2.00000
     37       2.2404      2.00000
     38       2.3463      2.00000
     39       2.4383      2.00000
     40       2.4761      2.00000
     41       2.5381      2.00000
     42       2.5840      2.00000
     43       2.6648      2.00000
     44       2.7084      2.00000
     45       2.7832      2.00000
     46       2.7952      2.00000
     47       2.8939      2.00000
     48       3.0372      2.00000
     49       3.0969      2.00000
     50       3.1659      2.00000
     51       3.2102      2.00000
     52       3.2594      2.00000
     53       3.3934      2.00000
     54       3.5861      2.00000
     55       3.6793      2.00000
     56       3.8205      2.00000
     57       4.0786      2.00000
     58       4.5423      2.00000
     59       5.4490      2.00103
     60       6.2068     -0.06666
     61       6.7592     -0.00000
     62       7.1048     -0.00000
     63       7.6981     -0.00000
     64       8.2524     -0.00000
     65       8.5334     -0.00000
     66       8.6786     -0.00000
     67       9.6441     -0.00000
     68      10.2208     -0.00000
     69      10.5617     -0.00000
     70      10.6356     -0.00000
     71      11.0961     -0.00000
     72      11.6857      0.00000
     73      12.4855      0.00000
     74      12.8363      0.00000
     75      13.1559      0.00000
     76      13.2616      0.00000
     77      13.4292      0.00000
     78      13.8288      0.00000
     79      14.4094      0.00000
     80      14.6247      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6158      2.00000
      8      -1.0294      2.00000
      9      -0.4169      2.00000
     10      -0.1232      2.00000
     11       0.3196      2.00000
     12       0.4160      2.00000
     13       0.4938      2.00000
     14       0.5850      2.00000
     15       0.6470      2.00000
     16       0.7247      2.00000
     17       0.8340      2.00000
     18       0.9040      2.00000
     19       0.9826      2.00000
     20       1.0327      2.00000
     21       1.0706      2.00000
     22       1.1685      2.00000
     23       1.2231      2.00000
     24       1.2725      2.00000
     25       1.3017      2.00000
     26       1.3525      2.00000
     27       1.4480      2.00000
     28       1.5439      2.00000
     29       1.5990      2.00000
     30       1.7150      2.00000
     31       1.7992      2.00000
     32       1.8410      2.00000
     33       1.9398      2.00000
     34       1.9906      2.00000
     35       2.0959      2.00000
     36       2.1030      2.00000
     37       2.1658      2.00000
     38       2.2323      2.00000
     39       2.2898      2.00000
     40       2.3908      2.00000
     41       2.4614      2.00000
     42       2.5124      2.00000
     43       2.6297      2.00000
     44       2.6591      2.00000
     45       2.7212      2.00000
     46       2.7791      2.00000
     47       2.8212      2.00000
     48       2.9008      2.00000
     49       2.9946      2.00000
     50       3.0748      2.00000
     51       3.1217      2.00000
     52       3.2240      2.00000
     53       3.3320      2.00000
     54       3.4302      2.00000
     55       3.5499      2.00000
     56       3.8007      2.00000
     57       4.5967      2.00000
     58       4.9607      2.00000
     59       5.4090      2.00037
     60       5.7527      2.06926
     61       6.4232     -0.00803
     62       6.7893     -0.00000
     63       6.9565     -0.00000
     64       7.4717     -0.00000
     65       7.9861     -0.00000
     66       8.3255     -0.00000
     67       8.7030     -0.00000
     68       9.3922     -0.00000
     69       9.7971     -0.00000
     70      10.2872     -0.00000
     71      10.4607     -0.00000
     72      10.7299     -0.00000
     73      11.3887     -0.00000
     74      12.1905      0.00000
     75      13.0836      0.00000
     76      13.5663      0.00000
     77      13.6717      0.00000
     78      13.8149      0.00000
     79      14.2866      0.00000
     80      14.6610      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9395      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3912      2.00000
      9      -0.1070      2.00000
     10       0.0820      2.00000
     11       0.1648      2.00000
     12       0.4772      2.00000
     13       0.5013      2.00000
     14       0.5570      2.00000
     15       0.6259      2.00000
     16       0.8280      2.00000
     17       0.9100      2.00000
     18       0.9269      2.00000
     19       1.1009      2.00000
     20       1.1528      2.00000
     21       1.1853      2.00000
     22       1.2511      2.00000
     23       1.3656      2.00000
     24       1.3872      2.00000
     25       1.3982      2.00000
     26       1.4673      2.00000
     27       1.5031      2.00000
     28       1.6369      2.00000
     29       1.6719      2.00000
     30       1.7221      2.00000
     31       1.7872      2.00000
     32       1.8971      2.00000
     33       1.9316      2.00000
     34       2.0469      2.00000
     35       2.1298      2.00000
     36       2.1482      2.00000
     37       2.1680      2.00000
     38       2.2551      2.00000
     39       2.2984      2.00000
     40       2.3433      2.00000
     41       2.4409      2.00000
     42       2.4567      2.00000
     43       2.5230      2.00000
     44       2.6133      2.00000
     45       2.6571      2.00000
     46       2.7319      2.00000
     47       2.7843      2.00000
     48       2.8273      2.00000
     49       2.8988      2.00000
     50       3.0407      2.00000
     51       3.1448      2.00000
     52       3.2430      2.00000
     53       3.3407      2.00000
     54       3.5296      2.00000
     55       3.6159      2.00000
     56       3.7924      2.00000
     57       4.1191      2.00000
     58       4.2516      2.00000
     59       5.1073      2.00000
     60       5.8478      1.90509
     61       6.0389      0.55201
     62       6.1095      0.13471
     63       6.7989     -0.00000
     64       7.0329     -0.00000
     65       7.6608     -0.00000
     66       8.1725     -0.00000
     67       8.4481     -0.00000
     68       8.7977     -0.00000
     69       9.4534     -0.00000
     70       9.7646     -0.00000
     71      10.4895     -0.00000
     72      10.8864     -0.00000
     73      11.1793     -0.00000
     74      11.7227      0.00000
     75      12.2617      0.00000
     76      12.6806      0.00000
     77      13.4207      0.00000
     78      13.7431      0.00000
     79      13.9194      0.00000
     80      14.5925      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6188      2.00000
      8      -0.4461      2.00000
      9      -0.1772      2.00000
     10       0.0336      2.00000
     11       0.1374      2.00000
     12       0.4969      2.00000
     13       0.5210      2.00000
     14       0.6925      2.00000
     15       0.7349      2.00000
     16       0.8666      2.00000
     17       0.9028      2.00000
     18       0.9847      2.00000
     19       1.0648      2.00000
     20       1.0813      2.00000
     21       1.2374      2.00000
     22       1.2626      2.00000
     23       1.3203      2.00000
     24       1.3771      2.00000
     25       1.3890      2.00000
     26       1.4409      2.00000
     27       1.4769      2.00000
     28       1.6531      2.00000
     29       1.6934      2.00000
     30       1.7378      2.00000
     31       1.7857      2.00000
     32       1.8667      2.00000
     33       1.8884      2.00000
     34       2.0192      2.00000
     35       2.0599      2.00000
     36       2.1266      2.00000
     37       2.1443      2.00000
     38       2.2104      2.00000
     39       2.3141      2.00000
     40       2.4249      2.00000
     41       2.4465      2.00000
     42       2.5195      2.00000
     43       2.5592      2.00000
     44       2.6024      2.00000
     45       2.6612      2.00000
     46       2.7110      2.00000
     47       2.7919      2.00000
     48       2.8283      2.00000
     49       2.8841      2.00000
     50       3.0796      2.00000
     51       3.1580      2.00000
     52       3.1840      2.00000
     53       3.4877      2.00000
     54       3.5229      2.00000
     55       3.7227      2.00000
     56       4.1693      2.00000
     57       4.3644      2.00000
     58       4.5465      2.00000
     59       4.7017      2.00000
     60       5.1345      2.00000
     61       5.5442      2.00803
     62       6.0574      0.42106
     63       6.0966      0.19306
     64       7.0420     -0.00000
     65       8.2433     -0.00000
     66       8.4102     -0.00000
     67       8.8995     -0.00000
     68       9.1635     -0.00000
     69       9.2795     -0.00000
     70       9.8959     -0.00000
     71      10.4045     -0.00000
     72      10.5392     -0.00000
     73      11.2769     -0.00000
     74      11.8203      0.00000
     75      12.4985      0.00000
     76      13.1754      0.00000
     77      13.5253      0.00000
     78      13.8546      0.00000
     79      14.0978      0.00000
     80      14.3654      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6159      2.00000
      8      -1.1622      2.00000
      9      -0.4759      2.00000
     10       0.0221      2.00000
     11       0.1475      2.00000
     12       0.5117      2.00000
     13       0.5908      2.00000
     14       0.6396      2.00000
     15       0.6799      2.00000
     16       0.8151      2.00000
     17       0.8266      2.00000
     18       0.8640      2.00000
     19       0.9576      2.00000
     20       1.0829      2.00000
     21       1.1258      2.00000
     22       1.1732      2.00000
     23       1.2012      2.00000
     24       1.2948      2.00000
     25       1.3384      2.00000
     26       1.3854      2.00000
     27       1.4383      2.00000
     28       1.4677      2.00000
     29       1.6196      2.00000
     30       1.7272      2.00000
     31       1.7472      2.00000
     32       1.8214      2.00000
     33       1.8886      2.00000
     34       1.9430      2.00000
     35       2.0365      2.00000
     36       2.1423      2.00000
     37       2.1942      2.00000
     38       2.2800      2.00000
     39       2.3346      2.00000
     40       2.4209      2.00000
     41       2.4950      2.00000
     42       2.5389      2.00000
     43       2.5816      2.00000
     44       2.6435      2.00000
     45       2.7510      2.00000
     46       2.7689      2.00000
     47       2.8501      2.00000
     48       2.8625      2.00000
     49       3.0196      2.00000
     50       3.0664      2.00000
     51       3.1098      2.00000
     52       3.1994      2.00000
     53       3.3021      2.00000
     54       3.5053      2.00000
     55       3.6755      2.00000
     56       4.0712      2.00000
     57       4.4088      2.00000
     58       4.8316      2.00000
     59       5.4422      2.00087
     60       5.6438      2.03715
     61       6.0361      0.57326
     62       6.3466     -0.02774
     63       6.9510     -0.00000
     64       7.1743     -0.00000
     65       7.5426     -0.00000
     66       8.1385     -0.00000
     67       9.0488     -0.00000
     68       9.2746     -0.00000
     69      10.1874     -0.00000
     70      10.9619     -0.00000
     71      11.3159     -0.00000
     72      11.6622      0.00000
     73      12.0599      0.00000
     74      12.3123      0.00000
     75      12.6991      0.00000
     76      13.3397      0.00000
     77      13.5557      0.00000
     78      13.8620      0.00000
     79      14.2174      0.00000
     80      14.3598      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6839      2.00000
      5     -39.6837      2.00000
      6     -39.6267      2.00000
      7     -39.6139      2.00000
      8      -1.7545      2.00000
      9      -0.6232      2.00000
     10       0.0417      2.00000
     11       0.1689      2.00000
     12       0.3256      2.00000
     13       0.3329      2.00000
     14       0.4113      2.00000
     15       0.6201      2.00000
     16       0.6387      2.00000
     17       0.7326      2.00000
     18       0.8124      2.00000
     19       0.8835      2.00000
     20       0.9040      2.00000
     21       1.0470      2.00000
     22       1.0655      2.00000
     23       1.1370      2.00000
     24       1.2079      2.00000
     25       1.2685      2.00000
     26       1.2877      2.00000
     27       1.3252      2.00000
     28       1.4582      2.00000
     29       1.6524      2.00000
     30       1.6698      2.00000
     31       1.7560      2.00000
     32       1.8217      2.00000
     33       1.8769      2.00000
     34       1.9009      2.00000
     35       2.0675      2.00000
     36       2.1412      2.00000
     37       2.2512      2.00000
     38       2.3006      2.00000
     39       2.3625      2.00000
     40       2.4677      2.00000
     41       2.5014      2.00000
     42       2.5868      2.00000
     43       2.7154      2.00000
     44       2.7737      2.00000
     45       2.8039      2.00000
     46       2.8479      2.00000
     47       2.9051      2.00000
     48       3.0050      2.00000
     49       3.0774      2.00000
     50       3.1116      2.00000
     51       3.1762      2.00000
     52       3.2343      2.00000
     53       3.4087      2.00000
     54       3.6474      2.00000
     55       3.7711      2.00000
     56       3.9100      2.00000
     57       4.0828      2.00000
     58       4.8092      2.00000
     59       5.0476      2.00000
     60       5.5556      2.00989
     61       6.6368     -0.00004
     62       7.1585     -0.00000
     63       7.6934     -0.00000
     64       8.1805     -0.00000
     65       8.7943     -0.00000
     66       8.9528     -0.00000
     67       9.3589     -0.00000
     68      10.1650     -0.00000
     69      10.7298     -0.00000
     70      10.7593     -0.00000
     71      11.3589     -0.00000
     72      12.4398      0.00000
     73      12.8111      0.00000
     74      13.0751      0.00000
     75      13.2434      0.00000
     76      13.3641      0.00000
     77      13.7396      0.00000
     78      13.8363      0.00000
     79      14.2174      0.00000
     80      14.3349      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9438      2.00000
      2     -39.9370      2.00000
      3     -39.8491      2.00000
      4     -39.6841      2.00000
      5     -39.6836      2.00000
      6     -39.6273      2.00000
      7     -39.6131      2.00000
      8      -1.8563      2.00000
      9      -0.8964      2.00000
     10      -0.0339      2.00000
     11       0.1542      2.00000
     12       0.2080      2.00000
     13       0.3024      2.00000
     14       0.4198      2.00000
     15       0.5799      2.00000
     16       0.6106      2.00000
     17       0.6253      2.00000
     18       0.6907      2.00000
     19       0.7722      2.00000
     20       0.8348      2.00000
     21       0.9306      2.00000
     22       1.0271      2.00000
     23       1.0680      2.00000
     24       1.2437      2.00000
     25       1.2817      2.00000
     26       1.3894      2.00000
     27       1.4169      2.00000
     28       1.5819      2.00000
     29       1.5982      2.00000
     30       1.6323      2.00000
     31       1.6913      2.00000
     32       1.7826      2.00000
     33       1.8618      2.00000
     34       1.9244      2.00000
     35       2.1343      2.00000
     36       2.2001      2.00000
     37       2.2070      2.00000
     38       2.2673      2.00000
     39       2.4123      2.00000
     40       2.4800      2.00000
     41       2.6120      2.00000
     42       2.6385      2.00000
     43       2.6558      2.00000
     44       2.7740      2.00000
     45       2.8156      2.00000
     46       2.8615      2.00000
     47       2.8957      2.00000
     48       3.0301      2.00000
     49       3.0838      2.00000
     50       3.1279      2.00000
     51       3.2956      2.00000
     52       3.3404      2.00000
     53       3.4225      2.00000
     54       3.6068      2.00000
     55       3.9330      2.00000
     56       4.1798      2.00000
     57       4.2009      2.00000
     58       4.3333      2.00000
     59       4.8191      2.00000
     60       6.2835     -0.05540
     61       6.4323     -0.00675
     62       6.9655     -0.00000
     63       7.2838     -0.00000
     64       8.7386     -0.00000
     65       9.5217     -0.00000
     66       9.6312     -0.00000
     67       9.8422     -0.00000
     68      10.9769     -0.00000
     69      11.0969     -0.00000
     70      11.1616     -0.00000
     71      11.4608      0.00000
     72      12.2348      0.00000
     73      12.6394      0.00000
     74      13.0748      0.00000
     75      13.3470      0.00000
     76      13.5277      0.00000
     77      13.7664      0.00000
     78      13.9638      0.00000
     79      14.2373      0.00000
     80      14.4606      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.5763      2.00000
      9      -0.8183      2.00000
     10      -0.1448      2.00000
     11       0.2137      2.00000
     12       0.2610      2.00000
     13       0.4273      2.00000
     14       0.4995      2.00000
     15       0.5664      2.00000
     16       0.6193      2.00000
     17       0.6893      2.00000
     18       0.7781      2.00000
     19       0.8883      2.00000
     20       0.9551      2.00000
     21       0.9745      2.00000
     22       1.0494      2.00000
     23       1.1436      2.00000
     24       1.2024      2.00000
     25       1.2869      2.00000
     26       1.3667      2.00000
     27       1.3837      2.00000
     28       1.5153      2.00000
     29       1.5520      2.00000
     30       1.6061      2.00000
     31       1.6607      2.00000
     32       1.8715      2.00000
     33       1.9452      2.00000
     34       2.0031      2.00000
     35       2.1358      2.00000
     36       2.1733      2.00000
     37       2.2461      2.00000
     38       2.2900      2.00000
     39       2.3400      2.00000
     40       2.3652      2.00000
     41       2.4222      2.00000
     42       2.6280      2.00000
     43       2.6451      2.00000
     44       2.7480      2.00000
     45       2.7640      2.00000
     46       2.8178      2.00000
     47       2.9574      2.00000
     48       2.9915      2.00000
     49       3.0864      2.00000
     50       3.1454      2.00000
     51       3.1760      2.00000
     52       3.2733      2.00000
     53       3.4302      2.00000
     54       3.6155      2.00000
     55       3.6716      2.00000
     56       3.8559      2.00000
     57       4.4173      2.00000
     58       4.8997      2.00000
     59       5.4785      2.00206
     60       5.8397      1.93337
     61       6.5452     -0.00053
     62       6.9833     -0.00000
     63       7.4815     -0.00000
     64       8.0237     -0.00000
     65       8.3527     -0.00000
     66       8.8756     -0.00000
     67       9.3199     -0.00000
     68       9.5739     -0.00000
     69      10.4266     -0.00000
     70      11.9066      0.00000
     71      12.2763      0.00000
     72      12.3536      0.00000
     73      12.5489      0.00000
     74      12.6697      0.00000
     75      12.8688      0.00000
     76      13.2698      0.00000
     77      13.5477      0.00000
     78      13.8947      0.00000
     79      13.9295      0.00000
     80      14.3793      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6248      2.00000
      7     -39.6158      2.00000
      8      -1.0261      2.00000
      9      -0.3847      2.00000
     10      -0.1348      2.00000
     11       0.3163      2.00000
     12       0.3872      2.00000
     13       0.4938      2.00000
     14       0.5287      2.00000
     15       0.6702      2.00000
     16       0.7755      2.00000
     17       0.8077      2.00000
     18       0.9206      2.00000
     19       0.9328      2.00000
     20       1.0127      2.00000
     21       1.0638      2.00000
     22       1.1553      2.00000
     23       1.2041      2.00000
     24       1.3002      2.00000
     25       1.3522      2.00000
     26       1.4036      2.00000
     27       1.4725      2.00000
     28       1.5405      2.00000
     29       1.5996      2.00000
     30       1.7390      2.00000
     31       1.8133      2.00000
     32       1.8684      2.00000
     33       1.9092      2.00000
     34       1.9661      2.00000
     35       2.0140      2.00000
     36       2.0638      2.00000
     37       2.1126      2.00000
     38       2.1886      2.00000
     39       2.2934      2.00000
     40       2.4398      2.00000
     41       2.4737      2.00000
     42       2.5400      2.00000
     43       2.5925      2.00000
     44       2.6673      2.00000
     45       2.7683      2.00000
     46       2.7959      2.00000
     47       2.8491      2.00000
     48       2.9067      2.00000
     49       2.9553      2.00000
     50       3.0595      2.00000
     51       3.1450      2.00000
     52       3.2228      2.00000
     53       3.2553      2.00000
     54       3.4418      2.00000
     55       3.5795      2.00000
     56       3.9618      2.00000
     57       4.4483      2.00000
     58       5.2304      2.00000
     59       5.6466      2.03835
     60       5.8910      1.69896
     61       6.2499     -0.06791
     62       6.5149     -0.00112
     63       6.6886     -0.00001
     64       7.3912     -0.00000
     65       7.6231     -0.00000
     66       8.0597     -0.00000
     67       9.0799     -0.00000
     68       9.7348     -0.00000
     69       9.9075     -0.00000
     70      10.1590     -0.00000
     71      11.0332     -0.00000
     72      11.1443     -0.00000
     73      11.7957      0.00000
     74      12.0213      0.00000
     75      12.3430      0.00000
     76      12.7931      0.00000
     77      13.2783      0.00000
     78      13.6228      0.00000
     79      14.0509      0.00000
     80      14.4474      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3929      2.00000
      9      -0.0811      2.00000
     10       0.0595      2.00000
     11       0.1452      2.00000
     12       0.4056      2.00000
     13       0.5117      2.00000
     14       0.6013      2.00000
     15       0.7098      2.00000
     16       0.8445      2.00000
     17       0.8955      2.00000
     18       0.9073      2.00000
     19       1.0868      2.00000
     20       1.1422      2.00000
     21       1.1814      2.00000
     22       1.2309      2.00000
     23       1.3041      2.00000
     24       1.3834      2.00000
     25       1.4539      2.00000
     26       1.4781      2.00000
     27       1.5820      2.00000
     28       1.6624      2.00000
     29       1.6970      2.00000
     30       1.7194      2.00000
     31       1.8237      2.00000
     32       1.8650      2.00000
     33       1.9481      2.00000
     34       1.9582      2.00000
     35       2.0508      2.00000
     36       2.1005      2.00000
     37       2.2084      2.00000
     38       2.2805      2.00000
     39       2.3277      2.00000
     40       2.3626      2.00000
     41       2.4346      2.00000
     42       2.4851      2.00000
     43       2.5025      2.00000
     44       2.6017      2.00000
     45       2.6720      2.00000
     46       2.7133      2.00000
     47       2.7709      2.00000
     48       2.8205      2.00000
     49       2.8459      2.00000
     50       3.0466      2.00000
     51       3.1177      2.00000
     52       3.2445      2.00000
     53       3.3048      2.00000
     54       3.4529      2.00000
     55       3.5599      2.00000
     56       3.7086      2.00000
     57       4.3830      2.00000
     58       4.7264      2.00000
     59       5.0960      2.00000
     60       5.6340      2.03296
     61       5.8833      1.74213
     62       6.1832     -0.04978
     63       6.5160     -0.00109
     64       6.7237     -0.00000
     65       7.6968     -0.00000
     66       8.0236     -0.00000
     67       8.4981     -0.00000
     68       9.2268     -0.00000
     69       9.6585     -0.00000
     70      10.1826     -0.00000
     71      10.7616     -0.00000
     72      10.9299     -0.00000
     73      11.3595     -0.00000
     74      11.6291      0.00000
     75      12.1594      0.00000
     76      12.4878      0.00000
     77      13.0888      0.00000
     78      13.3479      0.00000
     79      13.9180      0.00000
     80      14.2901      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6838      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6188      2.00000
      8      -0.4450      2.00000
      9      -0.1486      2.00000
     10      -0.0444      2.00000
     11       0.1339      2.00000
     12       0.5433      2.00000
     13       0.6613      2.00000
     14       0.6912      2.00000
     15       0.7207      2.00000
     16       0.7880      2.00000
     17       0.8730      2.00000
     18       0.9442      2.00000
     19       1.0816      2.00000
     20       1.1016      2.00000
     21       1.1322      2.00000
     22       1.2488      2.00000
     23       1.3281      2.00000
     24       1.3553      2.00000
     25       1.3782      2.00000
     26       1.5278      2.00000
     27       1.5711      2.00000
     28       1.6580      2.00000
     29       1.6999      2.00000
     30       1.7538      2.00000
     31       1.7967      2.00000
     32       1.8401      2.00000
     33       1.9431      2.00000
     34       1.9741      2.00000
     35       2.0772      2.00000
     36       2.1454      2.00000
     37       2.2165      2.00000
     38       2.2983      2.00000
     39       2.3184      2.00000
     40       2.4317      2.00000
     41       2.4468      2.00000
     42       2.4711      2.00000
     43       2.5055      2.00000
     44       2.5462      2.00000
     45       2.5600      2.00000
     46       2.7039      2.00000
     47       2.7394      2.00000
     48       2.7886      2.00000
     49       2.8564      2.00000
     50       3.1024      2.00000
     51       3.1391      2.00000
     52       3.2657      2.00000
     53       3.4765      2.00000
     54       3.5431      2.00000
     55       3.6200      2.00000
     56       4.0277      2.00000
     57       4.3814      2.00000
     58       4.4720      2.00000
     59       4.9917      2.00000
     60       5.1157      2.00000
     61       5.7950      2.03638
     62       6.0982      0.18519
     63       6.4657     -0.00343
     64       7.1493     -0.00000
     65       7.2461     -0.00000
     66       7.6878     -0.00000
     67       8.2499     -0.00000
     68       9.5517     -0.00000
     69       9.9443     -0.00000
     70      10.5552     -0.00000
     71      11.0459     -0.00000
     72      11.2760     -0.00000
     73      11.7596      0.00000
     74      11.9850      0.00000
     75      12.1787      0.00000
     76      12.8275      0.00000
     77      13.1469      0.00000
     78      13.2642      0.00000
     79      14.1127      0.00000
     80      14.2019      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6159      2.00000
      8      -1.2096      2.00000
      9      -0.3377      2.00000
     10      -0.0764      2.00000
     11       0.0991      2.00000
     12       0.5470      2.00000
     13       0.5732      2.00000
     14       0.6297      2.00000
     15       0.7052      2.00000
     16       0.8370      2.00000
     17       0.8729      2.00000
     18       0.9338      2.00000
     19       1.0034      2.00000
     20       1.0615      2.00000
     21       1.1069      2.00000
     22       1.1712      2.00000
     23       1.2331      2.00000
     24       1.2623      2.00000
     25       1.3168      2.00000
     26       1.3731      2.00000
     27       1.3845      2.00000
     28       1.5383      2.00000
     29       1.6587      2.00000
     30       1.6905      2.00000
     31       1.7985      2.00000
     32       1.8758      2.00000
     33       1.9093      2.00000
     34       1.9779      2.00000
     35       1.9955      2.00000
     36       2.0307      2.00000
     37       2.1375      2.00000
     38       2.1894      2.00000
     39       2.3745      2.00000
     40       2.4164      2.00000
     41       2.4719      2.00000
     42       2.5274      2.00000
     43       2.5876      2.00000
     44       2.6489      2.00000
     45       2.7380      2.00000
     46       2.8252      2.00000
     47       2.8593      2.00000
     48       2.9144      2.00000
     49       3.0010      2.00000
     50       3.0314      2.00000
     51       3.0786      2.00000
     52       3.1566      2.00000
     53       3.2559      2.00000
     54       3.5007      2.00000
     55       3.6234      2.00000
     56       3.9644      2.00000
     57       4.2979      2.00000
     58       5.2947      2.00001
     59       5.4641      2.00148
     60       5.6302      2.03143
     61       5.7939      2.03792
     62       6.6064     -0.00010
     63       6.9002     -0.00000
     64       7.3902     -0.00000
     65       7.7860     -0.00000
     66       7.8677     -0.00000
     67       8.4379     -0.00000
     68       9.7786     -0.00000
     69       9.9790     -0.00000
     70      10.4161     -0.00000
     71      11.6651      0.00000
     72      12.2054      0.00000
     73      12.4932      0.00000
     74      12.8417      0.00000
     75      13.0522      0.00000
     76      13.3445      0.00000
     77      13.4029      0.00000
     78      13.5285      0.00000
     79      13.7891      0.00000
     80      14.1287      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6139      2.00000
      8      -1.7400      2.00000
      9      -0.6653      2.00000
     10       0.0136      2.00000
     11       0.2250      2.00000
     12       0.3224      2.00000
     13       0.3301      2.00000
     14       0.4093      2.00000
     15       0.6236      2.00000
     16       0.6322      2.00000
     17       0.7179      2.00000
     18       0.8103      2.00000
     19       0.8708      2.00000
     20       0.9565      2.00000
     21       1.0128      2.00000
     22       1.0777      2.00000
     23       1.1407      2.00000
     24       1.2196      2.00000
     25       1.2437      2.00000
     26       1.3274      2.00000
     27       1.3964      2.00000
     28       1.4283      2.00000
     29       1.5929      2.00000
     30       1.6710      2.00000
     31       1.7109      2.00000
     32       1.8060      2.00000
     33       1.8589      2.00000
     34       1.9329      2.00000
     35       2.1026      2.00000
     36       2.1797      2.00000
     37       2.2345      2.00000
     38       2.2790      2.00000
     39       2.3787      2.00000
     40       2.4876      2.00000
     41       2.5205      2.00000
     42       2.5819      2.00000
     43       2.6981      2.00000
     44       2.7333      2.00000
     45       2.7717      2.00000
     46       2.8669      2.00000
     47       2.9448      2.00000
     48       2.9782      2.00000
     49       3.0844      2.00000
     50       3.1346      2.00000
     51       3.1889      2.00000
     52       3.2623      2.00000
     53       3.4080      2.00000
     54       3.6006      2.00000
     55       3.7538      2.00000
     56       3.9162      2.00000
     57       4.1282      2.00000
     58       4.4978      2.00000
     59       5.2014      2.00000
     60       6.0344      0.58567
     61       6.5538     -0.00042
     62       6.9777     -0.00000
     63       7.7498     -0.00000
     64       8.0233     -0.00000
     65       8.4088     -0.00000
     66       8.6946     -0.00000
     67       9.6460     -0.00000
     68      10.4374     -0.00000
     69      10.8476     -0.00000
     70      11.0052     -0.00000
     71      11.2325     -0.00000
     72      12.4497      0.00000
     73      12.7921      0.00000
     74      12.9755      0.00000
     75      13.1459      0.00000
     76      13.4352      0.00000
     77      13.5109      0.00000
     78      13.8983      0.00000
     79      14.2941      0.00000
     80      14.4357      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9437      2.00000
      2     -39.9369      2.00000
      3     -39.8491      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6273      2.00000
      7     -39.6131      2.00000
      8      -1.8506      2.00000
      9      -0.9274      2.00000
     10       0.0397      2.00000
     11       0.1646      2.00000
     12       0.1936      2.00000
     13       0.2964      2.00000
     14       0.4135      2.00000
     15       0.5927      2.00000
     16       0.6145      2.00000
     17       0.6223      2.00000
     18       0.6855      2.00000
     19       0.7228      2.00000
     20       0.8415      2.00000
     21       0.9444      2.00000
     22       1.0743      2.00000
     23       1.0894      2.00000
     24       1.1968      2.00000
     25       1.2544      2.00000
     26       1.3376      2.00000
     27       1.3613      2.00000
     28       1.5421      2.00000
     29       1.6382      2.00000
     30       1.6805      2.00000
     31       1.6976      2.00000
     32       1.7915      2.00000
     33       1.8414      2.00000
     34       1.8728      2.00000
     35       2.1048      2.00000
     36       2.1963      2.00000
     37       2.2295      2.00000
     38       2.3556      2.00000
     39       2.4086      2.00000
     40       2.5177      2.00000
     41       2.5545      2.00000
     42       2.5988      2.00000
     43       2.6520      2.00000
     44       2.8245      2.00000
     45       2.8476      2.00000
     46       2.9654      2.00000
     47       3.0245      2.00000
     48       3.0374      2.00000
     49       3.1126      2.00000
     50       3.1520      2.00000
     51       3.2238      2.00000
     52       3.2937      2.00000
     53       3.5008      2.00000
     54       3.6100      2.00000
     55       3.8916      2.00000
     56       3.9174      2.00000
     57       4.1677      2.00000
     58       4.3678      2.00000
     59       4.9991      2.00000
     60       5.6380      2.03466
     61       6.2296     -0.07091
     62       7.6650     -0.00000
     63       8.2649     -0.00000
     64       8.5650     -0.00000
     65       8.5736     -0.00000
     66       9.6991     -0.00000
     67      10.2981     -0.00000
     68      10.5587     -0.00000
     69      10.7559     -0.00000
     70      11.2272     -0.00000
     71      11.6453      0.00000
     72      12.4426      0.00000
     73      12.7042      0.00000
     74      12.7625      0.00000
     75      13.1427      0.00000
     76      13.2300      0.00000
     77      13.6648      0.00000
     78      14.3559      0.00000
     79      14.4386      0.00000
     80      14.4656      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6839      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.6530      2.00000
      9      -0.6423      2.00000
     10      -0.2104      2.00000
     11       0.2436      2.00000
     12       0.2847      2.00000
     13       0.4307      2.00000
     14       0.4420      2.00000
     15       0.5810      2.00000
     16       0.6335      2.00000
     17       0.7278      2.00000
     18       0.7773      2.00000
     19       0.8749      2.00000
     20       0.9299      2.00000
     21       0.9737      2.00000
     22       1.0753      2.00000
     23       1.1357      2.00000
     24       1.1608      2.00000
     25       1.2394      2.00000
     26       1.3515      2.00000
     27       1.3677      2.00000
     28       1.4841      2.00000
     29       1.6134      2.00000
     30       1.6333      2.00000
     31       1.7292      2.00000
     32       1.8618      2.00000
     33       1.8748      2.00000
     34       1.9787      2.00000
     35       2.0534      2.00000
     36       2.1643      2.00000
     37       2.2175      2.00000
     38       2.3007      2.00000
     39       2.3824      2.00000
     40       2.4514      2.00000
     41       2.5484      2.00000
     42       2.5991      2.00000
     43       2.6946      2.00000
     44       2.7470      2.00000
     45       2.8002      2.00000
     46       2.8300      2.00000
     47       2.9003      2.00000
     48       2.9976      2.00000
     49       3.0693      2.00000
     50       3.1292      2.00000
     51       3.1854      2.00000
     52       3.2282      2.00000
     53       3.5183      2.00000
     54       3.6459      2.00000
     55       3.7154      2.00000
     56       3.7739      2.00000
     57       4.0438      2.00000
     58       4.9444      2.00000
     59       5.0437      2.00000
     60       5.8228      1.98239
     61       6.7642     -0.00000
     62       7.1756     -0.00000
     63       7.6968     -0.00000
     64       8.6345     -0.00000
     65       8.8669     -0.00000
     66       9.2160     -0.00000
     67       9.4205     -0.00000
     68       9.5580     -0.00000
     69       9.7504     -0.00000
     70      10.9450     -0.00000
     71      11.5038      0.00000
     72      12.0773      0.00000
     73      12.2639      0.00000
     74      12.4291      0.00000
     75      13.1002      0.00000
     76      13.2976      0.00000
     77      13.5954      0.00000
     78      14.0447      0.00000
     79      14.3591      0.00000
     80      14.4908      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6248      2.00000
      7     -39.6158      2.00000
      8      -1.0758      2.00000
      9      -0.2710      2.00000
     10      -0.2058      2.00000
     11       0.2584      2.00000
     12       0.4240      2.00000
     13       0.5203      2.00000
     14       0.5567      2.00000
     15       0.6793      2.00000
     16       0.7801      2.00000
     17       0.8316      2.00000
     18       0.9017      2.00000
     19       1.0019      2.00000
     20       1.0847      2.00000
     21       1.0906      2.00000
     22       1.1266      2.00000
     23       1.1906      2.00000
     24       1.2273      2.00000
     25       1.2787      2.00000
     26       1.3460      2.00000
     27       1.4856      2.00000
     28       1.5709      2.00000
     29       1.6234      2.00000
     30       1.6470      2.00000
     31       1.8077      2.00000
     32       1.8262      2.00000
     33       1.9761      2.00000
     34       1.9844      2.00000
     35       2.0426      2.00000
     36       2.1595      2.00000
     37       2.1867      2.00000
     38       2.2270      2.00000
     39       2.2779      2.00000
     40       2.3443      2.00000
     41       2.4950      2.00000
     42       2.6049      2.00000
     43       2.6307      2.00000
     44       2.7016      2.00000
     45       2.7405      2.00000
     46       2.7737      2.00000
     47       2.8209      2.00000
     48       2.8990      2.00000
     49       2.9388      2.00000
     50       3.0733      2.00000
     51       3.0966      2.00000
     52       3.1863      2.00000
     53       3.3860      2.00000
     54       3.4686      2.00000
     55       3.5576      2.00000
     56       3.6578      2.00000
     57       4.3781      2.00000
     58       4.7790      2.00000
     59       5.3815      2.00018
     60       5.9430      1.33659
     61       6.5618     -0.00034
     62       6.9385     -0.00000
     63       6.9833     -0.00000
     64       7.3036     -0.00000
     65       8.2250     -0.00000
     66       8.4849     -0.00000
     67       8.7555     -0.00000
     68       9.3170     -0.00000
     69       9.9436     -0.00000
     70      10.1767     -0.00000
     71      10.3184     -0.00000
     72      11.0571     -0.00000
     73      11.7154      0.00000
     74      12.1065      0.00000
     75      12.2351      0.00000
     76      12.9397      0.00000
     77      13.6850      0.00000
     78      13.8287      0.00000
     79      14.0950      0.00000
     80      14.2151      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3661      2.00000
      9      -0.1407      2.00000
     10       0.0708      2.00000
     11       0.1471      2.00000
     12       0.4508      2.00000
     13       0.5601      2.00000
     14       0.6269      2.00000
     15       0.6843      2.00000
     16       0.7350      2.00000
     17       0.8807      2.00000
     18       0.9415      2.00000
     19       1.0584      2.00000
     20       1.1381      2.00000
     21       1.1773      2.00000
     22       1.1993      2.00000
     23       1.3126      2.00000
     24       1.3684      2.00000
     25       1.4662      2.00000
     26       1.5190      2.00000
     27       1.5549      2.00000
     28       1.6271      2.00000
     29       1.6913      2.00000
     30       1.7728      2.00000
     31       1.8372      2.00000
     32       1.8953      2.00000
     33       1.9229      2.00000
     34       2.0700      2.00000
     35       2.1302      2.00000
     36       2.1418      2.00000
     37       2.2220      2.00000
     38       2.2410      2.00000
     39       2.3112      2.00000
     40       2.3553      2.00000
     41       2.3944      2.00000
     42       2.4963      2.00000
     43       2.5521      2.00000
     44       2.5732      2.00000
     45       2.5909      2.00000
     46       2.6593      2.00000
     47       2.7561      2.00000
     48       2.7669      2.00000
     49       2.8501      2.00000
     50       3.0474      2.00000
     51       3.1059      2.00000
     52       3.1595      2.00000
     53       3.3325      2.00000
     54       3.5047      2.00000
     55       3.5972      2.00000
     56       3.8645      2.00000
     57       4.3498      2.00000
     58       4.7109      2.00000
     59       5.0650      2.00000
     60       5.5945      2.01898
     61       5.6600      2.04443
     62       6.1310      0.05602
     63       6.6143     -0.00008
     64       6.9549     -0.00000
     65       7.4859     -0.00000
     66       7.8394     -0.00000
     67       8.9782     -0.00000
     68       9.5331     -0.00000
     69       9.8644     -0.00000
     70      10.0438     -0.00000
     71      10.4956     -0.00000
     72      10.6700     -0.00000
     73      11.0643     -0.00000
     74      11.6037      0.00000
     75      12.2243      0.00000
     76      12.9990      0.00000
     77      13.1447      0.00000
     78      13.8305      0.00000
     79      13.8534      0.00000
     80      14.0182      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6187      2.00000
      8      -0.4527      2.00000
      9      -0.1457      2.00000
     10      -0.0111      2.00000
     11       0.1276      2.00000
     12       0.5296      2.00000
     13       0.5679      2.00000
     14       0.6370      2.00000
     15       0.7443      2.00000
     16       0.8546      2.00000
     17       0.9413      2.00000
     18       0.9960      2.00000
     19       1.0495      2.00000
     20       1.1063      2.00000
     21       1.1627      2.00000
     22       1.2078      2.00000
     23       1.3045      2.00000
     24       1.3792      2.00000
     25       1.4671      2.00000
     26       1.4909      2.00000
     27       1.5426      2.00000
     28       1.5910      2.00000
     29       1.6978      2.00000
     30       1.7404      2.00000
     31       1.7797      2.00000
     32       1.8775      2.00000
     33       1.9382      2.00000
     34       1.9518      2.00000
     35       2.0347      2.00000
     36       2.1648      2.00000
     37       2.1749      2.00000
     38       2.2685      2.00000
     39       2.2993      2.00000
     40       2.3353      2.00000
     41       2.4540      2.00000
     42       2.4774      2.00000
     43       2.5608      2.00000
     44       2.5957      2.00000
     45       2.6594      2.00000
     46       2.7551      2.00000
     47       2.7772      2.00000
     48       2.7939      2.00000
     49       2.8730      2.00000
     50       3.1010      2.00000
     51       3.1530      2.00000
     52       3.2075      2.00000
     53       3.4846      2.00000
     54       3.5420      2.00000
     55       3.6621      2.00000
     56       3.8428      2.00000
     57       4.3980      2.00000
     58       4.5671      2.00000
     59       4.9704      2.00000
     60       5.3785      2.00016
     61       5.6769      2.05220
     62       5.8149      2.00102
     63       6.6626     -0.00002
     64       6.9558     -0.00000
     65       7.2842     -0.00000
     66       7.5145     -0.00000
     67       8.9880     -0.00000
     68       9.3251     -0.00000
     69      10.0663     -0.00000
     70      10.5075     -0.00000
     71      10.8854     -0.00000
     72      11.1582     -0.00000
     73      11.3775     -0.00000
     74      11.6921      0.00000
     75      11.9250      0.00000
     76      12.6012      0.00000
     77      13.4304      0.00000
     78      13.5820      0.00000
     79      14.0397      0.00000
     80      14.1242      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6159      2.00000
      8      -1.1347      2.00000
      9      -0.5379      2.00000
     10       0.1090      2.00000
     11       0.1257      2.00000
     12       0.4960      2.00000
     13       0.5862      2.00000
     14       0.6403      2.00000
     15       0.6835      2.00000
     16       0.7882      2.00000
     17       0.8166      2.00000
     18       0.8407      2.00000
     19       0.9340      2.00000
     20       1.0920      2.00000
     21       1.1304      2.00000
     22       1.1704      2.00000
     23       1.1942      2.00000
     24       1.3027      2.00000
     25       1.3662      2.00000
     26       1.3927      2.00000
     27       1.4369      2.00000
     28       1.5042      2.00000
     29       1.5481      2.00000
     30       1.6772      2.00000
     31       1.7216      2.00000
     32       1.8602      2.00000
     33       1.8993      2.00000
     34       1.9566      2.00000
     35       2.1024      2.00000
     36       2.1433      2.00000
     37       2.2135      2.00000
     38       2.2656      2.00000
     39       2.3303      2.00000
     40       2.4034      2.00000
     41       2.4921      2.00000
     42       2.5515      2.00000
     43       2.6442      2.00000
     44       2.6703      2.00000
     45       2.7533      2.00000
     46       2.7781      2.00000
     47       2.8236      2.00000
     48       2.8811      2.00000
     49       2.9334      2.00000
     50       3.0566      2.00000
     51       3.0971      2.00000
     52       3.1958      2.00000
     53       3.3273      2.00000
     54       3.4871      2.00000
     55       3.6775      2.00000
     56       4.1034      2.00000
     57       4.5463      2.00000
     58       4.9692      2.00000
     59       5.3033      2.00002
     60       5.6395      2.03526
     61       5.9893      0.95282
     62       6.1834     -0.04997
     63       6.6715     -0.00001
     64       7.1335     -0.00000
     65       7.6424     -0.00000
     66       8.7485     -0.00000
     67       8.8887     -0.00000
     68       9.3379     -0.00000
     69      10.3199     -0.00000
     70      10.5403     -0.00000
     71      11.0205     -0.00000
     72      11.5765      0.00000
     73      12.1333      0.00000
     74      12.4467      0.00000
     75      12.7795      0.00000
     76      13.3008      0.00000
     77      13.5247      0.00000
     78      14.0386      0.00000
     79      14.1491      0.00000
     80      14.4142      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9372      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6266      2.00000
      7     -39.6139      2.00000
      8      -1.6515      2.00000
      9      -0.8893      2.00000
     10       0.1411      2.00000
     11       0.2468      2.00000
     12       0.3057      2.00000
     13       0.3225      2.00000
     14       0.4049      2.00000
     15       0.6104      2.00000
     16       0.6408      2.00000
     17       0.6677      2.00000
     18       0.7547      2.00000
     19       0.8493      2.00000
     20       0.9332      2.00000
     21       1.0519      2.00000
     22       1.1134      2.00000
     23       1.1714      2.00000
     24       1.2088      2.00000
     25       1.2701      2.00000
     26       1.3616      2.00000
     27       1.3892      2.00000
     28       1.4696      2.00000
     29       1.5793      2.00000
     30       1.6796      2.00000
     31       1.7263      2.00000
     32       1.8261      2.00000
     33       1.8365      2.00000
     34       2.0079      2.00000
     35       2.1404      2.00000
     36       2.1698      2.00000
     37       2.2052      2.00000
     38       2.2413      2.00000
     39       2.3524      2.00000
     40       2.4159      2.00000
     41       2.4820      2.00000
     42       2.6039      2.00000
     43       2.6364      2.00000
     44       2.7577      2.00000
     45       2.7983      2.00000
     46       2.8518      2.00000
     47       2.9214      2.00000
     48       2.9769      2.00000
     49       3.0924      2.00000
     50       3.1463      2.00000
     51       3.1946      2.00000
     52       3.2694      2.00000
     53       3.4596      2.00000
     54       3.6861      2.00000
     55       3.8976      2.00000
     56       3.9270      2.00000
     57       4.1634      2.00000
     58       4.5519      2.00000
     59       5.0459      2.00000
     60       5.6359      2.03377
     61       6.7848     -0.00000
     62       7.3424     -0.00000
     63       7.6464     -0.00000
     64       8.2253     -0.00000
     65       8.4269     -0.00000
     66       8.4968     -0.00000
     67       8.9361     -0.00000
     68       9.1483     -0.00000
     69      11.3170     -0.00000
     70      12.0960      0.00000
     71      12.4055      0.00000
     72      12.6324      0.00000
     73      12.7179      0.00000
     74      13.0831      0.00000
     75      13.2062      0.00000
     76      13.4754      0.00000
     77      13.6437      0.00000
     78      13.7328      0.00000
     79      13.8388      0.00000
     80      14.0230      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9437      2.00000
      2     -39.9370      2.00000
      3     -39.8491      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6274      2.00000
      7     -39.6131      2.00000
      8      -1.6590      2.00000
      9      -0.7837      2.00000
     10      -0.5830      2.00000
     11       0.0782      2.00000
     12       0.2589      2.00000
     13       0.3713      2.00000
     14       0.4011      2.00000
     15       0.5501      2.00000
     16       0.6298      2.00000
     17       0.7340      2.00000
     18       0.7437      2.00000
     19       0.8238      2.00000
     20       0.8848      2.00000
     21       0.9162      2.00000
     22       1.0366      2.00000
     23       1.0974      2.00000
     24       1.1216      2.00000
     25       1.2193      2.00000
     26       1.3090      2.00000
     27       1.3464      2.00000
     28       1.4742      2.00000
     29       1.5828      2.00000
     30       1.6038      2.00000
     31       1.7653      2.00000
     32       1.8805      2.00000
     33       1.8969      2.00000
     34       2.0771      2.00000
     35       2.1315      2.00000
     36       2.2018      2.00000
     37       2.3344      2.00000
     38       2.4195      2.00000
     39       2.4422      2.00000
     40       2.4456      2.00000
     41       2.5247      2.00000
     42       2.5937      2.00000
     43       2.6595      2.00000
     44       2.6966      2.00000
     45       2.7878      2.00000
     46       2.8374      2.00000
     47       2.9250      2.00000
     48       2.9503      2.00000
     49       3.1257      2.00000
     50       3.2009      2.00000
     51       3.2908      2.00000
     52       3.3244      2.00000
     53       3.4184      2.00000
     54       3.5141      2.00000
     55       3.6807      2.00000
     56       3.7162      2.00000
     57       3.9643      2.00000
     58       4.1492      2.00000
     59       5.7720      2.06036
     60       7.2013     -0.00000
     61       7.3600     -0.00000
     62       7.4459     -0.00000
     63       7.7221     -0.00000
     64       8.3073     -0.00000
     65       8.7308     -0.00000
     66       9.2707     -0.00000
     67       9.8815     -0.00000
     68      10.4418     -0.00000
     69      10.6203     -0.00000
     70      11.0934     -0.00000
     71      11.1729     -0.00000
     72      11.3738     -0.00000
     73      12.4083      0.00000
     74      12.8947      0.00000
     75      13.0877      0.00000
     76      13.1344      0.00000
     77      13.3341      0.00000
     78      13.7810      0.00000
     79      13.8061      0.00000
     80      14.5610      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.3907      2.00000
      9      -0.7774      2.00000
     10      -0.3939      2.00000
     11       0.1136      2.00000
     12       0.1928      2.00000
     13       0.4732      2.00000
     14       0.5319      2.00000
     15       0.6253      2.00000
     16       0.6432      2.00000
     17       0.7364      2.00000
     18       0.7557      2.00000
     19       0.9148      2.00000
     20       0.9446      2.00000
     21       0.9856      2.00000
     22       0.9900      2.00000
     23       1.0967      2.00000
     24       1.1594      2.00000
     25       1.1792      2.00000
     26       1.3165      2.00000
     27       1.3471      2.00000
     28       1.5454      2.00000
     29       1.6017      2.00000
     30       1.7100      2.00000
     31       1.7470      2.00000
     32       1.8155      2.00000
     33       1.9518      2.00000
     34       1.9973      2.00000
     35       2.0286      2.00000
     36       2.1327      2.00000
     37       2.2632      2.00000
     38       2.2699      2.00000
     39       2.3404      2.00000
     40       2.5083      2.00000
     41       2.5369      2.00000
     42       2.6251      2.00000
     43       2.6786      2.00000
     44       2.7196      2.00000
     45       2.7762      2.00000
     46       2.8632      2.00000
     47       2.8988      2.00000
     48       2.9856      2.00000
     49       3.0785      2.00000
     50       3.1198      2.00000
     51       3.2131      2.00000
     52       3.3258      2.00000
     53       3.3436      2.00000
     54       3.5402      2.00000
     55       3.7523      2.00000
     56       3.8165      2.00000
     57       3.9566      2.00000
     58       4.1944      2.00000
     59       6.1596     -0.01535
     60       6.4719     -0.00300
     61       7.3485     -0.00000
     62       7.6969     -0.00000
     63       7.8870     -0.00000
     64       8.3267     -0.00000
     65       8.5561     -0.00000
     66       8.7735     -0.00000
     67       8.8448     -0.00000
     68       9.6650     -0.00000
     69      10.1620     -0.00000
     70      10.5804     -0.00000
     71      10.7048     -0.00000
     72      11.0664     -0.00000
     73      11.8139      0.00000
     74      12.2739      0.00000
     75      12.5881      0.00000
     76      13.1297      0.00000
     77      13.5514      0.00000
     78      13.9198      0.00000
     79      14.2096      0.00000
     80      14.5986      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9423      2.00000
      2     -39.9382      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6248      2.00000
      7     -39.6158      2.00000
      8      -0.9074      2.00000
      9      -0.3829      2.00000
     10      -0.0361      2.00000
     11       0.0617      2.00000
     12       0.4386      2.00000
     13       0.4929      2.00000
     14       0.5933      2.00000
     15       0.6877      2.00000
     16       0.7487      2.00000
     17       0.7601      2.00000
     18       0.8168      2.00000
     19       0.8854      2.00000
     20       0.9932      2.00000
     21       1.0223      2.00000
     22       1.1435      2.00000
     23       1.2303      2.00000
     24       1.2821      2.00000
     25       1.3742      2.00000
     26       1.4126      2.00000
     27       1.4885      2.00000
     28       1.5970      2.00000
     29       1.6513      2.00000
     30       1.7132      2.00000
     31       1.7715      2.00000
     32       1.8210      2.00000
     33       1.9043      2.00000
     34       1.9702      2.00000
     35       2.0097      2.00000
     36       2.0491      2.00000
     37       2.1955      2.00000
     38       2.2415      2.00000
     39       2.2727      2.00000
     40       2.3830      2.00000
     41       2.5307      2.00000
     42       2.5959      2.00000
     43       2.6066      2.00000
     44       2.6825      2.00000
     45       2.7134      2.00000
     46       2.8131      2.00000
     47       2.8546      2.00000
     48       2.8765      2.00000
     49       2.9111      2.00000
     50       3.0172      2.00000
     51       3.1120      2.00000
     52       3.2821      2.00000
     53       3.3119      2.00000
     54       3.4569      2.00000
     55       3.5408      2.00000
     56       3.7289      2.00000
     57       4.3748      2.00000
     58       5.2084      2.00000
     59       5.2549      2.00000
     60       5.9068      1.60051
     61       7.0540     -0.00000
     62       7.1668     -0.00000
     63       7.3075     -0.00000
     64       7.4208     -0.00000
     65       8.0929     -0.00000
     66       8.3506     -0.00000
     67       8.5736     -0.00000
     68       8.9711     -0.00000
     69       9.2593     -0.00000
     70       9.7650     -0.00000
     71      10.7835     -0.00000
     72      10.9849     -0.00000
     73      11.2671     -0.00000
     74      11.6267      0.00000
     75      12.4361      0.00000
     76      13.1064      0.00000
     77      13.3176      0.00000
     78      13.6292      0.00000
     79      13.8867      0.00000
     80      14.1566      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3937      2.00000
      9      -0.0711      2.00000
     10       0.1027      2.00000
     11       0.1520      2.00000
     12       0.4502      2.00000
     13       0.4880      2.00000
     14       0.5439      2.00000
     15       0.6759      2.00000
     16       0.7788      2.00000
     17       0.9027      2.00000
     18       0.9358      2.00000
     19       1.1088      2.00000
     20       1.1629      2.00000
     21       1.1977      2.00000
     22       1.2215      2.00000
     23       1.3211      2.00000
     24       1.4017      2.00000
     25       1.4274      2.00000
     26       1.4864      2.00000
     27       1.5517      2.00000
     28       1.6160      2.00000
     29       1.6469      2.00000
     30       1.7079      2.00000
     31       1.8130      2.00000
     32       1.8881      2.00000
     33       1.9488      2.00000
     34       2.0169      2.00000
     35       2.0939      2.00000
     36       2.1019      2.00000
     37       2.1821      2.00000
     38       2.2704      2.00000
     39       2.2967      2.00000
     40       2.3340      2.00000
     41       2.4418      2.00000
     42       2.5020      2.00000
     43       2.5247      2.00000
     44       2.6057      2.00000
     45       2.6802      2.00000
     46       2.7149      2.00000
     47       2.8005      2.00000
     48       2.8180      2.00000
     49       2.9267      2.00000
     50       3.0505      2.00000
     51       3.1568      2.00000
     52       3.2619      2.00000
     53       3.3238      2.00000
     54       3.4408      2.00000
     55       3.5627      2.00000
     56       3.7590      2.00000
     57       4.0513      2.00000
     58       4.2577      2.00000
     59       5.4465      2.00097
     60       5.8242      1.97893
     61       5.9890      0.95550
     62       6.2770     -0.05822
     63       6.7146     -0.00000
     64       7.1419     -0.00000
     65       7.6088     -0.00000
     66       8.0165     -0.00000
     67       8.2572     -0.00000
     68       8.8368     -0.00000
     69       9.3703     -0.00000
     70      10.2291     -0.00000
     71      10.4097     -0.00000
     72      10.5103     -0.00000
     73      11.2915     -0.00000
     74      11.8213      0.00000
     75      12.1655      0.00000
     76      12.8805      0.00000
     77      13.0352      0.00000
     78      13.6276      0.00000
     79      13.9052      0.00000
     80      14.6015      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6187      2.00000
      8      -0.4497      2.00000
      9      -0.1452      2.00000
     10       0.0488      2.00000
     11       0.1315      2.00000
     12       0.4925      2.00000
     13       0.5253      2.00000
     14       0.6314      2.00000
     15       0.7040      2.00000
     16       0.8896      2.00000
     17       0.9118      2.00000
     18       1.0250      2.00000
     19       1.0768      2.00000
     20       1.1276      2.00000
     21       1.1748      2.00000
     22       1.2392      2.00000
     23       1.2874      2.00000
     24       1.3773      2.00000
     25       1.4116      2.00000
     26       1.4555      2.00000
     27       1.4921      2.00000
     28       1.6479      2.00000
     29       1.6785      2.00000
     30       1.7309      2.00000
     31       1.7807      2.00000
     32       1.8594      2.00000
     33       1.9091      2.00000
     34       1.9783      2.00000
     35       2.0600      2.00000
     36       2.1672      2.00000
     37       2.1910      2.00000
     38       2.2578      2.00000
     39       2.3316      2.00000
     40       2.3500      2.00000
     41       2.4254      2.00000
     42       2.4825      2.00000
     43       2.5301      2.00000
     44       2.6385      2.00000
     45       2.6704      2.00000
     46       2.7203      2.00000
     47       2.7974      2.00000
     48       2.8543      2.00000
     49       2.8845      2.00000
     50       3.0911      2.00000
     51       3.1445      2.00000
     52       3.2272      2.00000
     53       3.4443      2.00000
     54       3.5357      2.00000
     55       3.5811      2.00000
     56       3.8738      2.00000
     57       4.2950      2.00000
     58       4.8383      2.00000
     59       4.9726      2.00000
     60       5.1646      2.00000
     61       5.5798      2.01500
     62       5.7587      2.06741
     63       6.7152     -0.00000
     64       7.1120     -0.00000
     65       7.6978     -0.00000
     66       7.8815     -0.00000
     67       8.6670     -0.00000
     68       9.4668     -0.00000
     69       9.9361     -0.00000
     70      10.0715     -0.00000
     71      10.4221     -0.00000
     72      10.5508     -0.00000
     73      11.0832     -0.00000
     74      11.7698      0.00000
     75      12.2288      0.00000
     76      12.6652      0.00000
     77      13.5635      0.00000
     78      14.0206      0.00000
     79      14.2103      0.00000
     80      14.5156      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6158      2.00000
      8      -1.0817      2.00000
      9      -0.3616      2.00000
     10      -0.1123      2.00000
     11       0.2638      2.00000
     12       0.4321      2.00000
     13       0.5106      2.00000
     14       0.5405      2.00000
     15       0.6808      2.00000
     16       0.7798      2.00000
     17       0.8335      2.00000
     18       0.9094      2.00000
     19       0.9428      2.00000
     20       1.0373      2.00000
     21       1.0736      2.00000
     22       1.1664      2.00000
     23       1.2091      2.00000
     24       1.2632      2.00000
     25       1.3234      2.00000
     26       1.4078      2.00000
     27       1.4484      2.00000
     28       1.5404      2.00000
     29       1.5938      2.00000
     30       1.7634      2.00000
     31       1.8010      2.00000
     32       1.8371      2.00000
     33       1.9505      2.00000
     34       1.9750      2.00000
     35       2.0297      2.00000
     36       2.0884      2.00000
     37       2.1116      2.00000
     38       2.1862      2.00000
     39       2.3123      2.00000
     40       2.4061      2.00000
     41       2.4464      2.00000
     42       2.5815      2.00000
     43       2.6323      2.00000
     44       2.6611      2.00000
     45       2.7640      2.00000
     46       2.7886      2.00000
     47       2.8473      2.00000
     48       2.9111      2.00000
     49       2.9557      2.00000
     50       3.0587      2.00000
     51       3.1012      2.00000
     52       3.2138      2.00000
     53       3.2949      2.00000
     54       3.4234      2.00000
     55       3.5974      2.00000
     56       4.0496      2.00000
     57       4.2318      2.00000
     58       5.1519      2.00000
     59       5.7259      2.06976
     60       5.8909      1.69917
     61       6.0697      0.34157
     62       6.5297     -0.00078
     63       6.7628     -0.00000
     64       7.2177     -0.00000
     65       7.6366     -0.00000
     66       8.3175     -0.00000
     67       9.2823     -0.00000
     68       9.4583     -0.00000
     69       9.9403     -0.00000
     70      10.2341     -0.00000
     71      11.2627     -0.00000
     72      11.4142     -0.00000
     73      11.7648      0.00000
     74      11.9281      0.00000
     75      12.2959      0.00000
     76      12.7279      0.00000
     77      13.3468      0.00000
     78      13.6491      0.00000
     79      13.7878      0.00000
     80      14.2392      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.5560      2.00000
      9      -0.5378      2.00000
     10      -0.4670      2.00000
     11       0.2105      2.00000
     12       0.2307      2.00000
     13       0.4771      2.00000
     14       0.5162      2.00000
     15       0.5891      2.00000
     16       0.6297      2.00000
     17       0.6735      2.00000
     18       0.7928      2.00000
     19       0.8951      2.00000
     20       0.9411      2.00000
     21       0.9770      2.00000
     22       1.0110      2.00000
     23       1.1069      2.00000
     24       1.1531      2.00000
     25       1.2076      2.00000
     26       1.3855      2.00000
     27       1.4228      2.00000
     28       1.4712      2.00000
     29       1.5813      2.00000
     30       1.6258      2.00000
     31       1.7192      2.00000
     32       1.8506      2.00000
     33       1.8747      2.00000
     34       1.9952      2.00000
     35       2.0835      2.00000
     36       2.1864      2.00000
     37       2.2434      2.00000
     38       2.3312      2.00000
     39       2.3553      2.00000
     40       2.4251      2.00000
     41       2.5703      2.00000
     42       2.6471      2.00000
     43       2.6724      2.00000
     44       2.7166      2.00000
     45       2.8152      2.00000
     46       2.8443      2.00000
     47       2.8746      2.00000
     48       3.0281      2.00000
     49       3.0723      2.00000
     50       3.1477      2.00000
     51       3.1972      2.00000
     52       3.2024      2.00000
     53       3.5081      2.00000
     54       3.5868      2.00000
     55       3.6251      2.00000
     56       3.8085      2.00000
     57       3.9344      2.00000
     58       4.4907      2.00000
     59       5.6189      2.02704
     60       6.3331     -0.03309
     61       6.6929     -0.00001
     62       7.5218     -0.00000
     63       7.8759     -0.00000
     64       8.6235     -0.00000
     65       8.8263     -0.00000
     66       9.1991     -0.00000
     67       9.3742     -0.00000
     68       9.4762     -0.00000
     69       9.7520     -0.00000
     70      10.5254     -0.00000
     71      11.1331     -0.00000
     72      11.5022      0.00000
     73      11.9622      0.00000
     74      12.2110      0.00000
     75      12.9281      0.00000
     76      13.1356      0.00000
     77      13.2898      0.00000
     78      13.8401      0.00000
     79      14.5470      0.00000
     80      14.6668      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9437      2.00000
      2     -39.9370      2.00000
      3     -39.8491      2.00000
      4     -39.6841      2.00000
      5     -39.6836      2.00000
      6     -39.6274      2.00000
      7     -39.6131      2.00000
      8      -1.6054      2.00000
      9      -0.8330      2.00000
     10      -0.5546      2.00000
     11       0.0729      2.00000
     12       0.1397      2.00000
     13       0.3525      2.00000
     14       0.4037      2.00000
     15       0.5509      2.00000
     16       0.6409      2.00000
     17       0.7680      2.00000
     18       0.7861      2.00000
     19       0.8616      2.00000
     20       0.8657      2.00000
     21       0.9171      2.00000
     22       1.0040      2.00000
     23       1.0218      2.00000
     24       1.0692      2.00000
     25       1.2438      2.00000
     26       1.2942      2.00000
     27       1.3667      2.00000
     28       1.4660      2.00000
     29       1.6107      2.00000
     30       1.6546      2.00000
     31       1.7462      2.00000
     32       1.8279      2.00000
     33       1.9426      2.00000
     34       1.9944      2.00000
     35       2.1597      2.00000
     36       2.1877      2.00000
     37       2.3080      2.00000
     38       2.4068      2.00000
     39       2.4398      2.00000
     40       2.4489      2.00000
     41       2.4894      2.00000
     42       2.5991      2.00000
     43       2.6096      2.00000
     44       2.6393      2.00000
     45       2.8044      2.00000
     46       2.8229      2.00000
     47       2.9217      2.00000
     48       2.9261      2.00000
     49       2.9703      2.00000
     50       3.1675      2.00000
     51       3.2353      2.00000
     52       3.4129      2.00000
     53       3.5251      2.00000
     54       3.6189      2.00000
     55       3.9341      2.00000
     56       4.0795      2.00000
     57       4.1668      2.00000
     58       4.5668      2.00000
     59       5.8325      1.95572
     60       6.1727     -0.03683
     61       6.5607     -0.00035
     62       7.3460     -0.00000
     63       7.9404     -0.00000
     64       8.1746     -0.00000
     65       8.6951     -0.00000
     66       9.1071     -0.00000
     67       9.1272     -0.00000
     68      10.9696     -0.00000
     69      11.3717     -0.00000
     70      11.5328      0.00000
     71      11.8244      0.00000
     72      12.2241      0.00000
     73      12.5831      0.00000
     74      13.1370      0.00000
     75      13.1485      0.00000
     76      13.2765      0.00000
     77      13.3374      0.00000
     78      13.7651      0.00000
     79      13.7964      0.00000
     80      13.9991      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6835      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.3525      2.00000
      9      -0.6588      2.00000
     10      -0.5367      2.00000
     11       0.0451      2.00000
     12       0.1881      2.00000
     13       0.4682      2.00000
     14       0.5510      2.00000
     15       0.6232      2.00000
     16       0.6391      2.00000
     17       0.7467      2.00000
     18       0.7819      2.00000
     19       0.9015      2.00000
     20       0.9116      2.00000
     21       0.9444      2.00000
     22       0.9747      2.00000
     23       1.0923      2.00000
     24       1.1232      2.00000
     25       1.1719      2.00000
     26       1.3700      2.00000
     27       1.4187      2.00000
     28       1.5830      2.00000
     29       1.6021      2.00000
     30       1.6588      2.00000
     31       1.7056      2.00000
     32       1.7644      2.00000
     33       1.9168      2.00000
     34       2.0132      2.00000
     35       2.0572      2.00000
     36       2.1776      2.00000
     37       2.1958      2.00000
     38       2.2627      2.00000
     39       2.4333      2.00000
     40       2.4653      2.00000
     41       2.5097      2.00000
     42       2.6153      2.00000
     43       2.6531      2.00000
     44       2.6968      2.00000
     45       2.7269      2.00000
     46       2.8207      2.00000
     47       2.8708      2.00000
     48       2.9628      2.00000
     49       3.0444      2.00000
     50       3.1070      2.00000
     51       3.1532      2.00000
     52       3.2842      2.00000
     53       3.4092      2.00000
     54       3.4943      2.00000
     55       3.7354      2.00000
     56       3.8603      2.00000
     57       4.9994      2.00000
     58       5.1475      2.00000
     59       5.6428      2.03672
     60       5.9972      0.88576
     61       6.7981     -0.00000
     62       7.3092     -0.00000
     63       7.4544     -0.00000
     64       7.6491     -0.00000
     65       8.0761     -0.00000
     66       8.1868     -0.00000
     67       9.9920     -0.00000
     68      10.3013     -0.00000
     69      10.4647     -0.00000
     70      11.0477     -0.00000
     71      11.1121     -0.00000
     72      11.5922      0.00000
     73      12.2922      0.00000
     74      12.3858      0.00000
     75      12.8957      0.00000
     76      13.1286      0.00000
     77      13.6604      0.00000
     78      13.8063      0.00000
     79      14.0691      0.00000
     80      14.3559      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9423      2.00000
      2     -39.9382      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6248      2.00000
      7     -39.6158      2.00000
      8      -0.8982      2.00000
      9      -0.3630      2.00000
     10      -0.0485      2.00000
     11       0.0249      2.00000
     12       0.4681      2.00000
     13       0.4948      2.00000
     14       0.5778      2.00000
     15       0.6878      2.00000
     16       0.7336      2.00000
     17       0.7687      2.00000
     18       0.8230      2.00000
     19       0.8730      2.00000
     20       0.9904      2.00000
     21       1.0128      2.00000
     22       1.1198      2.00000
     23       1.2410      2.00000
     24       1.3298      2.00000
     25       1.3837      2.00000
     26       1.4606      2.00000
     27       1.5105      2.00000
     28       1.5428      2.00000
     29       1.5922      2.00000
     30       1.7415      2.00000
     31       1.7902      2.00000
     32       1.8548      2.00000
     33       1.8943      2.00000
     34       1.9550      2.00000
     35       2.0034      2.00000
     36       2.0980      2.00000
     37       2.1623      2.00000
     38       2.2121      2.00000
     39       2.2414      2.00000
     40       2.3033      2.00000
     41       2.5323      2.00000
     42       2.5812      2.00000
     43       2.6256      2.00000
     44       2.7010      2.00000
     45       2.7097      2.00000
     46       2.8285      2.00000
     47       2.8591      2.00000
     48       2.8965      2.00000
     49       2.9375      2.00000
     50       3.0273      2.00000
     51       3.1133      2.00000
     52       3.2511      2.00000
     53       3.3230      2.00000
     54       3.3868      2.00000
     55       3.4759      2.00000
     56       3.6911      2.00000
     57       4.6558      2.00000
     58       5.3770      2.00015
     59       5.6083      2.02330
     60       5.8008      2.02769
     61       6.6989     -0.00001
     62       6.9211     -0.00000
     63       7.0836     -0.00000
     64       7.2060     -0.00000
     65       8.4282     -0.00000
     66       8.5005     -0.00000
     67       8.6177     -0.00000
     68       8.8273     -0.00000
     69       9.1887     -0.00000
     70       9.6235     -0.00000
     71      10.8969     -0.00000
     72      11.0831     -0.00000
     73      11.3036     -0.00000
     74      11.8513      0.00000
     75      12.7167      0.00000
     76      12.9974      0.00000
     77      13.4514      0.00000
     78      13.6676      0.00000
     79      13.9698      0.00000
     80      14.3010      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3693      2.00000
      9      -0.1203      2.00000
     10       0.0976      2.00000
     11       0.1739      2.00000
     12       0.4577      2.00000
     13       0.5242      2.00000
     14       0.5802      2.00000
     15       0.6409      2.00000
     16       0.7441      2.00000
     17       0.8927      2.00000
     18       0.9425      2.00000
     19       1.0609      2.00000
     20       1.1423      2.00000
     21       1.1885      2.00000
     22       1.2231      2.00000
     23       1.3050      2.00000
     24       1.3893      2.00000
     25       1.4836      2.00000
     26       1.4966      2.00000
     27       1.5290      2.00000
     28       1.6136      2.00000
     29       1.7058      2.00000
     30       1.7321      2.00000
     31       1.8166      2.00000
     32       1.8842      2.00000
     33       1.9584      2.00000
     34       2.0277      2.00000
     35       2.0920      2.00000
     36       2.1633      2.00000
     37       2.2346      2.00000
     38       2.2888      2.00000
     39       2.3009      2.00000
     40       2.3538      2.00000
     41       2.4076      2.00000
     42       2.5122      2.00000
     43       2.5400      2.00000
     44       2.5547      2.00000
     45       2.6132      2.00000
     46       2.6803      2.00000
     47       2.7375      2.00000
     48       2.7923      2.00000
     49       2.9311      2.00000
     50       3.0240      2.00000
     51       3.1126      2.00000
     52       3.1619      2.00000
     53       3.3018      2.00000
     54       3.5071      2.00000
     55       3.5699      2.00000
     56       3.9304      2.00000
     57       4.1652      2.00000
     58       4.3959      2.00000
     59       5.2430      2.00000
     60       5.8063      2.01824
     61       5.9352      1.39723
     62       6.2104     -0.06803
     63       6.4395     -0.00587
     64       6.9341     -0.00000
     65       7.8106     -0.00000
     66       8.0229     -0.00000
     67       8.7961     -0.00000
     68       9.1440     -0.00000
     69       9.6850     -0.00000
     70       9.7744     -0.00000
     71      10.3117     -0.00000
     72      10.5407     -0.00000
     73      10.9652     -0.00000
     74      11.7919      0.00000
     75      12.5112      0.00000
     76      12.6579      0.00000
     77      13.2657      0.00000
     78      13.6921      0.00000
     79      14.2864      0.00000
     80      14.3817      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6187      2.00000
      8      -0.4429      2.00000
      9      -0.1365      2.00000
     10      -0.0142      2.00000
     11       0.1291      2.00000
     12       0.5428      2.00000
     13       0.5853      2.00000
     14       0.6464      2.00000
     15       0.7722      2.00000
     16       0.7919      2.00000
     17       0.9126      2.00000
     18       0.9641      2.00000
     19       1.0434      2.00000
     20       1.1087      2.00000
     21       1.1437      2.00000
     22       1.2268      2.00000
     23       1.3266      2.00000
     24       1.3774      2.00000
     25       1.3977      2.00000
     26       1.4747      2.00000
     27       1.5894      2.00000
     28       1.6558      2.00000
     29       1.7005      2.00000
     30       1.7598      2.00000
     31       1.8124      2.00000
     32       1.8716      2.00000
     33       1.8850      2.00000
     34       1.9812      2.00000
     35       2.0992      2.00000
     36       2.1671      2.00000
     37       2.1948      2.00000
     38       2.2325      2.00000
     39       2.2887      2.00000
     40       2.3677      2.00000
     41       2.4374      2.00000
     42       2.4787      2.00000
     43       2.5282      2.00000
     44       2.6035      2.00000
     45       2.6267      2.00000
     46       2.7092      2.00000
     47       2.7504      2.00000
     48       2.8027      2.00000
     49       2.8506      2.00000
     50       3.1142      2.00000
     51       3.1194      2.00000
     52       3.3220      2.00000
     53       3.4405      2.00000
     54       3.5502      2.00000
     55       3.5835      2.00000
     56       3.7417      2.00000
     57       4.3355      2.00000
     58       4.5302      2.00000
     59       5.1055      2.00000
     60       5.5871      2.01687
     61       5.6823      2.05468
     62       6.4060     -0.01097
     63       6.4795     -0.00254
     64       6.8150     -0.00000
     65       6.9493     -0.00000
     66       7.3434     -0.00000
     67       9.0602     -0.00000
     68       9.2502     -0.00000
     69      10.2321     -0.00000
     70      10.5440     -0.00000
     71      10.8322     -0.00000
     72      11.4657      0.00000
     73      11.5454      0.00000
     74      11.8144      0.00000
     75      12.1815      0.00000
     76      12.6040      0.00000
     77      12.9192      0.00000
     78      13.0675      0.00000
     79      13.8605      0.00000
     80      14.2190      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6247      2.00000
      7     -39.6158      2.00000
      8      -1.1093      2.00000
      9      -0.3104      2.00000
     10      -0.1595      2.00000
     11       0.2289      2.00000
     12       0.4834      2.00000
     13       0.5450      2.00000
     14       0.5730      2.00000
     15       0.6545      2.00000
     16       0.7624      2.00000
     17       0.8508      2.00000
     18       0.9203      2.00000
     19       1.0146      2.00000
     20       1.0817      2.00000
     21       1.1169      2.00000
     22       1.1559      2.00000
     23       1.1790      2.00000
     24       1.2180      2.00000
     25       1.2554      2.00000
     26       1.3452      2.00000
     27       1.4776      2.00000
     28       1.5397      2.00000
     29       1.6273      2.00000
     30       1.6709      2.00000
     31       1.7826      2.00000
     32       1.8254      2.00000
     33       1.9460      2.00000
     34       2.0159      2.00000
     35       2.0803      2.00000
     36       2.1465      2.00000
     37       2.2062      2.00000
     38       2.2241      2.00000
     39       2.2800      2.00000
     40       2.3185      2.00000
     41       2.5110      2.00000
     42       2.5952      2.00000
     43       2.6213      2.00000
     44       2.6905      2.00000
     45       2.7191      2.00000
     46       2.7611      2.00000
     47       2.7960      2.00000
     48       2.9154      2.00000
     49       2.9769      2.00000
     50       3.0435      2.00000
     51       3.1148      2.00000
     52       3.1878      2.00000
     53       3.3994      2.00000
     54       3.4400      2.00000
     55       3.5392      2.00000
     56       3.6932      2.00000
     57       4.5032      2.00000
     58       4.7525      2.00000
     59       5.3497      2.00007
     60       5.9141      1.55103
     61       6.4378     -0.00607
     62       6.7746     -0.00000
     63       7.0976     -0.00000
     64       7.3498     -0.00000
     65       7.9647     -0.00000
     66       8.6152     -0.00000
     67       8.7502     -0.00000
     68       9.3913     -0.00000
     69       9.8179     -0.00000
     70       9.9087     -0.00000
     71      10.5810     -0.00000
     72      11.1470     -0.00000
     73      11.8559      0.00000
     74      12.1824      0.00000
     75      12.5427      0.00000
     76      13.1764      0.00000
     77      13.9290      0.00000
     78      13.9799      0.00000
     79      14.3177      0.00000
     80      14.4227      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.5441      2.00000
      9      -0.6323      2.00000
     10      -0.3651      2.00000
     11       0.1815      2.00000
     12       0.2342      2.00000
     13       0.4410      2.00000
     14       0.5166      2.00000
     15       0.5878      2.00000
     16       0.6229      2.00000
     17       0.6902      2.00000
     18       0.8046      2.00000
     19       0.9121      2.00000
     20       0.9389      2.00000
     21       0.9769      2.00000
     22       1.0428      2.00000
     23       1.1213      2.00000
     24       1.1457      2.00000
     25       1.2443      2.00000
     26       1.2611      2.00000
     27       1.3748      2.00000
     28       1.5807      2.00000
     29       1.6323      2.00000
     30       1.6951      2.00000
     31       1.7377      2.00000
     32       1.8096      2.00000
     33       1.8463      2.00000
     34       1.9772      2.00000
     35       2.0101      2.00000
     36       2.1029      2.00000
     37       2.2978      2.00000
     38       2.3321      2.00000
     39       2.4259      2.00000
     40       2.5004      2.00000
     41       2.5054      2.00000
     42       2.5774      2.00000
     43       2.6525      2.00000
     44       2.6677      2.00000
     45       2.7764      2.00000
     46       2.8199      2.00000
     47       2.8685      2.00000
     48       3.0325      2.00000
     49       3.0736      2.00000
     50       3.1748      2.00000
     51       3.2212      2.00000
     52       3.2801      2.00000
     53       3.3739      2.00000
     54       3.5584      2.00000
     55       3.7629      2.00000
     56       3.7862      2.00000
     57       3.9653      2.00000
     58       4.7010      2.00000
     59       5.6156      2.02585
     60       6.4983     -0.00166
     61       6.7653     -0.00000
     62       7.4370     -0.00000
     63       7.8657     -0.00000
     64       7.9293     -0.00000
     65       8.3826     -0.00000
     66       9.0066     -0.00000
     67       9.1658     -0.00000
     68       9.9842     -0.00000
     69      10.4735     -0.00000
     70      10.6404     -0.00000
     71      11.0824     -0.00000
     72      11.4309     -0.00000
     73      12.0506      0.00000
     74      12.5809      0.00000
     75      12.9712      0.00000
     76      13.2643      0.00000
     77      13.4414      0.00000
     78      13.8730      0.00000
     79      14.2338      0.00000
     80      14.4638      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9437      2.00000
      2     -39.9370      2.00000
      3     -39.8491      2.00000
      4     -39.6841      2.00000
      5     -39.6836      2.00000
      6     -39.6274      2.00000
      7     -39.6131      2.00000
      8      -1.6030      2.00000
      9      -0.7733      2.00000
     10      -0.6507      2.00000
     11       0.0705      2.00000
     12       0.1799      2.00000
     13       0.3475      2.00000
     14       0.4024      2.00000
     15       0.5672      2.00000
     16       0.6153      2.00000
     17       0.7319      2.00000
     18       0.7807      2.00000
     19       0.8361      2.00000
     20       0.9025      2.00000
     21       0.9242      2.00000
     22       1.0577      2.00000
     23       1.1071      2.00000
     24       1.1426      2.00000
     25       1.2339      2.00000
     26       1.2422      2.00000
     27       1.2565      2.00000
     28       1.4575      2.00000
     29       1.5825      2.00000
     30       1.6104      2.00000
     31       1.7383      2.00000
     32       1.7792      2.00000
     33       1.9011      2.00000
     34       2.1067      2.00000
     35       2.1423      2.00000
     36       2.3290      2.00000
     37       2.3360      2.00000
     38       2.3780      2.00000
     39       2.4127      2.00000
     40       2.4469      2.00000
     41       2.5162      2.00000
     42       2.6082      2.00000
     43       2.6258      2.00000
     44       2.7062      2.00000
     45       2.7790      2.00000
     46       2.8226      2.00000
     47       2.8688      2.00000
     48       2.9390      2.00000
     49       3.0092      2.00000
     50       3.1552      2.00000
     51       3.2014      2.00000
     52       3.3539      2.00000
     53       3.5631      2.00000
     54       3.6101      2.00000
     55       3.9280      2.00000
     56       4.0345      2.00000
     57       4.1800      2.00000
     58       4.5067      2.00000
     59       5.6873      2.05691
     60       6.2002     -0.06344
     61       6.6593     -0.00002
     62       7.4835     -0.00000
     63       7.8373     -0.00000
     64       8.0383     -0.00000
     65       8.7730     -0.00000
     66       9.3194     -0.00000
     67       9.6826     -0.00000
     68      10.7269     -0.00000
     69      10.8151     -0.00000
     70      11.3700     -0.00000
     71      11.9517      0.00000
     72      12.0196      0.00000
     73      12.4720      0.00000
     74      12.8600      0.00000
     75      12.9765      0.00000
     76      13.2351      0.00000
     77      13.3636      0.00000
     78      13.8115      0.00000
     79      13.9324      0.00000
     80      14.2608      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9433      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.3871      2.00000
      9      -0.7333      2.00000
     10      -0.4561      2.00000
     11       0.1164      2.00000
     12       0.1888      2.00000
     13       0.4795      2.00000
     14       0.5486      2.00000
     15       0.6316      2.00000
     16       0.6348      2.00000
     17       0.7433      2.00000
     18       0.7606      2.00000
     19       0.9216      2.00000
     20       0.9323      2.00000
     21       0.9445      2.00000
     22       0.9740      2.00000
     23       1.1111      2.00000
     24       1.1544      2.00000
     25       1.1764      2.00000
     26       1.3599      2.00000
     27       1.3729      2.00000
     28       1.5003      2.00000
     29       1.6035      2.00000
     30       1.6104      2.00000
     31       1.7854      2.00000
     32       1.8310      2.00000
     33       1.9455      2.00000
     34       1.9688      2.00000
     35       2.1462      2.00000
     36       2.1853      2.00000
     37       2.2109      2.00000
     38       2.2406      2.00000
     39       2.2871      2.00000
     40       2.5272      2.00000
     41       2.5575      2.00000
     42       2.5993      2.00000
     43       2.6690      2.00000
     44       2.7224      2.00000
     45       2.7901      2.00000
     46       2.8706      2.00000
     47       2.9460      2.00000
     48       2.9755      2.00000
     49       3.0772      2.00000
     50       3.1265      2.00000
     51       3.1862      2.00000
     52       3.2752      2.00000
     53       3.3776      2.00000
     54       3.5343      2.00000
     55       3.7168      2.00000
     56       3.8691      2.00000
     57       3.9904      2.00000
     58       4.2947      2.00000
     59       6.1905     -0.05660
     60       6.6231     -0.00006
     61       7.0897     -0.00000
     62       7.3094     -0.00000
     63       7.9537     -0.00000
     64       8.1591     -0.00000
     65       8.3423     -0.00000
     66       8.7540     -0.00000
     67       9.5956     -0.00000
     68       9.8118     -0.00000
     69      10.1156     -0.00000
     70      10.2867     -0.00000
     71      10.8142     -0.00000
     72      11.2849     -0.00000
     73      11.9595      0.00000
     74      12.1755      0.00000
     75      12.5682      0.00000
     76      13.0785      0.00000
     77      13.4781      0.00000
     78      13.7506      0.00000
     79      14.2762      0.00000
     80      14.5509      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9423      2.00000
      2     -39.9382      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6836      2.00000
      6     -39.6248      2.00000
      7     -39.6158      2.00000
      8      -0.9130      2.00000
      9      -0.4586      2.00000
     10       0.0513      2.00000
     11       0.1029      2.00000
     12       0.3919      2.00000
     13       0.4956      2.00000
     14       0.6395      2.00000
     15       0.6700      2.00000
     16       0.7323      2.00000
     17       0.7746      2.00000
     18       0.8172      2.00000
     19       0.9027      2.00000
     20       1.0131      2.00000
     21       1.0323      2.00000
     22       1.1107      2.00000
     23       1.2234      2.00000
     24       1.2600      2.00000
     25       1.2807      2.00000
     26       1.3760      2.00000
     27       1.4593      2.00000
     28       1.6638      2.00000
     29       1.6933      2.00000
     30       1.7799      2.00000
     31       1.8092      2.00000
     32       1.8370      2.00000
     33       1.8900      2.00000
     34       1.9532      2.00000
     35       1.9772      2.00000
     36       2.0181      2.00000
     37       2.2103      2.00000
     38       2.2846      2.00000
     39       2.3386      2.00000
     40       2.4618      2.00000
     41       2.5026      2.00000
     42       2.5479      2.00000
     43       2.6572      2.00000
     44       2.6789      2.00000
     45       2.7172      2.00000
     46       2.7397      2.00000
     47       2.8423      2.00000
     48       2.8604      2.00000
     49       2.8869      2.00000
     50       3.0575      2.00000
     51       3.1490      2.00000
     52       3.3123      2.00000
     53       3.3173      2.00000
     54       3.5606      2.00000
     55       3.7153      2.00000
     56       3.7939      2.00000
     57       3.9876      2.00000
     58       4.6108      2.00000
     59       4.7777      2.00000
     60       6.5406     -0.00059
     61       7.0037     -0.00000
     62       7.4717     -0.00000
     63       7.5737     -0.00000
     64       7.7847     -0.00000
     65       7.9735     -0.00000
     66       8.7164     -0.00000
     67       8.8687     -0.00000
     68       9.1439     -0.00000
     69       9.5570     -0.00000
     70       9.5871     -0.00000
     71       9.7907     -0.00000
     72      10.0683     -0.00000
     73      11.4268     -0.00000
     74      11.7232      0.00000
     75      11.8493      0.00000
     76      12.9612      0.00000
     77      13.2692      0.00000
     78      13.9802      0.00000
     79      14.2347      0.00000
     80      14.6235      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9409      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6220      2.00000
      7     -39.6187      2.00000
      8      -0.3656      2.00000
      9      -0.1211      2.00000
     10       0.1045      2.00000
     11       0.1505      2.00000
     12       0.4139      2.00000
     13       0.5310      2.00000
     14       0.6007      2.00000
     15       0.6968      2.00000
     16       0.7677      2.00000
     17       0.8815      2.00000
     18       0.9310      2.00000
     19       1.0638      2.00000
     20       1.1082      2.00000
     21       1.1766      2.00000
     22       1.1980      2.00000
     23       1.3329      2.00000
     24       1.3760      2.00000
     25       1.4386      2.00000
     26       1.4938      2.00000
     27       1.6494      2.00000
     28       1.6827      2.00000
     29       1.7179      2.00000
     30       1.7236      2.00000
     31       1.8223      2.00000
     32       1.8533      2.00000
     33       1.9231      2.00000
     34       1.9915      2.00000
     35       2.1052      2.00000
     36       2.1477      2.00000
     37       2.2290      2.00000
     38       2.2592      2.00000
     39       2.3338      2.00000
     40       2.3684      2.00000
     41       2.4163      2.00000
     42       2.5031      2.00000
     43       2.5525      2.00000
     44       2.5716      2.00000
     45       2.6208      2.00000
     46       2.6604      2.00000
     47       2.7101      2.00000
     48       2.7660      2.00000
     49       2.8475      2.00000
     50       3.0539      2.00000
     51       3.1019      2.00000
     52       3.1542      2.00000
     53       3.1981      2.00000
     54       3.4628      2.00000
     55       3.5680      2.00000
     56       3.9468      2.00000
     57       4.6037      2.00000
     58       4.6638      2.00000
     59       5.0768      2.00000
     60       5.6267      2.03003
     61       5.7359      2.07085
     62       6.0482      0.48465
     63       6.3370     -0.03149
     64       6.9158     -0.00000
     65       7.6253     -0.00000
     66       8.4145     -0.00000
     67       8.9530     -0.00000
     68       9.3088     -0.00000
     69       9.4384     -0.00000
     70       9.7790     -0.00000
     71      10.5623     -0.00000
     72      11.0211     -0.00000
     73      11.4026     -0.00000
     74      11.6792      0.00000
     75      12.0817      0.00000
     76      12.4514      0.00000
     77      12.7427      0.00000
     78      13.5574      0.00000
     79      13.8882      0.00000
     80      14.1373      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9410      2.00000
      2     -39.9394      2.00000
      3     -39.8485      2.00000
      4     -39.6837      2.00000
      5     -39.6835      2.00000
      6     -39.6219      2.00000
      7     -39.6187      2.00000
      8      -0.4296      2.00000
      9      -0.1875      2.00000
     10       0.0456      2.00000
     11       0.1345      2.00000
     12       0.5230      2.00000
     13       0.5783      2.00000
     14       0.6713      2.00000
     15       0.7419      2.00000
     16       0.7870      2.00000
     17       0.8644      2.00000
     18       0.9449      2.00000
     19       1.0820      2.00000
     20       1.1077      2.00000
     21       1.1940      2.00000
     22       1.2667      2.00000
     23       1.2834      2.00000
     24       1.3561      2.00000
     25       1.3968      2.00000
     26       1.4534      2.00000
     27       1.5370      2.00000
     28       1.6541      2.00000
     29       1.7302      2.00000
     30       1.7634      2.00000
     31       1.8153      2.00000
     32       1.8412      2.00000
     33       1.9445      2.00000
     34       2.0396      2.00000
     35       2.0668      2.00000
     36       2.1146      2.00000
     37       2.2249      2.00000
     38       2.2601      2.00000
     39       2.2644      2.00000
     40       2.4230      2.00000
     41       2.4466      2.00000
     42       2.4548      2.00000
     43       2.5325      2.00000
     44       2.6129      2.00000
     45       2.6254      2.00000
     46       2.6901      2.00000
     47       2.7702      2.00000
     48       2.7808      2.00000
     49       2.8575      2.00000
     50       3.0675      2.00000
     51       3.1491      2.00000
     52       3.2248      2.00000
     53       3.4495      2.00000
     54       3.5323      2.00000
     55       3.6273      2.00000
     56       4.0262      2.00000
     57       4.4769      2.00000
     58       4.5400      2.00000
     59       4.8155      2.00000
     60       5.1341      2.00000
     61       5.6262      2.02985
     62       6.1001      0.17638
     63       6.3557     -0.02447
     64       7.5285     -0.00000
     65       7.6851     -0.00000
     66       8.0052     -0.00000
     67       8.3622     -0.00000
     68       8.9302     -0.00000
     69       9.6389     -0.00000
     70      10.2341     -0.00000
     71      10.4241     -0.00000
     72      11.2349     -0.00000
     73      11.6273      0.00000
     74      12.1990      0.00000
     75      12.4409      0.00000
     76      12.5632      0.00000
     77      13.3662      0.00000
     78      13.6034      0.00000
     79      14.1275      0.00000
     80      14.2689      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9424      2.00000
      2     -39.9381      2.00000
      3     -39.8487      2.00000
      4     -39.6838      2.00000
      5     -39.6835      2.00000
      6     -39.6247      2.00000
      7     -39.6158      2.00000
      8      -1.0450      2.00000
      9      -0.4677      2.00000
     10      -0.0700      2.00000
     11       0.3240      2.00000
     12       0.4342      2.00000
     13       0.5119      2.00000
     14       0.5660      2.00000
     15       0.6422      2.00000
     16       0.7372      2.00000
     17       0.8116      2.00000
     18       0.9114      2.00000
     19       0.9802      2.00000
     20       1.0125      2.00000
     21       1.0908      2.00000
     22       1.1806      2.00000
     23       1.2016      2.00000
     24       1.2958      2.00000
     25       1.3376      2.00000
     26       1.3621      2.00000
     27       1.4299      2.00000
     28       1.4930      2.00000
     29       1.5967      2.00000
     30       1.7596      2.00000
     31       1.8310      2.00000
     32       1.8501      2.00000
     33       1.9088      2.00000
     34       1.9618      2.00000
     35       2.0213      2.00000
     36       2.1061      2.00000
     37       2.1689      2.00000
     38       2.2389      2.00000
     39       2.3140      2.00000
     40       2.4307      2.00000
     41       2.4700      2.00000
     42       2.4816      2.00000
     43       2.6243      2.00000
     44       2.6566      2.00000
     45       2.7409      2.00000
     46       2.7819      2.00000
     47       2.8277      2.00000
     48       2.9081      2.00000
     49       3.0025      2.00000
     50       3.0586      2.00000
     51       3.1241      2.00000
     52       3.2064      2.00000
     53       3.2918      2.00000
     54       3.4604      2.00000
     55       3.6210      2.00000
     56       3.8210      2.00000
     57       4.7424      2.00000
     58       5.1949      2.00000
     59       5.2846      2.00001
     60       5.5680      2.01231
     61       6.2991     -0.04825
     62       6.4963     -0.00174
     63       7.2324     -0.00000
     64       7.3348     -0.00000
     65       7.6649     -0.00000
     66       8.0355     -0.00000
     67       8.8844     -0.00000
     68       9.6019     -0.00000
     69       9.9623     -0.00000
     70      10.4469     -0.00000
     71      10.6350     -0.00000
     72      10.9271     -0.00000
     73      11.2825     -0.00000
     74      12.4462      0.00000
     75      12.9500      0.00000
     76      13.2827      0.00000
     77      13.5413      0.00000
     78      14.0713      0.00000
     79      14.1933      0.00000
     80      14.7971      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9434      2.00000
      2     -39.9373      2.00000
      3     -39.8490      2.00000
      4     -39.6840      2.00000
      5     -39.6836      2.00000
      6     -39.6267      2.00000
      7     -39.6138      2.00000
      8      -1.4812      2.00000
      9      -0.7345      2.00000
     10      -0.3480      2.00000
     11       0.1516      2.00000
     12       0.2187      2.00000
     13       0.4683      2.00000
     14       0.5222      2.00000
     15       0.6097      2.00000
     16       0.6246      2.00000
     17       0.6612      2.00000
     18       0.8158      2.00000
     19       0.8784      2.00000
     20       0.9310      2.00000
     21       0.9747      2.00000
     22       0.9871      2.00000
     23       1.1367      2.00000
     24       1.1656      2.00000
     25       1.2431      2.00000
     26       1.3215      2.00000
     27       1.4218      2.00000
     28       1.5279      2.00000
     29       1.5872      2.00000
     30       1.6044      2.00000
     31       1.6809      2.00000
     32       1.8791      2.00000
     33       1.9501      2.00000
     34       1.9997      2.00000
     35       2.0705      2.00000
     36       2.1871      2.00000
     37       2.2355      2.00000
     38       2.3128      2.00000
     39       2.3248      2.00000
     40       2.4405      2.00000
     41       2.4497      2.00000
     42       2.6024      2.00000
     43       2.6486      2.00000
     44       2.7254      2.00000
     45       2.7472      2.00000
     46       2.8085      2.00000
     47       2.9334      2.00000
     48       2.9777      2.00000
     49       3.0848      2.00000
     50       3.1376      2.00000
     51       3.1731      2.00000
     52       3.2697      2.00000
     53       3.3500      2.00000
     54       3.5859      2.00000
     55       3.7562      2.00000
     56       3.7908      2.00000
     57       4.5983      2.00000
     58       5.1510      2.00000
     59       5.7014      2.06270
     60       6.0573      0.42149
     61       6.4236     -0.00797
     62       6.8809     -0.00000
     63       7.2136     -0.00000
     64       7.8823     -0.00000
     65       8.8775     -0.00000
     66       8.9120     -0.00000
     67       9.2442     -0.00000
     68       9.9130     -0.00000
     69      10.0071     -0.00000
     70      11.6117      0.00000
     71      11.9066      0.00000
     72      12.0424      0.00000
     73      12.1681      0.00000
     74      12.4285      0.00000
     75      12.8819      0.00000
     76      13.2628      0.00000
     77      13.5543      0.00000
     78      13.7588      0.00000
     79      13.9349      0.00000
     80      14.4615      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.176  -0.000  -0.000  -0.003  -0.000  -5.386  -0.000  -0.000
 -0.000  -5.174  -0.002   0.001  -0.001  -0.000  -5.384  -0.002
 -0.000  -0.002  -5.177  -0.001  -0.006  -0.000  -0.002  -5.387
 -0.003   0.001  -0.001  -5.182   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.163  -0.000  -0.001  -0.006
 -5.386  -0.000  -0.000  -0.003  -0.000  -5.579  -0.000  -0.000
 -0.000  -5.384  -0.002   0.001  -0.001  -0.000  -5.577  -0.002
 -0.000  -0.002  -5.387  -0.001  -0.006  -0.000  -0.002  -5.580
 -0.003   0.001  -0.001  -5.392   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.373  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.006   0.010   0.031   0.011   0.009  -1.153  -0.014  -0.026  -0.046  -0.015   0.020  -0.005  -0.012   0.007   0.353  -0.000
  0.010   3.060  -0.258   0.021  -0.206  -0.014  -1.047   0.215  -0.011   0.162  -0.079   0.017  -0.004   0.167   0.008   0.001
  0.031  -0.258   2.631   0.008  -0.298  -0.026   0.215  -0.679  -0.018   0.220   0.085  -0.036  -0.110  -0.021  -0.003   0.006
  0.011   0.021   0.008   2.931   0.013  -0.046  -0.011  -0.018  -1.089  -0.006  -0.021   0.004   0.010   0.004  -0.012  -0.000
  0.009  -0.206  -0.298   0.013   3.068  -0.015   0.162   0.220  -0.006  -1.006  -0.136   0.065   0.048  -0.003   0.018   0.008
 -1.153  -0.014  -0.026  -0.046  -0.015   1.206   0.017   0.022   0.077   0.019  -0.018   0.005   0.012  -0.006  -0.286  -0.000
 -0.014  -1.047   0.215  -0.011   0.162   0.017   0.967  -0.174   0.003  -0.120   0.073  -0.020  -0.006  -0.132  -0.007   0.000
 -0.026   0.215  -0.679  -0.018   0.220   0.022  -0.174   0.663   0.025  -0.153  -0.092   0.047   0.083   0.025   0.001  -0.002
 -0.046  -0.011  -0.018  -1.089  -0.006   0.077   0.003   0.025   1.145   0.001   0.020  -0.005  -0.009  -0.002   0.004   0.000
 -0.015   0.162   0.220  -0.006  -1.006   0.019  -0.120  -0.153   0.001   0.898   0.127  -0.071  -0.051   0.004  -0.014  -0.000
  0.020  -0.079   0.085  -0.021  -0.136  -0.018   0.073  -0.092   0.020   0.127   2.086  -0.308  -0.038  -0.000   0.002   0.002
 -0.005   0.017  -0.036   0.004   0.065   0.005  -0.020   0.047  -0.005  -0.071  -0.308   0.125   0.058  -0.004   0.002  -0.002
 -0.012  -0.004  -0.110   0.010   0.048   0.012  -0.006   0.083  -0.009  -0.051  -0.038   0.058   0.131   0.008  -0.001  -0.003
  0.007   0.167  -0.021   0.004  -0.003  -0.006  -0.132   0.025  -0.002   0.004  -0.000  -0.004   0.008   0.124   0.002  -0.000
  0.353   0.008  -0.003  -0.012   0.018  -0.286  -0.007   0.001   0.004  -0.014   0.002   0.002  -0.001   0.002   0.156   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.69
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.66: real time    6.68
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction         EDDAV:  cpu time   13.27: real time   13.33
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.02: real time   15.09

 eigenvalue-minimisations  :  5184
 total energy-change (2. order) : 0.1081498E-06  (-0.6603202E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516495 magnetization 

 Broyden mixing:
  rms(total) = 0.84710E-04    rms(broyden)= 0.84699E-04
  rms(prec ) = 0.91905E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4260
  2.3073  1.8447  1.0827  1.0827  0.8126

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91269447
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46895068
  PAW double counting   =      9487.36628523    -9415.33927093
  entropy T*S    EENTRO =         0.00489196
  eigenvalues    EBANDS =      -338.40522305
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768996 eV

  energy without entropy =      -49.88258192  energy(sigma->0) =      -49.87932062
26248  0.100973465  0.081139161
    -3.915777078  8.718776557  0.868734388     0.002660596  0.115559831  0.003312808
    -2.333676977 -0.151904082  7.173062901    -0.005070027 -0.015969786  0.137422790

  length of vectors
     4.115924374  9.597138855  7.544663973     0.275215899  0.115637918  0.138440466


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.324E+01 -.153E+03 0.266E+02   0.341E+01 0.156E+03 -.269E+02   -.168E+00 -.283E+01 0.355E+00   0.108E-04 0.895E-04 -.105E-04
   0.321E+01 0.153E+03 -.266E+02   -.338E+01 -.156E+03 0.269E+02   0.169E+00 0.283E+01 -.356E+00   -.964E-05 -.845E-04 0.104E-04
   0.311E+01 0.144E+03 0.734E+01   -.322E+01 -.145E+03 -.714E+01   0.101E+00 0.130E+01 -.195E+00   0.120E-04 -.925E-04 -.655E-05
   0.122E+00 -.642E+02 -.404E+02   -.989E-01 0.639E+02 0.412E+02   -.250E-01 0.339E+00 -.844E+00   0.308E-04 0.130E-04 0.495E-04
   0.577E+01 0.956E+02 -.950E+02   -.585E+01 -.969E+02 0.964E+02   0.860E-01 0.126E+01 -.141E+01   -.264E-04 -.406E-04 0.197E-03
   -.581E-01 0.239E-01 -.329E-01   0.579E-01 -.242E-01 0.330E-01   0.127E-02 -.465E-03 0.389E-03   0.490E-05 -.125E-05 0.884E-06
   -.574E+01 -.957E+02 0.951E+02   0.582E+01 0.969E+02 -.965E+02   -.866E-01 -.126E+01 0.141E+01   0.252E-04 0.459E-04 -.201E-03
   -.307E+01 -.144E+03 -.734E+01   0.317E+01 0.145E+03 0.715E+01   -.102E+00 -.130E+01 0.196E+00   -.213E-04 0.941E-04 0.716E-05
   -.123E+00 0.642E+02 0.404E+02   0.100E+00 -.639E+02 -.412E+02   0.251E-01 -.338E+00 0.846E+00   -.348E-04 -.173E-04 -.449E-04
   0.118E-01 0.352E-02 -.304E-02   -.116E-01 -.353E-02 0.281E-02   -.467E-03 0.129E-03 0.287E-03   -.826E-07 -.213E-06 -.989E-07
   0.909E+00 0.904E+01 -.276E+02   -.913E+00 -.887E+01 0.275E+02   0.315E-02 -.158E+00 0.780E-01   -.229E-06 -.686E-05 0.321E-04
   -.908E+00 -.905E+01 0.276E+02   0.913E+00 0.889E+01 -.275E+02   -.363E-02 0.160E+00 -.779E-01   0.826E-06 0.672E-05 -.318E-04
   0.823E+00 -.820E+01 -.209E+02   -.784E+00 0.824E+01 0.206E+02   -.408E-01 -.422E-01 0.262E+00   -.344E-05 0.387E-05 -.131E-04
   -.153E+01 -.611E+02 0.325E+01   0.153E+01 0.610E+02 -.354E+01   -.299E-03 0.744E-01 0.282E+00   0.136E-05 0.246E-04 -.130E-04
   -.810E+00 0.820E+01 0.208E+02   0.771E+00 -.824E+01 -.206E+02   0.400E-01 0.427E-01 -.261E+00   0.339E-05 -.430E-05 0.134E-04
   0.152E+01 0.611E+02 -.323E+01   -.152E+01 -.610E+02 0.352E+01   0.391E-03 -.745E-01 -.283E+00   -.890E-06 -.248E-04 0.128E-04
 -----------------------------------------------------------------------------------------------
   0.345E-03 0.204E-03 0.143E-03   0.264E-13 0.114E-12 0.231E-13   -.445E-03 0.100E-02 0.317E-03   -.737E-05 0.544E-05 0.201E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07992      6.29807      7.87476        -0.000977     -0.021720     -0.003116
     -2.91622      8.08851      4.49112         0.001711      0.021427      0.003144
     -1.04950      1.12550      4.62417        -0.002663      0.004181     -0.002695
     -2.90659      5.20760      2.38830        -0.002109     -0.001788     -0.019563
      1.19435      1.82595      0.30151         0.006148      0.001541     -0.019087
     -3.09647      2.88335      5.67841         0.001018     -0.000796      0.000451
     -0.94094      3.99362      4.02274        -0.006604     -0.001180      0.017849
     -1.03076      4.54239      6.87287         0.002021     -0.004741      0.002805
      3.15997      0.61140      1.93547         0.002245      0.001907      0.020397
     -5.05406      7.24269      6.11275        -0.000175      0.000046      0.000031
     -0.84846      3.61496      1.24315        -0.001488      0.006341     -0.002532
      1.10192      2.20407      3.08103         0.001124     -0.005333      0.002352
     -0.84847      6.66117      3.42226        -0.001746     -0.000937     -0.000585
     -3.00385      5.47742      5.12574        -0.000281     -0.003012     -0.000513
     -2.81378      7.87687      1.77049         0.001295      0.001470      0.000758
      0.92359      0.19052      6.37136         0.000480      0.002595      0.000302
 -----------------------------------------------------------------------------------
    total drift:                               -0.000108      0.001209      0.000462


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87499799 eV

  energy  without entropy=      -49.87967004  energy(sigma->0) =      -49.87655534
 
 d Force = 0.9793333E-04[ 0.831E-04, 0.113E-03]  d Energy = 0.1815090E-02-0.172E-02
 d Force =-0.1196443E+00[-0.119E+00,-0.120E+00]  d Ewald  =-0.8599033E+01 0.848E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  195.62: real time  196.34


----------------------------------------- Iteration    4(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.66: real time   16.73
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.42: real time   18.49

 eigenvalue-minimisations  :  7360
 total energy-change (2. order) :-0.6666209E-02  (-0.2417201E-01)
 number of electron     120.0000054 magnetization 
 augmentation part       41.9922153 magnetization 

 Broyden mixing:
  rms(total) = 0.46014E-01    rms(broyden)= 0.46011E-01
  rms(prec ) = 0.63466E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1869.47677353
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.56160270
  PAW double counting   =      9472.73631012    -9400.52906958
  entropy T*S    EENTRO =         0.00485097
  eigenvalues    EBANDS =      -336.49626033
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.88166418 eV

  energy without entropy =      -49.88651515  energy(sigma->0) =      -49.88328117
gy without entropy =      -49.88258202  energy(sigma->0) =      -49.87932061


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4558       2 -67.4558       3 -67.5443       4 -67.5058       5 -67.5352
       6 -67.5967       7 -67.5352       8 -67.5442       9 -67.5058      10 -58.8790
      11 -59.0051      12 -59.0050      13 -58.6970      14 -58.7452      15 -58.6969
      16 -58.7451
 
 
 
 E-fermi :   6.0209     XC(G=0): -10.7503     alpha+bet :-12.3690


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9120      2.00000
      3     -39.7851      2.00000
      4     -39.6518      2.00000
      5     -39.6514      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.9448      2.00000
      9      -0.6496      2.00000
     10      -0.1265      2.00000
     11       0.1688      2.00000
     12       0.2610      2.00000
     13       0.2921      2.00000
     14       0.4356      2.00000
     15       0.5347      2.00000
     16       0.6072      2.00000
     17       0.6329      2.00000
     18       0.6704      2.00000
     19       0.7442      2.00000
     20       0.8951      2.00000
     21       0.9418      2.00000
     22       1.0526      2.00000
     23       1.0991      2.00000
     24       1.1883      2.00000
     25       1.2208      2.00000
     26       1.2854      2.00000
     27       1.3149      2.00000
     28       1.5822      2.00000
     29       1.6531      2.00000
     30       1.7121      2.00000
     31       1.7411      2.00000
     32       1.7921      2.00000
     33       1.9221      2.00000
     34       1.9406      2.00000
     35       2.1510      2.00000
     36       2.1757      2.00000
     37       2.2759      2.00000
     38       2.3130      2.00000
     39       2.4483      2.00000
     40       2.5342      2.00000
     41       2.5876      2.00000
     42       2.6402      2.00000
     43       2.7253      2.00000
     44       2.8691      2.00000
     45       2.8760      2.00000
     46       2.9082      2.00000
     47       3.0011      2.00000
     48       3.0449      2.00000
     49       3.1040      2.00000
     50       3.1341      2.00000
     51       3.3311      2.00000
     52       3.3852      2.00000
     53       3.5032      2.00000
     54       3.5864      2.00000
     55       3.8954      2.00000
     56       4.0739      2.00000
     57       4.2324      2.00000
     58       4.2349      2.00000
     59       4.9514      2.00000
     60       5.6233      2.01662
     61       6.2819     -0.06914
     62       8.1992     -0.00000
     63       8.2963     -0.00000
     64       8.3270     -0.00000
     65       8.9376     -0.00000
     66       9.6749     -0.00000
     67      10.3878     -0.00000
     68      10.7444     -0.00000
     69      11.4831      0.00000
     70      11.7748      0.00000
     71      11.8283      0.00000
     72      12.0680      0.00000
     73      12.2758      0.00000
     74      12.3522      0.00000
     75      12.5185      0.00000
     76      12.7958      0.00000
     77      13.3000      0.00000
     78      13.6703      0.00000
     79      13.7969      0.00000
     80      14.6460      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6723      2.00000
      9      -0.5725      2.00000
     10      -0.2723      2.00000
     11       0.2611      2.00000
     12       0.2799      2.00000
     13       0.3884      2.00000
     14       0.4654      2.00000
     15       0.5996      2.00000
     16       0.6137      2.00000
     17       0.7317      2.00000
     18       0.8250      2.00000
     19       0.9113      2.00000
     20       0.9371      2.00000
     21       0.9745      2.00000
     22       1.1014      2.00000
     23       1.1181      2.00000
     24       1.1982      2.00000
     25       1.2499      2.00000
     26       1.3519      2.00000
     27       1.3821      2.00000
     28       1.4968      2.00000
     29       1.6276      2.00000
     30       1.6645      2.00000
     31       1.7542      2.00000
     32       1.8226      2.00000
     33       1.8558      2.00000
     34       2.0116      2.00000
     35       2.0337      2.00000
     36       2.1730      2.00000
     37       2.2548      2.00000
     38       2.3618      2.00000
     39       2.4567      2.00000
     40       2.5045      2.00000
     41       2.5656      2.00000
     42       2.6085      2.00000
     43       2.6859      2.00000
     44       2.7363      2.00000
     45       2.8050      2.00000
     46       2.8225      2.00000
     47       2.9256      2.00000
     48       3.0540      2.00000
     49       3.1160      2.00000
     50       3.1980      2.00000
     51       3.2406      2.00000
     52       3.2742      2.00000
     53       3.4200      2.00000
     54       3.6192      2.00000
     55       3.7148      2.00000
     56       3.8513      2.00000
     57       4.0984      2.00000
     58       4.5858      2.00000
     59       5.5133      2.00195
     60       6.2797     -0.06958
     61       6.7982     -0.00000
     62       7.1047     -0.00000
     63       7.7180     -0.00000
     64       8.1717     -0.00000
     65       8.5891     -0.00000
     66       8.7245     -0.00000
     67       9.6422     -0.00000
     68      10.2974     -0.00000
     69      10.6193     -0.00000
     70      10.6675     -0.00000
     71      11.1347     -0.00000
     72      11.7275      0.00000
     73      12.5585      0.00000
     74      12.9493      0.00000
     75      13.2344      0.00000
     76      13.2984      0.00000
     77      13.4844      0.00000
     78      13.8690      0.00000
     79      14.4555      0.00000
     80      14.7181      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0316      2.00000
      9      -0.4125      2.00000
     10      -0.1245      2.00000
     11       0.3219      2.00000
     12       0.4232      2.00000
     13       0.5002      2.00000
     14       0.5867      2.00000
     15       0.6478      2.00000
     16       0.7352      2.00000
     17       0.8395      2.00000
     18       0.9168      2.00000
     19       0.9971      2.00000
     20       1.0424      2.00000
     21       1.0764      2.00000
     22       1.1761      2.00000
     23       1.2299      2.00000
     24       1.2825      2.00000
     25       1.3127      2.00000
     26       1.3606      2.00000
     27       1.4560      2.00000
     28       1.5543      2.00000
     29       1.6061      2.00000
     30       1.7273      2.00000
     31       1.8133      2.00000
     32       1.8599      2.00000
     33       1.9600      2.00000
     34       2.0166      2.00000
     35       2.1113      2.00000
     36       2.1245      2.00000
     37       2.1892      2.00000
     38       2.2540      2.00000
     39       2.3085      2.00000
     40       2.4031      2.00000
     41       2.4907      2.00000
     42       2.5395      2.00000
     43       2.6573      2.00000
     44       2.6950      2.00000
     45       2.7468      2.00000
     46       2.7973      2.00000
     47       2.8420      2.00000
     48       2.9283      2.00000
     49       3.0154      2.00000
     50       3.1018      2.00000
     51       3.1451      2.00000
     52       3.2397      2.00000
     53       3.3652      2.00000
     54       3.4595      2.00000
     55       3.5825      2.00000
     56       3.8236      2.00000
     57       4.6169      2.00000
     58       5.0103      2.00000
     59       5.4489      2.00040
     60       5.7911      2.06897
     61       6.4839     -0.00508
     62       6.8394     -0.00000
     63       6.9864     -0.00000
     64       7.5313     -0.00000
     65       7.9986     -0.00000
     66       8.3472     -0.00000
     67       8.6948     -0.00000
     68       9.4272     -0.00000
     69       9.8076     -0.00000
     70      10.3586     -0.00000
     71      10.4800     -0.00000
     72      10.7940     -0.00000
     73      11.4147     -0.00000
     74      12.1915      0.00000
     75      13.1298      0.00000
     76      13.6914      0.00000
     77      13.7585      0.00000
     78      13.8847      0.00000
     79      14.2942      0.00000
     80      14.6948      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3898      2.00000
      9      -0.1089      2.00000
     10       0.0910      2.00000
     11       0.1642      2.00000
     12       0.4860      2.00000
     13       0.5102      2.00000
     14       0.5622      2.00000
     15       0.6357      2.00000
     16       0.8278      2.00000
     17       0.9193      2.00000
     18       0.9346      2.00000
     19       1.1137      2.00000
     20       1.1691      2.00000
     21       1.1850      2.00000
     22       1.2691      2.00000
     23       1.3724      2.00000
     24       1.3922      2.00000
     25       1.4082      2.00000
     26       1.4781      2.00000
     27       1.5182      2.00000
     28       1.6472      2.00000
     29       1.6853      2.00000
     30       1.7358      2.00000
     31       1.8042      2.00000
     32       1.9133      2.00000
     33       1.9564      2.00000
     34       2.0648      2.00000
     35       2.1478      2.00000
     36       2.1645      2.00000
     37       2.1857      2.00000
     38       2.2817      2.00000
     39       2.3168      2.00000
     40       2.3727      2.00000
     41       2.4653      2.00000
     42       2.4821      2.00000
     43       2.5512      2.00000
     44       2.6421      2.00000
     45       2.6749      2.00000
     46       2.7615      2.00000
     47       2.8045      2.00000
     48       2.8427      2.00000
     49       2.9251      2.00000
     50       3.0641      2.00000
     51       3.1660      2.00000
     52       3.2724      2.00000
     53       3.3672      2.00000
     54       3.5580      2.00000
     55       3.6428      2.00000
     56       3.8256      2.00000
     57       4.1513      2.00000
     58       4.2985      2.00000
     59       5.1384      2.00000
     60       5.8698      1.95545
     61       6.0521      0.73957
     62       6.1764      0.03184
     63       6.8211     -0.00000
     64       7.0811     -0.00000
     65       7.6739     -0.00000
     66       8.2229     -0.00000
     67       8.4888     -0.00000
     68       8.8361     -0.00000
     69       9.4879     -0.00000
     70       9.7778     -0.00000
     71      10.5311     -0.00000
     72      10.9712     -0.00000
     73      11.1469     -0.00000
     74      11.7876      0.00000
     75      12.2878      0.00000
     76      12.7651      0.00000
     77      13.4163      0.00000
     78      13.7825      0.00000
     79      13.9618      0.00000
     80      14.6509      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4442      2.00000
      9      -0.1787      2.00000
     10       0.0376      2.00000
     11       0.1381      2.00000
     12       0.5048      2.00000
     13       0.5275      2.00000
     14       0.7048      2.00000
     15       0.7428      2.00000
     16       0.8753      2.00000
     17       0.9149      2.00000
     18       0.9908      2.00000
     19       1.0686      2.00000
     20       1.0881      2.00000
     21       1.2418      2.00000
     22       1.2817      2.00000
     23       1.3299      2.00000
     24       1.3870      2.00000
     25       1.3959      2.00000
     26       1.4478      2.00000
     27       1.4944      2.00000
     28       1.6705      2.00000
     29       1.7034      2.00000
     30       1.7481      2.00000
     31       1.8051      2.00000
     32       1.8796      2.00000
     33       1.9077      2.00000
     34       2.0452      2.00000
     35       2.0834      2.00000
     36       2.1466      2.00000
     37       2.1633      2.00000
     38       2.2319      2.00000
     39       2.3404      2.00000
     40       2.4440      2.00000
     41       2.4662      2.00000
     42       2.5436      2.00000
     43       2.5859      2.00000
     44       2.6283      2.00000
     45       2.6799      2.00000
     46       2.7358      2.00000
     47       2.8107      2.00000
     48       2.8515      2.00000
     49       2.9121      2.00000
     50       3.1009      2.00000
     51       3.1835      2.00000
     52       3.2090      2.00000
     53       3.5214      2.00000
     54       3.5546      2.00000
     55       3.7451      2.00000
     56       4.2059      2.00000
     57       4.3962      2.00000
     58       4.5689      2.00000
     59       4.7264      2.00000
     60       5.1887      2.00000
     61       5.6198      2.01570
     62       6.0863      0.47812
     63       6.1031      0.36533
     64       7.1077     -0.00000
     65       8.2684     -0.00000
     66       8.4033     -0.00000
     67       8.9102     -0.00000
     68       9.1611     -0.00000
     69       9.2564     -0.00000
     70       9.9651     -0.00000
     71      10.4697     -0.00000
     72      10.6045     -0.00000
     73      11.3592     -0.00000
     74      11.9218      0.00000
     75      12.5805      0.00000
     76      13.1677      0.00000
     77      13.5240      0.00000
     78      13.8800      0.00000
     79      14.1355      0.00000
     80      14.4580      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1621      2.00000
      9      -0.4800      2.00000
     10       0.0251      2.00000
     11       0.1490      2.00000
     12       0.5207      2.00000
     13       0.5892      2.00000
     14       0.6499      2.00000
     15       0.6887      2.00000
     16       0.8209      2.00000
     17       0.8368      2.00000
     18       0.8717      2.00000
     19       0.9598      2.00000
     20       1.0891      2.00000
     21       1.1315      2.00000
     22       1.1871      2.00000
     23       1.2107      2.00000
     24       1.3075      2.00000
     25       1.3407      2.00000
     26       1.3963      2.00000
     27       1.4462      2.00000
     28       1.4792      2.00000
     29       1.6394      2.00000
     30       1.7387      2.00000
     31       1.7628      2.00000
     32       1.8408      2.00000
     33       1.9026      2.00000
     34       1.9612      2.00000
     35       2.0585      2.00000
     36       2.1616      2.00000
     37       2.2267      2.00000
     38       2.2979      2.00000
     39       2.3631      2.00000
     40       2.4413      2.00000
     41       2.5201      2.00000
     42       2.5587      2.00000
     43       2.6058      2.00000
     44       2.6600      2.00000
     45       2.7710      2.00000
     46       2.7952      2.00000
     47       2.8784      2.00000
     48       2.8907      2.00000
     49       3.0486      2.00000
     50       3.0932      2.00000
     51       3.1392      2.00000
     52       3.2134      2.00000
     53       3.3231      2.00000
     54       3.5326      2.00000
     55       3.7023      2.00000
     56       4.1023      2.00000
     57       4.4580      2.00000
     58       4.8492      2.00000
     59       5.4981      2.00137
     60       5.7049      2.04800
     61       6.0858      0.48147
     62       6.3665     -0.03470
     63       6.9730     -0.00000
     64       7.1879     -0.00000
     65       7.5856     -0.00000
     66       8.2238     -0.00000
     67       8.9869     -0.00000
     68       9.2565     -0.00000
     69      10.2412     -0.00000
     70      11.0417     -0.00000
     71      11.3234     -0.00000
     72      11.6879      0.00000
     73      12.1272      0.00000
     74      12.3729      0.00000
     75      12.7941      0.00000
     76      13.4292      0.00000
     77      13.6360      0.00000
     78      13.9060      0.00000
     79      14.2951      0.00000
     80      14.4187      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.7565      2.00000
      9      -0.6346      2.00000
     10       0.0422      2.00000
     11       0.1795      2.00000
     12       0.3293      2.00000
     13       0.3382      2.00000
     14       0.4048      2.00000
     15       0.6261      2.00000
     16       0.6449      2.00000
     17       0.7351      2.00000
     18       0.8142      2.00000
     19       0.8862      2.00000
     20       0.9097      2.00000
     21       1.0612      2.00000
     22       1.0674      2.00000
     23       1.1518      2.00000
     24       1.2193      2.00000
     25       1.2788      2.00000
     26       1.3032      2.00000
     27       1.3341      2.00000
     28       1.4630      2.00000
     29       1.6644      2.00000
     30       1.6825      2.00000
     31       1.7709      2.00000
     32       1.8308      2.00000
     33       1.9020      2.00000
     34       1.9249      2.00000
     35       2.0810      2.00000
     36       2.1558      2.00000
     37       2.2848      2.00000
     38       2.3341      2.00000
     39       2.3834      2.00000
     40       2.4875      2.00000
     41       2.5225      2.00000
     42       2.6197      2.00000
     43       2.7412      2.00000
     44       2.7979      2.00000
     45       2.8270      2.00000
     46       2.8735      2.00000
     47       2.9357      2.00000
     48       3.0259      2.00000
     49       3.0942      2.00000
     50       3.1273      2.00000
     51       3.2117      2.00000
     52       3.2680      2.00000
     53       3.4385      2.00000
     54       3.6809      2.00000
     55       3.7942      2.00000
     56       3.9498      2.00000
     57       4.1243      2.00000
     58       4.8598      2.00000
     59       5.0489      2.00000
     60       5.5647      2.00582
     61       6.7238     -0.00001
     62       7.1787     -0.00000
     63       7.7311     -0.00000
     64       8.2318     -0.00000
     65       8.7088     -0.00000
     66       8.9852     -0.00000
     67       9.3921     -0.00000
     68      10.1947     -0.00000
     69      10.7704     -0.00000
     70      10.8292     -0.00000
     71      11.4173     -0.00000
     72      12.4785      0.00000
     73      12.9024      0.00000
     74      13.0774      0.00000
     75      13.2759      0.00000
     76      13.4472      0.00000
     77      13.8159      0.00000
     78      13.8839      0.00000
     79      14.3153      0.00000
     80      14.4260      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9120      2.00000
      3     -39.7851      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.8643      2.00000
      9      -0.8967      2.00000
     10      -0.0306      2.00000
     11       0.1619      2.00000
     12       0.2088      2.00000
     13       0.2941      2.00000
     14       0.4287      2.00000
     15       0.5826      2.00000
     16       0.6116      2.00000
     17       0.6226      2.00000
     18       0.6882      2.00000
     19       0.7742      2.00000
     20       0.8433      2.00000
     21       0.9354      2.00000
     22       1.0392      2.00000
     23       1.0786      2.00000
     24       1.2508      2.00000
     25       1.2997      2.00000
     26       1.3965      2.00000
     27       1.4210      2.00000
     28       1.5905      2.00000
     29       1.6089      2.00000
     30       1.6479      2.00000
     31       1.7032      2.00000
     32       1.8047      2.00000
     33       1.8861      2.00000
     34       1.9440      2.00000
     35       2.1671      2.00000
     36       2.2249      2.00000
     37       2.2315      2.00000
     38       2.2943      2.00000
     39       2.4438      2.00000
     40       2.5016      2.00000
     41       2.6217      2.00000
     42       2.6615      2.00000
     43       2.6698      2.00000
     44       2.8189      2.00000
     45       2.8412      2.00000
     46       2.8851      2.00000
     47       2.9084      2.00000
     48       3.0609      2.00000
     49       3.1100      2.00000
     50       3.1505      2.00000
     51       3.3230      2.00000
     52       3.3671      2.00000
     53       3.4590      2.00000
     54       3.6353      2.00000
     55       3.9597      2.00000
     56       4.2248      2.00000
     57       4.2340      2.00000
     58       4.3491      2.00000
     59       4.8936      2.00000
     60       6.2832     -0.06887
     61       6.4920     -0.00431
     62       6.9253     -0.00000
     63       7.2077     -0.00000
     64       8.8210     -0.00000
     65       9.5566     -0.00000
     66       9.7098     -0.00000
     67       9.9027     -0.00000
     68      10.9891     -0.00000
     69      11.2012     -0.00000
     70      11.2939     -0.00000
     71      11.4611     -0.00000
     72      12.3171      0.00000
     73      12.6988      0.00000
     74      13.1406      0.00000
     75      13.4027      0.00000
     76      13.5306      0.00000
     77      13.8259      0.00000
     78      13.9935      0.00000
     79      14.2763      0.00000
     80      14.5328      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.5837      2.00000
      9      -0.8165      2.00000
     10      -0.1471      2.00000
     11       0.2261      2.00000
     12       0.2640      2.00000
     13       0.4238      2.00000
     14       0.5031      2.00000
     15       0.5754      2.00000
     16       0.6203      2.00000
     17       0.6876      2.00000
     18       0.7865      2.00000
     19       0.8875      2.00000
     20       0.9594      2.00000
     21       0.9833      2.00000
     22       1.0533      2.00000
     23       1.1556      2.00000
     24       1.2165      2.00000
     25       1.2953      2.00000
     26       1.3705      2.00000
     27       1.4013      2.00000
     28       1.5312      2.00000
     29       1.5641      2.00000
     30       1.6198      2.00000
     31       1.6715      2.00000
     32       1.8886      2.00000
     33       1.9679      2.00000
     34       2.0203      2.00000
     35       2.1600      2.00000
     36       2.1863      2.00000
     37       2.2677      2.00000
     38       2.3163      2.00000
     39       2.3644      2.00000
     40       2.3882      2.00000
     41       2.4485      2.00000
     42       2.6551      2.00000
     43       2.6711      2.00000
     44       2.7757      2.00000
     45       2.7924      2.00000
     46       2.8418      2.00000
     47       2.9843      2.00000
     48       3.0108      2.00000
     49       3.1179      2.00000
     50       3.1798      2.00000
     51       3.1894      2.00000
     52       3.3078      2.00000
     53       3.4590      2.00000
     54       3.6487      2.00000
     55       3.7028      2.00000
     56       3.8913      2.00000
     57       4.4382      2.00000
     58       4.9044      2.00000
     59       5.5444      2.00385
     60       5.8575      1.98848
     61       6.5093     -0.00299
     62       7.0419     -0.00000
     63       7.5267     -0.00000
     64       8.0723     -0.00000
     65       8.3194     -0.00000
     66       8.9239     -0.00000
     67       9.4032     -0.00000
     68       9.6712     -0.00000
     69      10.4662     -0.00000
     70      12.0087      0.00000
     71      12.3102      0.00000
     72      12.3998      0.00000
     73      12.5581      0.00000
     74      12.7263      0.00000
     75      12.8570      0.00000
     76      13.3256      0.00000
     77      13.6077      0.00000
     78      13.9228      0.00000
     79      14.0086      0.00000
     80      14.4230      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0275      2.00000
      9      -0.3851      2.00000
     10      -0.1339      2.00000
     11       0.3210      2.00000
     12       0.3985      2.00000
     13       0.4951      2.00000
     14       0.5329      2.00000
     15       0.6728      2.00000
     16       0.7799      2.00000
     17       0.8138      2.00000
     18       0.9325      2.00000
     19       0.9413      2.00000
     20       1.0263      2.00000
     21       1.0739      2.00000
     22       1.1642      2.00000
     23       1.2184      2.00000
     24       1.3069      2.00000
     25       1.3530      2.00000
     26       1.4124      2.00000
     27       1.4778      2.00000
     28       1.5478      2.00000
     29       1.6130      2.00000
     30       1.7522      2.00000
     31       1.8251      2.00000
     32       1.8868      2.00000
     33       1.9239      2.00000
     34       1.9886      2.00000
     35       2.0399      2.00000
     36       2.0825      2.00000
     37       2.1368      2.00000
     38       2.2148      2.00000
     39       2.3120      2.00000
     40       2.4650      2.00000
     41       2.5024      2.00000
     42       2.5645      2.00000
     43       2.6223      2.00000
     44       2.6831      2.00000
     45       2.7970      2.00000
     46       2.8240      2.00000
     47       2.8759      2.00000
     48       2.9243      2.00000
     49       2.9742      2.00000
     50       3.0845      2.00000
     51       3.1720      2.00000
     52       3.2492      2.00000
     53       3.2851      2.00000
     54       3.4713      2.00000
     55       3.6091      2.00000
     56       4.0084      2.00000
     57       4.4757      2.00000
     58       5.2601      2.00000
     59       5.6813      2.03726
     60       5.9034      1.82894
     61       6.2934     -0.06610
     62       6.5265     -0.00204
     63       6.7008     -0.00002
     64       7.4443     -0.00000
     65       7.6903     -0.00000
     66       8.1058     -0.00000
     67       9.1397     -0.00000
     68       9.8254     -0.00000
     69       9.9546     -0.00000
     70      10.1254     -0.00000
     71      11.1026     -0.00000
     72      11.1898     -0.00000
     73      11.7688      0.00000
     74      12.0747      0.00000
     75      12.4231      0.00000
     76      12.7737      0.00000
     77      13.2928      0.00000
     78      13.6746      0.00000
     79      14.0699      0.00000
     80      14.4170      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3902      2.00000
      9      -0.0868      2.00000
     10       0.0697      2.00000
     11       0.1457      2.00000
     12       0.4161      2.00000
     13       0.5179      2.00000
     14       0.6064      2.00000
     15       0.7147      2.00000
     16       0.8520      2.00000
     17       0.9048      2.00000
     18       0.9146      2.00000
     19       1.0958      2.00000
     20       1.1518      2.00000
     21       1.1835      2.00000
     22       1.2464      2.00000
     23       1.3155      2.00000
     24       1.4000      2.00000
     25       1.4610      2.00000
     26       1.4929      2.00000
     27       1.5968      2.00000
     28       1.6687      2.00000
     29       1.7118      2.00000
     30       1.7320      2.00000
     31       1.8365      2.00000
     32       1.8794      2.00000
     33       1.9603      2.00000
     34       1.9817      2.00000
     35       2.0729      2.00000
     36       2.1222      2.00000
     37       2.2345      2.00000
     38       2.3022      2.00000
     39       2.3490      2.00000
     40       2.3893      2.00000
     41       2.4570      2.00000
     42       2.5129      2.00000
     43       2.5274      2.00000
     44       2.6267      2.00000
     45       2.6924      2.00000
     46       2.7317      2.00000
     47       2.7948      2.00000
     48       2.8461      2.00000
     49       2.8732      2.00000
     50       3.0706      2.00000
     51       3.1420      2.00000
     52       3.2711      2.00000
     53       3.3276      2.00000
     54       3.4824      2.00000
     55       3.5895      2.00000
     56       3.7349      2.00000
     57       4.4149      2.00000
     58       4.7757      2.00000
     59       5.1278      2.00000
     60       5.6638      2.02998
     61       5.9466      1.58305
     62       6.2140     -0.04237
     63       6.5198     -0.00238
     64       6.7360     -0.00001
     65       7.7474     -0.00000
     66       8.0547     -0.00000
     67       8.5206     -0.00000
     68       9.3088     -0.00000
     69       9.7471     -0.00000
     70      10.1848     -0.00000
     71      10.8602     -0.00000
     72      10.9736     -0.00000
     73      11.3769     -0.00000
     74      11.5938      0.00000
     75      12.1329      0.00000
     76      12.4637      0.00000
     77      13.1233      0.00000
     78      13.4233      0.00000
     79      14.0218      0.00000
     80      14.2854      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7844      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4409      2.00000
      9      -0.1550      2.00000
     10      -0.0385      2.00000
     11       0.1369      2.00000
     12       0.5483      2.00000
     13       0.6662      2.00000
     14       0.7008      2.00000
     15       0.7299      2.00000
     16       0.7982      2.00000
     17       0.8844      2.00000
     18       0.9548      2.00000
     19       1.0836      2.00000
     20       1.1066      2.00000
     21       1.1378      2.00000
     22       1.2625      2.00000
     23       1.3363      2.00000
     24       1.3680      2.00000
     25       1.3913      2.00000
     26       1.5425      2.00000
     27       1.5847      2.00000
     28       1.6691      2.00000
     29       1.7158      2.00000
     30       1.7643      2.00000
     31       1.8161      2.00000
     32       1.8572      2.00000
     33       1.9618      2.00000
     34       2.0017      2.00000
     35       2.0933      2.00000
     36       2.1615      2.00000
     37       2.2410      2.00000
     38       2.3270      2.00000
     39       2.3399      2.00000
     40       2.4496      2.00000
     41       2.4692      2.00000
     42       2.4964      2.00000
     43       2.5216      2.00000
     44       2.5660      2.00000
     45       2.5816      2.00000
     46       2.7242      2.00000
     47       2.7591      2.00000
     48       2.8142      2.00000
     49       2.8828      2.00000
     50       3.1275      2.00000
     51       3.1634      2.00000
     52       3.2891      2.00000
     53       3.5114      2.00000
     54       3.5739      2.00000
     55       3.6474      2.00000
     56       4.0711      2.00000
     57       4.4111      2.00000
     58       4.5174      2.00000
     59       5.0097      2.00000
     60       5.1499      2.00000
     61       5.8170      2.05409
     62       6.1435      0.14848
     63       6.5108     -0.00289
     64       7.1573     -0.00000
     65       7.2606     -0.00000
     66       7.7690     -0.00000
     67       8.3294     -0.00000
     68       9.5526     -0.00000
     69       9.9858     -0.00000
     70      10.5828     -0.00000
     71      11.0053     -0.00000
     72      11.2596     -0.00000
     73      11.7986      0.00000
     74      12.0367      0.00000
     75      12.2630      0.00000
     76      12.8788      0.00000
     77      13.1456      0.00000
     78      13.3190      0.00000
     79      14.1401      0.00000
     80      14.3307      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6514      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.2079      2.00000
      9      -0.3445      2.00000
     10      -0.0770      2.00000
     11       0.1065      2.00000
     12       0.5490      2.00000
     13       0.5736      2.00000
     14       0.6378      2.00000
     15       0.7139      2.00000
     16       0.8452      2.00000
     17       0.8775      2.00000
     18       0.9455      2.00000
     19       1.0068      2.00000
     20       1.0839      2.00000
     21       1.1122      2.00000
     22       1.1740      2.00000
     23       1.2452      2.00000
     24       1.2631      2.00000
     25       1.3215      2.00000
     26       1.3865      2.00000
     27       1.3939      2.00000
     28       1.5507      2.00000
     29       1.6758      2.00000
     30       1.7007      2.00000
     31       1.8141      2.00000
     32       1.8851      2.00000
     33       1.9308      2.00000
     34       2.0063      2.00000
     35       2.0207      2.00000
     36       2.0562      2.00000
     37       2.1608      2.00000
     38       2.2056      2.00000
     39       2.3989      2.00000
     40       2.4399      2.00000
     41       2.4936      2.00000
     42       2.5411      2.00000
     43       2.6164      2.00000
     44       2.6614      2.00000
     45       2.7699      2.00000
     46       2.8560      2.00000
     47       2.8856      2.00000
     48       2.9228      2.00000
     49       3.0229      2.00000
     50       3.0559      2.00000
     51       3.1046      2.00000
     52       3.1917      2.00000
     53       3.2851      2.00000
     54       3.5289      2.00000
     55       3.6539      2.00000
     56       4.0046      2.00000
     57       4.3369      2.00000
     58       5.3260      2.00001
     59       5.4782      2.00085
     60       5.6695      2.03227
     61       5.8429      2.01925
     62       6.6364     -0.00012
     63       6.9576     -0.00000
     64       7.4553     -0.00000
     65       7.8334     -0.00000
     66       7.8996     -0.00000
     67       8.4589     -0.00000
     68       9.7081     -0.00000
     69       9.9906     -0.00000
     70      10.4217     -0.00000
     71      11.7531      0.00000
     72      12.2501      0.00000
     73      12.5595      0.00000
     74      12.8887      0.00000
     75      13.0905      0.00000
     76      13.3935      0.00000
     77      13.4591      0.00000
     78      13.5462      0.00000
     79      13.8858      0.00000
     80      14.1090      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.7437      2.00000
      9      -0.6699      2.00000
     10       0.0126      2.00000
     11       0.2327      2.00000
     12       0.3190      2.00000
     13       0.3419      2.00000
     14       0.4035      2.00000
     15       0.6274      2.00000
     16       0.6407      2.00000
     17       0.7195      2.00000
     18       0.8121      2.00000
     19       0.8776      2.00000
     20       0.9579      2.00000
     21       1.0198      2.00000
     22       1.0867      2.00000
     23       1.1535      2.00000
     24       1.2296      2.00000
     25       1.2612      2.00000
     26       1.3349      2.00000
     27       1.4009      2.00000
     28       1.4401      2.00000
     29       1.6055      2.00000
     30       1.6809      2.00000
     31       1.7242      2.00000
     32       1.8241      2.00000
     33       1.8773      2.00000
     34       1.9570      2.00000
     35       2.1314      2.00000
     36       2.1949      2.00000
     37       2.2568      2.00000
     38       2.3101      2.00000
     39       2.3989      2.00000
     40       2.5148      2.00000
     41       2.5387      2.00000
     42       2.6113      2.00000
     43       2.7228      2.00000
     44       2.7607      2.00000
     45       2.8033      2.00000
     46       2.8849      2.00000
     47       2.9659      2.00000
     48       2.9982      2.00000
     49       3.1203      2.00000
     50       3.1599      2.00000
     51       3.2115      2.00000
     52       3.2890      2.00000
     53       3.4353      2.00000
     54       3.6319      2.00000
     55       3.7815      2.00000
     56       3.9533      2.00000
     57       4.1585      2.00000
     58       4.5109      2.00000
     59       5.2793      2.00000
     60       6.0589      0.68476
     61       6.5859     -0.00048
     62       6.9953     -0.00000
     63       7.7978     -0.00000
     64       8.0740     -0.00000
     65       8.3374     -0.00000
     66       8.7225     -0.00000
     67       9.6863     -0.00000
     68      10.4585     -0.00000
     69      10.9141     -0.00000
     70      11.0338     -0.00000
     71      11.3103     -0.00000
     72      12.5088      0.00000
     73      12.8861      0.00000
     74      13.0394      0.00000
     75      13.1684      0.00000
     76      13.5059      0.00000
     77      13.5935      0.00000
     78      13.9466      0.00000
     79      14.3561      0.00000
     80      14.4831      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.8567      2.00000
      9      -0.9329      2.00000
     10       0.0393      2.00000
     11       0.1699      2.00000
     12       0.2053      2.00000
     13       0.2887      2.00000
     14       0.4219      2.00000
     15       0.5941      2.00000
     16       0.6119      2.00000
     17       0.6229      2.00000
     18       0.6904      2.00000
     19       0.7228      2.00000
     20       0.8423      2.00000
     21       0.9492      2.00000
     22       1.0878      2.00000
     23       1.1037      2.00000
     24       1.2012      2.00000
     25       1.2705      2.00000
     26       1.3530      2.00000
     27       1.3672      2.00000
     28       1.5511      2.00000
     29       1.6508      2.00000
     30       1.6928      2.00000
     31       1.7100      2.00000
     32       1.8008      2.00000
     33       1.8673      2.00000
     34       1.8974      2.00000
     35       2.1250      2.00000
     36       2.2183      2.00000
     37       2.2542      2.00000
     38       2.3868      2.00000
     39       2.4344      2.00000
     40       2.5274      2.00000
     41       2.5917      2.00000
     42       2.6220      2.00000
     43       2.6796      2.00000
     44       2.8481      2.00000
     45       2.8706      2.00000
     46       2.9858      2.00000
     47       3.0489      2.00000
     48       3.0561      2.00000
     49       3.1290      2.00000
     50       3.1901      2.00000
     51       3.2778      2.00000
     52       3.3158      2.00000
     53       3.5424      2.00000
     54       3.6496      2.00000
     55       3.9195      2.00000
     56       3.9420      2.00000
     57       4.2188      2.00000
     58       4.4091      2.00000
     59       5.0043      2.00000
     60       5.6017      2.01158
     61       6.2256     -0.05480
     62       7.7507     -0.00000
     63       8.1805     -0.00000
     64       8.6191     -0.00000
     65       8.6457     -0.00000
     66       9.7800     -0.00000
     67      10.3975     -0.00000
     68      10.6000     -0.00000
     69      10.8140     -0.00000
     70      11.2544     -0.00000
     71      11.7462      0.00000
     72      12.4737      0.00000
     73      12.7354      0.00000
     74      12.8325      0.00000
     75      13.1466      0.00000
     76      13.2523      0.00000
     77      13.6973      0.00000
     78      14.4299      0.00000
     79      14.4937      0.00000
     80      14.5586      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6553      2.00000
      9      -0.6516      2.00000
     10      -0.2067      2.00000
     11       0.2451      2.00000
     12       0.2915      2.00000
     13       0.4346      2.00000
     14       0.4389      2.00000
     15       0.5899      2.00000
     16       0.6330      2.00000
     17       0.7258      2.00000
     18       0.7818      2.00000
     19       0.8751      2.00000
     20       0.9391      2.00000
     21       0.9843      2.00000
     22       1.0812      2.00000
     23       1.1445      2.00000
     24       1.1787      2.00000
     25       1.2538      2.00000
     26       1.3643      2.00000
     27       1.3773      2.00000
     28       1.4956      2.00000
     29       1.6228      2.00000
     30       1.6461      2.00000
     31       1.7448      2.00000
     32       1.8770      2.00000
     33       1.8975      2.00000
     34       1.9988      2.00000
     35       2.0802      2.00000
     36       2.1797      2.00000
     37       2.2398      2.00000
     38       2.3211      2.00000
     39       2.4033      2.00000
     40       2.4755      2.00000
     41       2.5670      2.00000
     42       2.6339      2.00000
     43       2.7234      2.00000
     44       2.7657      2.00000
     45       2.8220      2.00000
     46       2.8541      2.00000
     47       2.9328      2.00000
     48       3.0226      2.00000
     49       3.0817      2.00000
     50       3.1424      2.00000
     51       3.2286      2.00000
     52       3.2599      2.00000
     53       3.5479      2.00000
     54       3.6735      2.00000
     55       3.7441      2.00000
     56       3.8143      2.00000
     57       4.1006      2.00000
     58       4.9398      2.00000
     59       5.0811      2.00000
     60       5.8260      2.04453
     61       6.8113     -0.00000
     62       7.1854     -0.00000
     63       7.7761     -0.00000
     64       8.6883     -0.00000
     65       8.9462     -0.00000
     66       9.1315     -0.00000
     67       9.4598     -0.00000
     68       9.6246     -0.00000
     69       9.7933     -0.00000
     70      10.9395     -0.00000
     71      11.5685      0.00000
     72      12.1373      0.00000
     73      12.3317      0.00000
     74      12.4816      0.00000
     75      13.1643      0.00000
     76      13.3047      0.00000
     77      13.6974      0.00000
     78      14.0848      0.00000
     79      14.4035      0.00000
     80      14.5390      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6514      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0748      2.00000
      9      -0.2670      2.00000
     10      -0.2101      2.00000
     11       0.2623      2.00000
     12       0.4268      2.00000
     13       0.5243      2.00000
     14       0.5596      2.00000
     15       0.6800      2.00000
     16       0.7906      2.00000
     17       0.8363      2.00000
     18       0.9137      2.00000
     19       1.0044      2.00000
     20       1.0941      2.00000
     21       1.1024      2.00000
     22       1.1487      2.00000
     23       1.2006      2.00000
     24       1.2314      2.00000
     25       1.2786      2.00000
     26       1.3596      2.00000
     27       1.4960      2.00000
     28       1.5820      2.00000
     29       1.6374      2.00000
     30       1.6643      2.00000
     31       1.8214      2.00000
     32       1.8406      2.00000
     33       1.9982      2.00000
     34       2.0060      2.00000
     35       2.0672      2.00000
     36       2.1714      2.00000
     37       2.2067      2.00000
     38       2.2473      2.00000
     39       2.2994      2.00000
     40       2.3743      2.00000
     41       2.5097      2.00000
     42       2.6298      2.00000
     43       2.6574      2.00000
     44       2.7217      2.00000
     45       2.7620      2.00000
     46       2.8051      2.00000
     47       2.8402      2.00000
     48       2.9335      2.00000
     49       2.9549      2.00000
     50       3.0968      2.00000
     51       3.1213      2.00000
     52       3.2105      2.00000
     53       3.4142      2.00000
     54       3.4969      2.00000
     55       3.5872      2.00000
     56       3.6879      2.00000
     57       4.4256      2.00000
     58       4.7983      2.00000
     59       5.4341      2.00027
     60       5.9951      1.21646
     61       6.6071     -0.00027
     62       6.9450     -0.00000
     63       7.0344     -0.00000
     64       7.3339     -0.00000
     65       8.2625     -0.00000
     66       8.5055     -0.00000
     67       8.8286     -0.00000
     68       9.3426     -0.00000
     69       9.9754     -0.00000
     70      10.1827     -0.00000
     71      10.3291     -0.00000
     72      11.0821     -0.00000
     73      11.7783      0.00000
     74      12.1369      0.00000
     75      12.3097      0.00000
     76      12.9734      0.00000
     77      13.7735      0.00000
     78      13.8246      0.00000
     79      14.0889      0.00000
     80      14.2243      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3649      2.00000
      9      -0.1421      2.00000
     10       0.0801      2.00000
     11       0.1475      2.00000
     12       0.4580      2.00000
     13       0.5654      2.00000
     14       0.6379      2.00000
     15       0.6891      2.00000
     16       0.7360      2.00000
     17       0.8935      2.00000
     18       0.9488      2.00000
     19       1.0656      2.00000
     20       1.1485      2.00000
     21       1.1799      2.00000
     22       1.2179      2.00000
     23       1.3244      2.00000
     24       1.3800      2.00000
     25       1.4726      2.00000
     26       1.5364      2.00000
     27       1.5665      2.00000
     28       1.6365      2.00000
     29       1.7147      2.00000
     30       1.7834      2.00000
     31       1.8494      2.00000
     32       1.9089      2.00000
     33       1.9428      2.00000
     34       2.0901      2.00000
     35       2.1488      2.00000
     36       2.1557      2.00000
     37       2.2517      2.00000
     38       2.2632      2.00000
     39       2.3357      2.00000
     40       2.3759      2.00000
     41       2.4191      2.00000
     42       2.5133      2.00000
     43       2.5634      2.00000
     44       2.5974      2.00000
     45       2.6170      2.00000
     46       2.6897      2.00000
     47       2.7746      2.00000
     48       2.7952      2.00000
     49       2.8788      2.00000
     50       3.0732      2.00000
     51       3.1314      2.00000
     52       3.1877      2.00000
     53       3.3676      2.00000
     54       3.5349      2.00000
     55       3.6292      2.00000
     56       3.8865      2.00000
     57       4.3708      2.00000
     58       4.7276      2.00000
     59       5.1011      2.00000
     60       5.6372      2.02060
     61       5.6925      2.04229
     62       6.1972     -0.01608
     63       6.6495     -0.00008
     64       7.0096     -0.00000
     65       7.5060     -0.00000
     66       7.8745     -0.00000
     67       8.9959     -0.00000
     68       9.6022     -0.00000
     69       9.8932     -0.00000
     70      10.0883     -0.00000
     71      10.4748     -0.00000
     72      10.7349     -0.00000
     73      11.0916     -0.00000
     74      11.6176      0.00000
     75      12.2501      0.00000
     76      12.9626      0.00000
     77      13.1791      0.00000
     78      13.9018      0.00000
     79      13.9194      0.00000
     80      14.0591      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4494      2.00000
      9      -0.1471      2.00000
     10      -0.0123      2.00000
     11       0.1316      2.00000
     12       0.5366      2.00000
     13       0.5754      2.00000
     14       0.6465      2.00000
     15       0.7570      2.00000
     16       0.8636      2.00000
     17       0.9528      2.00000
     18       1.0005      2.00000
     19       1.0525      2.00000
     20       1.1086      2.00000
     21       1.1688      2.00000
     22       1.2251      2.00000
     23       1.3161      2.00000
     24       1.3940      2.00000
     25       1.4734      2.00000
     26       1.5047      2.00000
     27       1.5493      2.00000
     28       1.6005      2.00000
     29       1.7162      2.00000
     30       1.7566      2.00000
     31       1.7959      2.00000
     32       1.8982      2.00000
     33       1.9591      2.00000
     34       1.9715      2.00000
     35       2.0556      2.00000
     36       2.1812      2.00000
     37       2.1929      2.00000
     38       2.2896      2.00000
     39       2.3301      2.00000
     40       2.3577      2.00000
     41       2.4772      2.00000
     42       2.4975      2.00000
     43       2.5870      2.00000
     44       2.6173      2.00000
     45       2.6795      2.00000
     46       2.7711      2.00000
     47       2.8031      2.00000
     48       2.8156      2.00000
     49       2.9020      2.00000
     50       3.1245      2.00000
     51       3.1783      2.00000
     52       3.2331      2.00000
     53       3.5180      2.00000
     54       3.5738      2.00000
     55       3.6869      2.00000
     56       3.8808      2.00000
     57       4.4463      2.00000
     58       4.5839      2.00000
     59       4.9793      2.00000
     60       5.4259      2.00021
     61       5.7572      2.06854
     62       5.8244      2.04648
     63       6.7162     -0.00001
     64       6.9929     -0.00000
     65       7.2935     -0.00000
     66       7.5155     -0.00000
     67       9.0286     -0.00000
     68       9.4054     -0.00000
     69      10.1131     -0.00000
     70      10.5224     -0.00000
     71      10.8636     -0.00000
     72      11.2144     -0.00000
     73      11.4073     -0.00000
     74      11.6855      0.00000
     75      12.0213      0.00000
     76      12.6551      0.00000
     77      13.4637      0.00000
     78      13.5671      0.00000
     79      14.0979      0.00000
     80      14.1513      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1371      2.00000
      9      -0.5363      2.00000
     10       0.1059      2.00000
     11       0.1282      2.00000
     12       0.5080      2.00000
     13       0.5859      2.00000
     14       0.6526      2.00000
     15       0.6891      2.00000
     16       0.7996      2.00000
     17       0.8217      2.00000
     18       0.8462      2.00000
     19       0.9376      2.00000
     20       1.0965      2.00000
     21       1.1371      2.00000
     22       1.1780      2.00000
     23       1.2057      2.00000
     24       1.3210      2.00000
     25       1.3651      2.00000
     26       1.4041      2.00000
     27       1.4454      2.00000
     28       1.5132      2.00000
     29       1.5710      2.00000
     30       1.6929      2.00000
     31       1.7372      2.00000
     32       1.8768      2.00000
     33       1.9188      2.00000
     34       1.9736      2.00000
     35       2.1200      2.00000
     36       2.1656      2.00000
     37       2.2429      2.00000
     38       2.2875      2.00000
     39       2.3523      2.00000
     40       2.4265      2.00000
     41       2.5169      2.00000
     42       2.5724      2.00000
     43       2.6623      2.00000
     44       2.6954      2.00000
     45       2.7667      2.00000
     46       2.8096      2.00000
     47       2.8535      2.00000
     48       2.9117      2.00000
     49       2.9635      2.00000
     50       3.0811      2.00000
     51       3.1234      2.00000
     52       3.2090      2.00000
     53       3.3501      2.00000
     54       3.5131      2.00000
     55       3.7038      2.00000
     56       4.1248      2.00000
     57       4.6067      2.00000
     58       4.9830      2.00000
     59       5.3632      2.00003
     60       5.6889      2.04065
     61       6.0307      0.91705
     62       6.2212     -0.05058
     63       6.7039     -0.00002
     64       7.1788     -0.00000
     65       7.6237     -0.00000
     66       8.7447     -0.00000
     67       8.9084     -0.00000
     68       9.3592     -0.00000
     69      10.4064     -0.00000
     70      10.6120     -0.00000
     71      11.0194     -0.00000
     72      11.6272      0.00000
     73      12.2229      0.00000
     74      12.5024      0.00000
     75      12.8221      0.00000
     76      13.3587      0.00000
     77      13.5931      0.00000
     78      14.0798      0.00000
     79      14.2395      0.00000
     80      14.4821      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6585      2.00000
      9      -0.8893      2.00000
     10       0.1419      2.00000
     11       0.2610      2.00000
     12       0.3106      2.00000
     13       0.3224      2.00000
     14       0.3989      2.00000
     15       0.6232      2.00000
     16       0.6445      2.00000
     17       0.6660      2.00000
     18       0.7527      2.00000
     19       0.8554      2.00000
     20       0.9366      2.00000
     21       1.0579      2.00000
     22       1.1248      2.00000
     23       1.1807      2.00000
     24       1.2192      2.00000
     25       1.2758      2.00000
     26       1.3793      2.00000
     27       1.3932      2.00000
     28       1.4755      2.00000
     29       1.5931      2.00000
     30       1.6916      2.00000
     31       1.7414      2.00000
     32       1.8460      2.00000
     33       1.8539      2.00000
     34       2.0330      2.00000
     35       2.1586      2.00000
     36       2.1927      2.00000
     37       2.2328      2.00000
     38       2.2645      2.00000
     39       2.3709      2.00000
     40       2.4447      2.00000
     41       2.5162      2.00000
     42       2.6250      2.00000
     43       2.6561      2.00000
     44       2.7811      2.00000
     45       2.8302      2.00000
     46       2.8782      2.00000
     47       2.9549      2.00000
     48       2.9877      2.00000
     49       3.1163      2.00000
     50       3.1887      2.00000
     51       3.2094      2.00000
     52       3.2961      2.00000
     53       3.4798      2.00000
     54       3.7183      2.00000
     55       3.9413      2.00000
     56       3.9654      2.00000
     57       4.1987      2.00000
     58       4.6021      2.00000
     59       5.0577      2.00000
     60       5.6529      2.02588
     61       6.7448     -0.00000
     62       7.3427     -0.00000
     63       7.6664     -0.00000
     64       8.2672     -0.00000
     65       8.4758     -0.00000
     66       8.5685     -0.00000
     67       9.0102     -0.00000
     68       9.2297     -0.00000
     69      11.3385     -0.00000
     70      12.1302      0.00000
     71      12.4216      0.00000
     72      12.6602      0.00000
     73      12.8389      0.00000
     74      13.1001      0.00000
     75      13.2884      0.00000
     76      13.5489      0.00000
     77      13.7133      0.00000
     78      13.7836      0.00000
     79      13.8907      0.00000
     80      14.0677      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.6610      2.00000
      9      -0.7759      2.00000
     10      -0.6011      2.00000
     11       0.0764      2.00000
     12       0.2625      2.00000
     13       0.3777      2.00000
     14       0.3912      2.00000
     15       0.5506      2.00000
     16       0.6307      2.00000
     17       0.7410      2.00000
     18       0.7418      2.00000
     19       0.8361      2.00000
     20       0.8901      2.00000
     21       0.9238      2.00000
     22       1.0486      2.00000
     23       1.1043      2.00000
     24       1.1344      2.00000
     25       1.2355      2.00000
     26       1.3260      2.00000
     27       1.3562      2.00000
     28       1.4884      2.00000
     29       1.6057      2.00000
     30       1.6172      2.00000
     31       1.7826      2.00000
     32       1.9046      2.00000
     33       1.9067      2.00000
     34       2.0929      2.00000
     35       2.1478      2.00000
     36       2.2262      2.00000
     37       2.3508      2.00000
     38       2.4402      2.00000
     39       2.4656      2.00000
     40       2.4723      2.00000
     41       2.5420      2.00000
     42       2.6197      2.00000
     43       2.6811      2.00000
     44       2.6880      2.00000
     45       2.8171      2.00000
     46       2.8735      2.00000
     47       2.9563      2.00000
     48       2.9796      2.00000
     49       3.1531      2.00000
     50       3.2328      2.00000
     51       3.3197      2.00000
     52       3.3405      2.00000
     53       3.4431      2.00000
     54       3.5343      2.00000
     55       3.7181      2.00000
     56       3.7525      2.00000
     57       3.9910      2.00000
     58       4.2032      2.00000
     59       5.8160      2.05495
     60       7.2653     -0.00000
     61       7.4250     -0.00000
     62       7.4638     -0.00000
     63       7.7576     -0.00000
     64       8.2381     -0.00000
     65       8.7270     -0.00000
     66       9.2660     -0.00000
     67       9.8845     -0.00000
     68      10.4838     -0.00000
     69      10.6601     -0.00000
     70      11.2217     -0.00000
     71      11.2658     -0.00000
     72      11.4332     -0.00000
     73      12.4111      0.00000
     74      12.9888      0.00000
     75      13.1493      0.00000
     76      13.1904      0.00000
     77      13.4177      0.00000
     78      13.8913      0.00000
     79      13.9074      0.00000
     80      14.5974      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3931      2.00000
      9      -0.7689      2.00000
     10      -0.4086      2.00000
     11       0.1164      2.00000
     12       0.1918      2.00000
     13       0.4724      2.00000
     14       0.5385      2.00000
     15       0.6261      2.00000
     16       0.6437      2.00000
     17       0.7460      2.00000
     18       0.7603      2.00000
     19       0.9195      2.00000
     20       0.9582      2.00000
     21       0.9922      2.00000
     22       0.9982      2.00000
     23       1.1036      2.00000
     24       1.1683      2.00000
     25       1.1913      2.00000
     26       1.3337      2.00000
     27       1.3556      2.00000
     28       1.5600      2.00000
     29       1.6171      2.00000
     30       1.7307      2.00000
     31       1.7689      2.00000
     32       1.8292      2.00000
     33       1.9645      2.00000
     34       2.0206      2.00000
     35       2.0505      2.00000
     36       2.1503      2.00000
     37       2.2805      2.00000
     38       2.2811      2.00000
     39       2.3626      2.00000
     40       2.5172      2.00000
     41       2.5563      2.00000
     42       2.6464      2.00000
     43       2.7094      2.00000
     44       2.7437      2.00000
     45       2.8003      2.00000
     46       2.8955      2.00000
     47       2.9238      2.00000
     48       3.0140      2.00000
     49       3.1081      2.00000
     50       3.1590      2.00000
     51       3.2226      2.00000
     52       3.3508      2.00000
     53       3.3736      2.00000
     54       3.5673      2.00000
     55       3.7857      2.00000
     56       3.8440      2.00000
     57       3.9893      2.00000
     58       4.2326      2.00000
     59       6.2157     -0.04440
     60       6.5072     -0.00313
     61       7.3898     -0.00000
     62       7.7810     -0.00000
     63       7.8900     -0.00000
     64       8.3534     -0.00000
     65       8.5591     -0.00000
     66       8.8114     -0.00000
     67       8.8386     -0.00000
     68       9.6454     -0.00000
     69      10.2126     -0.00000
     70      10.6333     -0.00000
     71      10.7739     -0.00000
     72      11.1154     -0.00000
     73      11.9492      0.00000
     74      12.3016      0.00000
     75      12.6577      0.00000
     76      13.1709      0.00000
     77      13.6199      0.00000
     78      13.9384      0.00000
     79      14.2771      0.00000
     80      14.6676      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5973      2.00000
      8      -0.9059      2.00000
      9      -0.3806      2.00000
     10      -0.0391      2.00000
     11       0.0623      2.00000
     12       0.4448      2.00000
     13       0.4974      2.00000
     14       0.5991      2.00000
     15       0.6959      2.00000
     16       0.7560      2.00000
     17       0.7600      2.00000
     18       0.8275      2.00000
     19       0.8894      2.00000
     20       1.0031      2.00000
     21       1.0389      2.00000
     22       1.1600      2.00000
     23       1.2383      2.00000
     24       1.2916      2.00000
     25       1.3791      2.00000
     26       1.4192      2.00000
     27       1.4946      2.00000
     28       1.6134      2.00000
     29       1.6587      2.00000
     30       1.7184      2.00000
     31       1.7894      2.00000
     32       1.8399      2.00000
     33       1.9263      2.00000
     34       1.9818      2.00000
     35       2.0322      2.00000
     36       2.0741      2.00000
     37       2.2195      2.00000
     38       2.2556      2.00000
     39       2.2905      2.00000
     40       2.4066      2.00000
     41       2.5553      2.00000
     42       2.6251      2.00000
     43       2.6370      2.00000
     44       2.7110      2.00000
     45       2.7412      2.00000
     46       2.8348      2.00000
     47       2.8704      2.00000
     48       2.9071      2.00000
     49       2.9370      2.00000
     50       3.0362      2.00000
     51       3.1364      2.00000
     52       3.3071      2.00000
     53       3.3428      2.00000
     54       3.4893      2.00000
     55       3.5729      2.00000
     56       3.7535      2.00000
     57       4.4174      2.00000
     58       5.2222      2.00000
     59       5.2917      2.00000
     60       5.9564      1.51589
     61       7.0577     -0.00000
     62       7.1885     -0.00000
     63       7.3411     -0.00000
     64       7.4454     -0.00000
     65       8.1657     -0.00000
     66       8.4081     -0.00000
     67       8.6224     -0.00000
     68       9.0587     -0.00000
     69       9.3309     -0.00000
     70       9.8304     -0.00000
     71      10.7677     -0.00000
     72      10.9759     -0.00000
     73      11.2758     -0.00000
     74      11.6045      0.00000
     75      12.5176      0.00000
     76      13.0954      0.00000
     77      13.4160      0.00000
     78      13.6719      0.00000
     79      13.9109      0.00000
     80      14.1253      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3888      2.00000
      9      -0.0745      2.00000
     10       0.1031      2.00000
     11       0.1590      2.00000
     12       0.4583      2.00000
     13       0.4946      2.00000
     14       0.5532      2.00000
     15       0.6750      2.00000
     16       0.7847      2.00000
     17       0.9119      2.00000
     18       0.9439      2.00000
     19       1.1142      2.00000
     20       1.1685      2.00000
     21       1.2173      2.00000
     22       1.2392      2.00000
     23       1.3311      2.00000
     24       1.4133      2.00000
     25       1.4424      2.00000
     26       1.4879      2.00000
     27       1.5631      2.00000
     28       1.6225      2.00000
     29       1.6630      2.00000
     30       1.7199      2.00000
     31       1.8302      2.00000
     32       1.9144      2.00000
     33       1.9636      2.00000
     34       2.0354      2.00000
     35       2.1084      2.00000
     36       2.1214      2.00000
     37       2.2026      2.00000
     38       2.3004      2.00000
     39       2.3141      2.00000
     40       2.3573      2.00000
     41       2.4697      2.00000
     42       2.5314      2.00000
     43       2.5557      2.00000
     44       2.6287      2.00000
     45       2.6997      2.00000
     46       2.7403      2.00000
     47       2.8165      2.00000
     48       2.8386      2.00000
     49       2.9523      2.00000
     50       3.0747      2.00000
     51       3.1840      2.00000
     52       3.2867      2.00000
     53       3.3436      2.00000
     54       3.4709      2.00000
     55       3.5906      2.00000
     56       3.7898      2.00000
     57       4.0908      2.00000
     58       4.2992      2.00000
     59       5.4718      2.00072
     60       5.8609      1.98005
     61       6.0246      0.96901
     62       6.3385     -0.04723
     63       6.7280     -0.00001
     64       7.1278     -0.00000
     65       7.6079     -0.00000
     66       8.0711     -0.00000
     67       8.3364     -0.00000
     68       8.9240     -0.00000
     69       9.4384     -0.00000
     70      10.2374     -0.00000
     71      10.4202     -0.00000
     72      10.5673     -0.00000
     73      11.3176     -0.00000
     74      11.8295      0.00000
     75      12.1668      0.00000
     76      12.9418      0.00000
     77      13.0168      0.00000
     78      13.6857      0.00000
     79      14.0006      0.00000
     80      14.6427      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4449      2.00000
      9      -0.1478      2.00000
     10       0.0494      2.00000
     11       0.1346      2.00000
     12       0.4984      2.00000
     13       0.5334      2.00000
     14       0.6335      2.00000
     15       0.7161      2.00000
     16       0.8985      2.00000
     17       0.9229      2.00000
     18       1.0365      2.00000
     19       1.0776      2.00000
     20       1.1380      2.00000
     21       1.1828      2.00000
     22       1.2557      2.00000
     23       1.2979      2.00000
     24       1.3932      2.00000
     25       1.4151      2.00000
     26       1.4601      2.00000
     27       1.5081      2.00000
     28       1.6607      2.00000
     29       1.6989      2.00000
     30       1.7440      2.00000
     31       1.7971      2.00000
     32       1.8750      2.00000
     33       1.9152      2.00000
     34       2.0081      2.00000
     35       2.0801      2.00000
     36       2.1872      2.00000
     37       2.2131      2.00000
     38       2.2848      2.00000
     39       2.3521      2.00000
     40       2.3719      2.00000
     41       2.4521      2.00000
     42       2.5067      2.00000
     43       2.5544      2.00000
     44       2.6565      2.00000
     45       2.6919      2.00000
     46       2.7437      2.00000
     47       2.8142      2.00000
     48       2.8849      2.00000
     49       2.9080      2.00000
     50       3.1124      2.00000
     51       3.1668      2.00000
     52       3.2537      2.00000
     53       3.4785      2.00000
     54       3.5659      2.00000
     55       3.6042      2.00000
     56       3.8992      2.00000
     57       4.3441      2.00000
     58       4.8622      2.00000
     59       5.0043      2.00000
     60       5.2094      2.00000
     61       5.6165      2.01488
     62       5.8125      2.05790
     63       6.7218     -0.00001
     64       7.1828     -0.00000
     65       7.6963     -0.00000
     66       7.8809     -0.00000
     67       8.7078     -0.00000
     68       9.4991     -0.00000
     69       9.9572     -0.00000
     70      10.1292     -0.00000
     71      10.4736     -0.00000
     72      10.5922     -0.00000
     73      11.1476     -0.00000
     74      11.8179      0.00000
     75      12.2370      0.00000
     76      12.7485      0.00000
     77      13.5917      0.00000
     78      14.0683      0.00000
     79      14.3236      0.00000
     80      14.4703      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0788      2.00000
      9      -0.3677      2.00000
     10      -0.1145      2.00000
     11       0.2730      2.00000
     12       0.4388      2.00000
     13       0.5119      2.00000
     14       0.5447      2.00000
     15       0.6825      2.00000
     16       0.7862      2.00000
     17       0.8428      2.00000
     18       0.9200      2.00000
     19       0.9513      2.00000
     20       1.0522      2.00000
     21       1.0850      2.00000
     22       1.1731      2.00000
     23       1.2212      2.00000
     24       1.2705      2.00000
     25       1.3242      2.00000
     26       1.4155      2.00000
     27       1.4559      2.00000
     28       1.5522      2.00000
     29       1.6111      2.00000
     30       1.7725      2.00000
     31       1.8213      2.00000
     32       1.8469      2.00000
     33       1.9675      2.00000
     34       1.9977      2.00000
     35       2.0543      2.00000
     36       2.1073      2.00000
     37       2.1353      2.00000
     38       2.2089      2.00000
     39       2.3317      2.00000
     40       2.4305      2.00000
     41       2.4717      2.00000
     42       2.6068      2.00000
     43       2.6521      2.00000
     44       2.6846      2.00000
     45       2.7896      2.00000
     46       2.8200      2.00000
     47       2.8739      2.00000
     48       2.9262      2.00000
     49       2.9786      2.00000
     50       3.0846      2.00000
     51       3.1313      2.00000
     52       3.2400      2.00000
     53       3.3222      2.00000
     54       3.4526      2.00000
     55       3.6275      2.00000
     56       4.0775      2.00000
     57       4.2791      2.00000
     58       5.1854      2.00000
     59       5.7513      2.06697
     60       5.9283      1.69802
     61       6.1171      0.28121
     62       6.5425     -0.00141
     63       6.7811     -0.00000
     64       7.2730     -0.00000
     65       7.6603     -0.00000
     66       8.3386     -0.00000
     67       9.3845     -0.00000
     68       9.5334     -0.00000
     69       9.9892     -0.00000
     70      10.1786     -0.00000
     71      11.3445     -0.00000
     72      11.5017      0.00000
     73      11.7731      0.00000
     74      11.9570      0.00000
     75      12.2867      0.00000
     76      12.7723      0.00000
     77      13.3602      0.00000
     78      13.6883      0.00000
     79      13.8352      0.00000
     80      14.2109      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5556      2.00000
      9      -0.5523      2.00000
     10      -0.4638      2.00000
     11       0.2098      2.00000
     12       0.2350      2.00000
     13       0.4731      2.00000
     14       0.5253      2.00000
     15       0.5951      2.00000
     16       0.6337      2.00000
     17       0.6729      2.00000
     18       0.7977      2.00000
     19       0.9033      2.00000
     20       0.9483      2.00000
     21       0.9895      2.00000
     22       1.0154      2.00000
     23       1.1214      2.00000
     24       1.1624      2.00000
     25       1.2212      2.00000
     26       1.3885      2.00000
     27       1.4344      2.00000
     28       1.4879      2.00000
     29       1.5979      2.00000
     30       1.6420      2.00000
     31       1.7285      2.00000
     32       1.8716      2.00000
     33       1.8887      2.00000
     34       2.0169      2.00000
     35       2.1081      2.00000
     36       2.2063      2.00000
     37       2.2690      2.00000
     38       2.3462      2.00000
     39       2.3722      2.00000
     40       2.4413      2.00000
     41       2.5878      2.00000
     42       2.6787      2.00000
     43       2.7062      2.00000
     44       2.7381      2.00000
     45       2.8428      2.00000
     46       2.8674      2.00000
     47       2.8950      2.00000
     48       3.0578      2.00000
     49       3.0930      2.00000
     50       3.1693      2.00000
     51       3.2298      2.00000
     52       3.2357      2.00000
     53       3.5337      2.00000
     54       3.6181      2.00000
     55       3.6543      2.00000
     56       3.8514      2.00000
     57       3.9791      2.00000
     58       4.4850      2.00000
     59       5.6778      2.03575
     60       6.3671     -0.03444
     61       6.7092     -0.00001
     62       7.5094     -0.00000
     63       7.9722     -0.00000
     64       8.6863     -0.00000
     65       8.8832     -0.00000
     66       9.2142     -0.00000
     67       9.3773     -0.00000
     68       9.4740     -0.00000
     69       9.7950     -0.00000
     70      10.5230     -0.00000
     71      11.1878     -0.00000
     72      11.5467      0.00000
     73      12.0648      0.00000
     74      12.2484      0.00000
     75      13.0212      0.00000
     76      13.2525      0.00000
     77      13.2969      0.00000
     78      13.8595      0.00000
     79      14.5950      0.00000
     80      14.6822      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6519      2.00000
      5     -39.6512      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.6120      2.00000
      9      -0.8253      2.00000
     10      -0.5693      2.00000
     11       0.0743      2.00000
     12       0.1495      2.00000
     13       0.3623      2.00000
     14       0.3913      2.00000
     15       0.5502      2.00000
     16       0.6420      2.00000
     17       0.7658      2.00000
     18       0.7900      2.00000
     19       0.8726      2.00000
     20       0.8767      2.00000
     21       0.9209      2.00000
     22       1.0175      2.00000
     23       1.0316      2.00000
     24       1.0771      2.00000
     25       1.2552      2.00000
     26       1.3105      2.00000
     27       1.3794      2.00000
     28       1.4801      2.00000
     29       1.6266      2.00000
     30       1.6742      2.00000
     31       1.7614      2.00000
     32       1.8381      2.00000
     33       1.9582      2.00000
     34       2.0156      2.00000
     35       2.1725      2.00000
     36       2.2045      2.00000
     37       2.3314      2.00000
     38       2.4287      2.00000
     39       2.4658      2.00000
     40       2.4718      2.00000
     41       2.5154      2.00000
     42       2.6313      2.00000
     43       2.6391      2.00000
     44       2.6597      2.00000
     45       2.8309      2.00000
     46       2.8415      2.00000
     47       2.9519      2.00000
     48       2.9541      2.00000
     49       2.9843      2.00000
     50       3.1951      2.00000
     51       3.2556      2.00000
     52       3.4591      2.00000
     53       3.5531      2.00000
     54       3.6569      2.00000
     55       3.9680      2.00000
     56       4.0684      2.00000
     57       4.2155      2.00000
     58       4.6002      2.00000
     59       5.8690      1.95788
     60       6.1247      0.23954
     61       6.6490     -0.00008
     62       7.3662     -0.00000
     63       8.0063     -0.00000
     64       8.2541     -0.00000
     65       8.6574     -0.00000
     66       9.1148     -0.00000
     67       9.1706     -0.00000
     68      10.9125     -0.00000
     69      11.4444     -0.00000
     70      11.6362      0.00000
     71      11.9471      0.00000
     72      12.3455      0.00000
     73      12.6309      0.00000
     74      13.1703      0.00000
     75      13.2128      0.00000
     76      13.3653      0.00000
     77      13.4034      0.00000
     78      13.8341      0.00000
     79      13.8590      0.00000
     80      14.0931      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6512      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3563      2.00000
      9      -0.6617      2.00000
     10      -0.5401      2.00000
     11       0.0547      2.00000
     12       0.1880      2.00000
     13       0.4681      2.00000
     14       0.5576      2.00000
     15       0.6238      2.00000
     16       0.6370      2.00000
     17       0.7500      2.00000
     18       0.7924      2.00000
     19       0.9133      2.00000
     20       0.9255      2.00000
     21       0.9532      2.00000
     22       0.9842      2.00000
     23       1.1000      2.00000
     24       1.1266      2.00000
     25       1.1803      2.00000
     26       1.3725      2.00000
     27       1.4328      2.00000
     28       1.6003      2.00000
     29       1.6161      2.00000
     30       1.6809      2.00000
     31       1.7240      2.00000
     32       1.7754      2.00000
     33       1.9361      2.00000
     34       2.0215      2.00000
     35       2.0793      2.00000
     36       2.1924      2.00000
     37       2.2142      2.00000
     38       2.2829      2.00000
     39       2.4586      2.00000
     40       2.4822      2.00000
     41       2.5393      2.00000
     42       2.6423      2.00000
     43       2.6857      2.00000
     44       2.7304      2.00000
     45       2.7514      2.00000
     46       2.8477      2.00000
     47       2.8902      2.00000
     48       2.9890      2.00000
     49       3.0688      2.00000
     50       3.1433      2.00000
     51       3.1654      2.00000
     52       3.3195      2.00000
     53       3.4421      2.00000
     54       3.5243      2.00000
     55       3.7674      2.00000
     56       3.8986      2.00000
     57       5.0241      2.00000
     58       5.1325      2.00000
     59       5.6127      2.01396
     60       6.0403      0.83642
     61       6.8616     -0.00000
     62       7.3583     -0.00000
     63       7.5107     -0.00000
     64       7.7027     -0.00000
     65       8.1193     -0.00000
     66       8.2643     -0.00000
     67       9.9532     -0.00000
     68      10.3785     -0.00000
     69      10.5488     -0.00000
     70      11.0052     -0.00000
     71      11.1689     -0.00000
     72      11.6657      0.00000
     73      12.3342      0.00000
     74      12.4656      0.00000
     75      12.9832      0.00000
     76      13.1745      0.00000
     77      13.6601      0.00000
     78      13.7989      0.00000
     79      14.0925      0.00000
     80      14.3701      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -0.8978      2.00000
      9      -0.3632      2.00000
     10      -0.0489      2.00000
     11       0.0289      2.00000
     12       0.4718      2.00000
     13       0.4982      2.00000
     14       0.5832      2.00000
     15       0.6996      2.00000
     16       0.7365      2.00000
     17       0.7742      2.00000
     18       0.8307      2.00000
     19       0.8810      2.00000
     20       1.0002      2.00000
     21       1.0280      2.00000
     22       1.1386      2.00000
     23       1.2441      2.00000
     24       1.3398      2.00000
     25       1.3894      2.00000
     26       1.4632      2.00000
     27       1.5171      2.00000
     28       1.5577      2.00000
     29       1.5954      2.00000
     30       1.7532      2.00000
     31       1.8032      2.00000
     32       1.8736      2.00000
     33       1.9132      2.00000
     34       1.9684      2.00000
     35       2.0217      2.00000
     36       2.1299      2.00000
     37       2.1898      2.00000
     38       2.2313      2.00000
     39       2.2583      2.00000
     40       2.3286      2.00000
     41       2.5587      2.00000
     42       2.6124      2.00000
     43       2.6582      2.00000
     44       2.7258      2.00000
     45       2.7366      2.00000
     46       2.8504      2.00000
     47       2.8779      2.00000
     48       2.9162      2.00000
     49       2.9676      2.00000
     50       3.0494      2.00000
     51       3.1386      2.00000
     52       3.2777      2.00000
     53       3.3540      2.00000
     54       3.4167      2.00000
     55       3.5048      2.00000
     56       3.7179      2.00000
     57       4.7014      2.00000
     58       5.3881      2.00007
     59       5.6360      2.02026
     60       5.8393      2.02552
     61       6.6989     -0.00002
     62       6.9429     -0.00000
     63       7.1078     -0.00000
     64       7.2445     -0.00000
     65       8.4968     -0.00000
     66       8.5872     -0.00000
     67       8.7064     -0.00000
     68       8.9055     -0.00000
     69       9.2525     -0.00000
     70       9.6750     -0.00000
     71      10.8974     -0.00000
     72      11.0854     -0.00000
     73      11.2704     -0.00000
     74      11.8003      0.00000
     75      12.7554      0.00000
     76      13.0089      0.00000
     77      13.5241      0.00000
     78      13.7589      0.00000
     79      13.9957      0.00000
     80      14.3928      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3658      2.00000
      9      -0.1206      2.00000
     10       0.1009      2.00000
     11       0.1749      2.00000
     12       0.4655      2.00000
     13       0.5316      2.00000
     14       0.5916      2.00000
     15       0.6403      2.00000
     16       0.7474      2.00000
     17       0.9044      2.00000
     18       0.9516      2.00000
     19       1.0667      2.00000
     20       1.1538      2.00000
     21       1.1928      2.00000
     22       1.2452      2.00000
     23       1.3192      2.00000
     24       1.3962      2.00000
     25       1.4868      2.00000
     26       1.5133      2.00000
     27       1.5413      2.00000
     28       1.6256      2.00000
     29       1.7208      2.00000
     30       1.7411      2.00000
     31       1.8391      2.00000
     32       1.9085      2.00000
     33       1.9727      2.00000
     34       2.0440      2.00000
     35       2.1131      2.00000
     36       2.1766      2.00000
     37       2.2584      2.00000
     38       2.3087      2.00000
     39       2.3213      2.00000
     40       2.3825      2.00000
     41       2.4327      2.00000
     42       2.5207      2.00000
     43       2.5651      2.00000
     44       2.5846      2.00000
     45       2.6390      2.00000
     46       2.7059      2.00000
     47       2.7619      2.00000
     48       2.8091      2.00000
     49       2.9586      2.00000
     50       3.0486      2.00000
     51       3.1429      2.00000
     52       3.1841      2.00000
     53       3.3350      2.00000
     54       3.5369      2.00000
     55       3.6021      2.00000
     56       3.9592      2.00000
     57       4.1947      2.00000
     58       4.4176      2.00000
     59       5.2794      2.00000
     60       5.8354      2.03183
     61       5.9585      1.50077
     62       6.2595     -0.07059
     63       6.4696     -0.00675
     64       6.9977     -0.00000
     65       7.8671     -0.00000
     66       8.0372     -0.00000
     67       8.8286     -0.00000
     68       9.1488     -0.00000
     69       9.7287     -0.00000
     70       9.8576     -0.00000
     71      10.3742     -0.00000
     72      10.5816     -0.00000
     73      10.9634     -0.00000
     74      11.8539      0.00000
     75      12.4578      0.00000
     76      12.6224      0.00000
     77      13.3267      0.00000
     78      13.7211      0.00000
     79      14.3597      0.00000
     80      14.4507      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4373      2.00000
      9      -0.1368      2.00000
     10      -0.0165      2.00000
     11       0.1325      2.00000
     12       0.5475      2.00000
     13       0.5925      2.00000
     14       0.6481      2.00000
     15       0.7813      2.00000
     16       0.8056      2.00000
     17       0.9261      2.00000
     18       0.9685      2.00000
     19       1.0509      2.00000
     20       1.1119      2.00000
     21       1.1527      2.00000
     22       1.2420      2.00000
     23       1.3400      2.00000
     24       1.3884      2.00000
     25       1.4102      2.00000
     26       1.4908      2.00000
     27       1.5918      2.00000
     28       1.6710      2.00000
     29       1.7219      2.00000
     30       1.7710      2.00000
     31       1.8244      2.00000
     32       1.8895      2.00000
     33       1.9008      2.00000
     34       2.0058      2.00000
     35       2.1271      2.00000
     36       2.1823      2.00000
     37       2.2213      2.00000
     38       2.2465      2.00000
     39       2.3085      2.00000
     40       2.3971      2.00000
     41       2.4568      2.00000
     42       2.4940      2.00000
     43       2.5555      2.00000
     44       2.6231      2.00000
     45       2.6469      2.00000
     46       2.7307      2.00000
     47       2.7747      2.00000
     48       2.8263      2.00000
     49       2.8792      2.00000
     50       3.1372      2.00000
     51       3.1458      2.00000
     52       3.3473      2.00000
     53       3.4740      2.00000
     54       3.5784      2.00000
     55       3.6107      2.00000
     56       3.7783      2.00000
     57       4.3651      2.00000
     58       4.5645      2.00000
     59       5.1278      2.00000
     60       5.6224      2.01637
     61       5.7609      2.06934
     62       6.4087     -0.01939
     63       6.4996     -0.00368
     64       6.8361     -0.00000
     65       6.9993     -0.00000
     66       7.3798     -0.00000
     67       9.1075     -0.00000
     68       9.3489     -0.00000
     69      10.2479     -0.00000
     70      10.5575     -0.00000
     71      10.9184     -0.00000
     72      11.4182     -0.00000
     73      11.5696      0.00000
     74      11.8374      0.00000
     75      12.1814      0.00000
     76      12.6617      0.00000
     77      12.9346      0.00000
     78      13.1011      0.00000
     79      13.9034      0.00000
     80      14.2385      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1069      2.00000
      9      -0.3064      2.00000
     10      -0.1690      2.00000
     11       0.2356      2.00000
     12       0.4827      2.00000
     13       0.5486      2.00000
     14       0.5772      2.00000
     15       0.6571      2.00000
     16       0.7739      2.00000
     17       0.8589      2.00000
     18       0.9317      2.00000
     19       1.0200      2.00000
     20       1.0930      2.00000
     21       1.1241      2.00000
     22       1.1697      2.00000
     23       1.1939      2.00000
     24       1.2239      2.00000
     25       1.2563      2.00000
     26       1.3582      2.00000
     27       1.4862      2.00000
     28       1.5522      2.00000
     29       1.6400      2.00000
     30       1.6873      2.00000
     31       1.7939      2.00000
     32       1.8412      2.00000
     33       1.9707      2.00000
     34       2.0395      2.00000
     35       2.1031      2.00000
     36       2.1648      2.00000
     37       2.2223      2.00000
     38       2.2436      2.00000
     39       2.3054      2.00000
     40       2.3397      2.00000
     41       2.5287      2.00000
     42       2.6216      2.00000
     43       2.6469      2.00000
     44       2.7224      2.00000
     45       2.7371      2.00000
     46       2.7813      2.00000
     47       2.8212      2.00000
     48       2.9427      2.00000
     49       2.9999      2.00000
     50       3.0676      2.00000
     51       3.1409      2.00000
     52       3.2073      2.00000
     53       3.4282      2.00000
     54       3.4673      2.00000
     55       3.5694      2.00000
     56       3.7211      2.00000
     57       4.5338      2.00000
     58       4.7905      2.00000
     59       5.4111      2.00014
     60       5.9597      1.49241
     61       6.4821     -0.00527
     62       6.8146     -0.00000
     63       7.0938     -0.00000
     64       7.3915     -0.00000
     65       8.0524     -0.00000
     66       8.6701     -0.00000
     67       8.7636     -0.00000
     68       9.3427     -0.00000
     69       9.8366     -0.00000
     70       9.9231     -0.00000
     71      10.6652     -0.00000
     72      11.1763     -0.00000
     73      11.8821      0.00000
     74      12.1941      0.00000
     75      12.6570      0.00000
     76      13.2249      0.00000
     77      13.9613      0.00000
     78      14.0424      0.00000
     79      14.3715      0.00000
     80      14.4138      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5475      2.00000
      9      -0.6231      2.00000
     10      -0.3810      2.00000
     11       0.1898      2.00000
     12       0.2328      2.00000
     13       0.4369      2.00000
     14       0.5257      2.00000
     15       0.5871      2.00000
     16       0.6325      2.00000
     17       0.6924      2.00000
     18       0.8087      2.00000
     19       0.9169      2.00000
     20       0.9456      2.00000
     21       0.9848      2.00000
     22       1.0482      2.00000
     23       1.1337      2.00000
     24       1.1619      2.00000
     25       1.2517      2.00000
     26       1.2730      2.00000
     27       1.3864      2.00000
     28       1.5933      2.00000
     29       1.6445      2.00000
     30       1.7098      2.00000
     31       1.7605      2.00000
     32       1.8223      2.00000
     33       1.8694      2.00000
     34       1.9928      2.00000
     35       2.0354      2.00000
     36       2.1224      2.00000
     37       2.3104      2.00000
     38       2.3468      2.00000
     39       2.4468      2.00000
     40       2.5165      2.00000
     41       2.5278      2.00000
     42       2.6076      2.00000
     43       2.6762      2.00000
     44       2.7014      2.00000
     45       2.7960      2.00000
     46       2.8463      2.00000
     47       2.9049      2.00000
     48       3.0520      2.00000
     49       3.0957      2.00000
     50       3.2133      2.00000
     51       3.2326      2.00000
     52       3.3010      2.00000
     53       3.4044      2.00000
     54       3.5915      2.00000
     55       3.7984      2.00000
     56       3.8180      2.00000
     57       3.9788      2.00000
     58       4.7535      2.00000
     59       5.6594      2.02828
     60       6.5611     -0.00090
     61       6.8485     -0.00000
     62       7.4491     -0.00000
     63       7.8318     -0.00000
     64       7.8890     -0.00000
     65       8.4232     -0.00000
     66       9.0543     -0.00000
     67       9.2265     -0.00000
     68       9.9906     -0.00000
     69      10.4768     -0.00000
     70      10.7266     -0.00000
     71      11.1412     -0.00000
     72      11.4813      0.00000
     73      12.1373      0.00000
     74      12.6629      0.00000
     75      13.0041      0.00000
     76      13.3591      0.00000
     77      13.4981      0.00000
     78      13.9075      0.00000
     79      14.3211      0.00000
     80      14.5403      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6519      2.00000
      5     -39.6512      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.6062      2.00000
      9      -0.7800      2.00000
     10      -0.6549      2.00000
     11       0.0681      2.00000
     12       0.1923      2.00000
     13       0.3587      2.00000
     14       0.3888      2.00000
     15       0.5673      2.00000
     16       0.6155      2.00000
     17       0.7291      2.00000
     18       0.7869      2.00000
     19       0.8487      2.00000
     20       0.9105      2.00000
     21       0.9271      2.00000
     22       1.0674      2.00000
     23       1.1160      2.00000
     24       1.1536      2.00000
     25       1.2465      2.00000
     26       1.2613      2.00000
     27       1.2720      2.00000
     28       1.4713      2.00000
     29       1.6055      2.00000
     30       1.6223      2.00000
     31       1.7497      2.00000
     32       1.7914      2.00000
     33       1.9146      2.00000
     34       2.1277      2.00000
     35       2.1602      2.00000
     36       2.3477      2.00000
     37       2.3571      2.00000
     38       2.3946      2.00000
     39       2.4411      2.00000
     40       2.4713      2.00000
     41       2.5388      2.00000
     42       2.6354      2.00000
     43       2.6674      2.00000
     44       2.7311      2.00000
     45       2.8020      2.00000
     46       2.8490      2.00000
     47       2.8993      2.00000
     48       2.9452      2.00000
     49       3.0422      2.00000
     50       3.1801      2.00000
     51       3.2284      2.00000
     52       3.3980      2.00000
     53       3.5934      2.00000
     54       3.6450      2.00000
     55       3.9594      2.00000
     56       4.0601      2.00000
     57       4.2348      2.00000
     58       4.4637      2.00000
     59       5.6826      2.03782
     60       6.2407     -0.06515
     61       6.6946     -0.00002
     62       7.5161     -0.00000
     63       7.8898     -0.00000
     64       8.1383     -0.00000
     65       8.8101     -0.00000
     66       9.3810     -0.00000
     67       9.5949     -0.00000
     68      10.7425     -0.00000
     69      10.8984     -0.00000
     70      11.4768     -0.00000
     71      11.9821      0.00000
     72      12.0829      0.00000
     73      12.5161      0.00000
     74      12.8953      0.00000
     75      13.0122      0.00000
     76      13.2943      0.00000
     77      13.4454      0.00000
     78      13.9041      0.00000
     79      14.0597      0.00000
     80      14.3408      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3884      2.00000
      9      -0.7283      2.00000
     10      -0.4694      2.00000
     11       0.1202      2.00000
     12       0.1882      2.00000
     13       0.4805      2.00000
     14       0.5504      2.00000
     15       0.6311      2.00000
     16       0.6375      2.00000
     17       0.7500      2.00000
     18       0.7704      2.00000
     19       0.9312      2.00000
     20       0.9366      2.00000
     21       0.9546      2.00000
     22       0.9842      2.00000
     23       1.1214      2.00000
     24       1.1645      2.00000
     25       1.1846      2.00000
     26       1.3716      2.00000
     27       1.3827      2.00000
     28       1.5177      2.00000
     29       1.6189      2.00000
     30       1.6336      2.00000
     31       1.7963      2.00000
     32       1.8449      2.00000
     33       1.9643      2.00000
     34       1.9906      2.00000
     35       2.1669      2.00000
     36       2.2051      2.00000
     37       2.2235      2.00000
     38       2.2594      2.00000
     39       2.3088      2.00000
     40       2.5382      2.00000
     41       2.5783      2.00000
     42       2.6261      2.00000
     43       2.6984      2.00000
     44       2.7455      2.00000
     45       2.8170      2.00000
     46       2.9000      2.00000
     47       2.9603      2.00000
     48       3.0060      2.00000
     49       3.1152      2.00000
     50       3.1595      2.00000
     51       3.1999      2.00000
     52       3.3135      2.00000
     53       3.4039      2.00000
     54       3.5616      2.00000
     55       3.7477      2.00000
     56       3.9026      2.00000
     57       4.0358      2.00000
     58       4.2908      2.00000
     59       6.2431     -0.06628
     60       6.6645     -0.00005
     61       7.1187     -0.00000
     62       7.3139     -0.00000
     63       8.0057     -0.00000
     64       8.2290     -0.00000
     65       8.3882     -0.00000
     66       8.7933     -0.00000
     67       9.5645     -0.00000
     68       9.8259     -0.00000
     69      10.1394     -0.00000
     70      10.3469     -0.00000
     71      10.8689     -0.00000
     72      11.3404     -0.00000
     73      12.0527      0.00000
     74      12.2107      0.00000
     75      12.6342      0.00000
     76      13.1426      0.00000
     77      13.5576      0.00000
     78      13.7533      0.00000
     79      14.3205      0.00000
     80      14.6256      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -0.9122      2.00000
      9      -0.4501      2.00000
     10       0.0463      2.00000
     11       0.0967      2.00000
     12       0.3983      2.00000
     13       0.4990      2.00000
     14       0.6482      2.00000
     15       0.6736      2.00000
     16       0.7401      2.00000
     17       0.7803      2.00000
     18       0.8207      2.00000
     19       0.9069      2.00000
     20       1.0216      2.00000
     21       1.0472      2.00000
     22       1.1260      2.00000
     23       1.2333      2.00000
     24       1.2754      2.00000
     25       1.2975      2.00000
     26       1.3817      2.00000
     27       1.4657      2.00000
     28       1.6751      2.00000
     29       1.7001      2.00000
     30       1.7882      2.00000
     31       1.8256      2.00000
     32       1.8545      2.00000
     33       1.9122      2.00000
     34       1.9736      2.00000
     35       2.0007      2.00000
     36       2.0311      2.00000
     37       2.2387      2.00000
     38       2.2986      2.00000
     39       2.3521      2.00000
     40       2.4845      2.00000
     41       2.5215      2.00000
     42       2.5723      2.00000
     43       2.6911      2.00000
     44       2.7095      2.00000
     45       2.7445      2.00000
     46       2.7648      2.00000
     47       2.8579      2.00000
     48       2.8830      2.00000
     49       2.9162      2.00000
     50       3.0764      2.00000
     51       3.1686      2.00000
     52       3.3338      2.00000
     53       3.3486      2.00000
     54       3.5879      2.00000
     55       3.7537      2.00000
     56       3.8253      2.00000
     57       4.0263      2.00000
     58       4.6312      2.00000
     59       4.8236      2.00000
     60       6.5768     -0.00061
     61       7.0578     -0.00000
     62       7.5105     -0.00000
     63       7.6273     -0.00000
     64       7.8471     -0.00000
     65       8.0333     -0.00000
     66       8.6895     -0.00000
     67       8.9119     -0.00000
     68       9.1879     -0.00000
     69       9.5829     -0.00000
     70       9.6051     -0.00000
     71       9.8055     -0.00000
     72      10.0898     -0.00000
     73      11.4913      0.00000
     74      11.8024      0.00000
     75      11.8816      0.00000
     76      12.9974      0.00000
     77      13.3846      0.00000
     78      13.9828      0.00000
     79      14.2261      0.00000
     80      14.5830      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3620      2.00000
      9      -0.1199      2.00000
     10       0.1051      2.00000
     11       0.1545      2.00000
     12       0.4197      2.00000
     13       0.5371      2.00000
     14       0.6116      2.00000
     15       0.6946      2.00000
     16       0.7719      2.00000
     17       0.8957      2.00000
     18       0.9381      2.00000
     19       1.0684      2.00000
     20       1.1206      2.00000
     21       1.1843      2.00000
     22       1.2136      2.00000
     23       1.3446      2.00000
     24       1.3941      2.00000
     25       1.4480      2.00000
     26       1.5085      2.00000
     27       1.6586      2.00000
     28       1.7014      2.00000
     29       1.7215      2.00000
     30       1.7403      2.00000
     31       1.8365      2.00000
     32       1.8747      2.00000
     33       1.9362      2.00000
     34       2.0106      2.00000
     35       2.1242      2.00000
     36       2.1643      2.00000
     37       2.2546      2.00000
     38       2.2798      2.00000
     39       2.3495      2.00000
     40       2.3977      2.00000
     41       2.4384      2.00000
     42       2.5290      2.00000
     43       2.5720      2.00000
     44       2.5970      2.00000
     45       2.6440      2.00000
     46       2.6810      2.00000
     47       2.7311      2.00000
     48       2.7946      2.00000
     49       2.8781      2.00000
     50       3.0781      2.00000
     51       3.1282      2.00000
     52       3.1806      2.00000
     53       3.2264      2.00000
     54       3.4910      2.00000
     55       3.6007      2.00000
     56       3.9614      2.00000
     57       4.6275      2.00000
     58       4.7024      2.00000
     59       5.1214      2.00000
     60       5.6495      2.02466
     61       5.7790      2.07084
     62       6.0890      0.45894
     63       6.3855     -0.02713
     64       6.9336     -0.00000
     65       7.6609     -0.00000
     66       8.4574     -0.00000
     67       9.0046     -0.00000
     68       9.3602     -0.00000
     69       9.4774     -0.00000
     70       9.8196     -0.00000
     71      10.6691     -0.00000
     72      11.0252     -0.00000
     73      11.3783     -0.00000
     74      11.7087      0.00000
     75      12.0818      0.00000
     76      12.4194      0.00000
     77      12.7601      0.00000
     78      13.6231      0.00000
     79      13.9663      0.00000
     80      14.1652      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4261      2.00000
      9      -0.1851      2.00000
     10       0.0394      2.00000
     11       0.1396      2.00000
     12       0.5289      2.00000
     13       0.5893      2.00000
     14       0.6798      2.00000
     15       0.7405      2.00000
     16       0.7978      2.00000
     17       0.8779      2.00000
     18       0.9544      2.00000
     19       1.0932      2.00000
     20       1.1103      2.00000
     21       1.2004      2.00000
     22       1.2750      2.00000
     23       1.2965      2.00000
     24       1.3657      2.00000
     25       1.4140      2.00000
     26       1.4668      2.00000
     27       1.5525      2.00000
     28       1.6698      2.00000
     29       1.7441      2.00000
     30       1.7754      2.00000
     31       1.8325      2.00000
     32       1.8495      2.00000
     33       1.9615      2.00000
     34       2.0619      2.00000
     35       2.0949      2.00000
     36       2.1333      2.00000
     37       2.2436      2.00000
     38       2.2800      2.00000
     39       2.2893      2.00000
     40       2.4397      2.00000
     41       2.4771      2.00000
     42       2.4798      2.00000
     43       2.5562      2.00000
     44       2.6268      2.00000
     45       2.6519      2.00000
     46       2.7058      2.00000
     47       2.7937      2.00000
     48       2.8050      2.00000
     49       2.8828      2.00000
     50       3.0930      2.00000
     51       3.1693      2.00000
     52       3.2525      2.00000
     53       3.4850      2.00000
     54       3.5649      2.00000
     55       3.6554      2.00000
     56       4.0642      2.00000
     57       4.5137      2.00000
     58       4.5655      2.00000
     59       4.8302      2.00000
     60       5.1707      2.00000
     61       5.6593      2.02824
     62       6.1401      0.16365
     63       6.4031     -0.02110
     64       7.5683     -0.00000
     65       7.7376     -0.00000
     66       8.0311     -0.00000
     67       8.4205     -0.00000
     68       8.9595     -0.00000
     69       9.6356     -0.00000
     70      10.2620     -0.00000
     71      10.4038     -0.00000
     72      11.2729     -0.00000
     73      11.6945      0.00000
     74      12.2895      0.00000
     75      12.4711      0.00000
     76      12.6297      0.00000
     77      13.3670      0.00000
     78      13.6158      0.00000
     79      14.1774      0.00000
     80      14.3147      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0467      2.00000
      9      -0.4618      2.00000
     10      -0.0785      2.00000
     11       0.3285      2.00000
     12       0.4436      2.00000
     13       0.5151      2.00000
     14       0.5681      2.00000
     15       0.6453      2.00000
     16       0.7489      2.00000
     17       0.8203      2.00000
     18       0.9218      2.00000
     19       0.9926      2.00000
     20       1.0233      2.00000
     21       1.0978      2.00000
     22       1.1865      2.00000
     23       1.2119      2.00000
     24       1.3162      2.00000
     25       1.3406      2.00000
     26       1.3618      2.00000
     27       1.4405      2.00000
     28       1.5066      2.00000
     29       1.6049      2.00000
     30       1.7688      2.00000
     31       1.8428      2.00000
     32       1.8636      2.00000
     33       1.9312      2.00000
     34       1.9884      2.00000
     35       2.0429      2.00000
     36       2.1228      2.00000
     37       2.1948      2.00000
     38       2.2609      2.00000
     39       2.3313      2.00000
     40       2.4516      2.00000
     41       2.4951      2.00000
     42       2.5108      2.00000
     43       2.6515      2.00000
     44       2.6840      2.00000
     45       2.7646      2.00000
     46       2.8036      2.00000
     47       2.8526      2.00000
     48       2.9297      2.00000
     49       3.0251      2.00000
     50       3.0849      2.00000
     51       3.1512      2.00000
     52       3.2232      2.00000
     53       3.3265      2.00000
     54       3.4889      2.00000
     55       3.6533      2.00000
     56       3.8528      2.00000
     57       4.7598      2.00000
     58       5.2141      2.00000
     59       5.3429      2.00002
     60       5.6017      2.01157
     61       6.3451     -0.04420
     62       6.5439     -0.00136
     63       7.2887     -0.00000
     64       7.3904     -0.00000
     65       7.6684     -0.00000
     66       8.0611     -0.00000
     67       8.8583     -0.00000
     68       9.6553     -0.00000
     69       9.9847     -0.00000
     70      10.5015     -0.00000
     71      10.6848     -0.00000
     72      11.0125     -0.00000
     73      11.3088     -0.00000
     74      12.4680      0.00000
     75      13.0260      0.00000
     76      13.3011      0.00000
     77      13.5972      0.00000
     78      14.1306      0.00000
     79      14.2288      0.00000
     80      14.8646      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6512      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.4859      2.00000
      9      -0.7328      2.00000
     10      -0.3571      2.00000
     11       0.1619      2.00000
     12       0.2198      2.00000
     13       0.4641      2.00000
     14       0.5328      2.00000
     15       0.6094      2.00000
     16       0.6332      2.00000
     17       0.6646      2.00000
     18       0.8243      2.00000
     19       0.8804      2.00000
     20       0.9383      2.00000
     21       0.9791      2.00000
     22       0.9967      2.00000
     23       1.1455      2.00000
     24       1.1829      2.00000
     25       1.2486      2.00000
     26       1.3242      2.00000
     27       1.4374      2.00000
     28       1.5485      2.00000
     29       1.5974      2.00000
     30       1.6174      2.00000
     31       1.6920      2.00000
     32       1.8967      2.00000
     33       1.9657      2.00000
     34       2.0196      2.00000
     35       2.0937      2.00000
     36       2.1961      2.00000
     37       2.2590      2.00000
     38       2.3348      2.00000
     39       2.3553      2.00000
     40       2.4560      2.00000
     41       2.4742      2.00000
     42       2.6340      2.00000
     43       2.6760      2.00000
     44       2.7552      2.00000
     45       2.7800      2.00000
     46       2.8309      2.00000
     47       2.9668      2.00000
     48       2.9888      2.00000
     49       3.1188      2.00000
     50       3.1550      2.00000
     51       3.2002      2.00000
     52       3.3073      2.00000
     53       3.3822      2.00000
     54       3.6153      2.00000
     55       3.7830      2.00000
     56       3.8333      2.00000
     57       4.6205      2.00000
     58       5.1334      2.00000
     59       5.6812      2.03722
     60       6.1389      0.16909
     61       6.4457     -0.01049
     62       6.9220     -0.00000
     63       7.2633     -0.00000
     64       7.9436     -0.00000
     65       8.8998     -0.00000
     66       8.9883     -0.00000
     67       9.2271     -0.00000
     68       9.9843     -0.00000
     69      10.0573     -0.00000
     70      11.7073      0.00000
     71      11.9152      0.00000
     72      12.1232      0.00000
     73      12.2409      0.00000
     74      12.4611      0.00000
     75      12.8982      0.00000
     76      13.2983      0.00000
     77      13.5697      0.00000
     78      13.8161      0.00000
     79      13.9604      0.00000
     80      14.4635      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.010   0.030   0.011   0.006  -1.169  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.073  -0.271   0.019  -0.182  -0.014  -1.059   0.225  -0.010   0.145  -0.068   0.013  -0.001   0.171   0.008   0.000
  0.030  -0.271   2.654   0.008  -0.313  -0.025   0.225  -0.697  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.943   0.016  -0.042  -0.010  -0.018  -1.106  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.313   0.016   3.079  -0.013   0.145   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.169  -0.014  -0.025  -0.042  -0.013   1.223   0.017   0.020   0.068   0.018  -0.016   0.005   0.012  -0.007  -0.289  -0.000
 -0.014  -1.059   0.225  -0.010   0.145   0.017   0.979  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.697  -0.018   0.231   0.020  -0.181   0.678   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.010  -0.018  -1.106  -0.007   0.068   0.003   0.025   1.166   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.231  -0.007  -1.017   0.018  -0.108  -0.160   0.001   0.908   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.063  -0.092   0.020   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.70
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.90: real time    6.93
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time     EDDAV:  cpu time   17.64: real time   17.69
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.39: real time   19.47

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.4959107E-02  (-0.1540847E-02)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0505513 magnetization 

 Broyden mixing:
  rms(total) = 0.20646E-01    rms(broyden)= 0.20646E-01
  rms(prec ) = 0.24740E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8574
  0.8574

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.62158486
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44397369
  PAW double counting   =      9473.89026955    -9401.75786184
  entropy T*S    EENTRO =         0.00485341
  eigenvalues    EBANDS =      -339.15403050
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87670507 eV

  energy without entropy =      -49.88155848  energy(sigma->0) =      -49.87832287
7.43
      direct lattice vectors                 reciprocal lattice vectors
     4.098621889 -0.101774007  0.141639606     0.243692473  0.100387897  0.080581805
    -3.909757378  8.754774566  0.917142993     0.002769632  0.115185692  0.002620990
    -2.321668729 -0.106969479  7.154364847    -0.005179587 -0.016753500  0.137843488

  length of vectors
     4.102331180  9.631896580  7.522401513     0.275603299  0.115248792  0.138954435


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.158E+03 0.254E+02   0.384E+01 0.161E+03 -.257E+02   -.166E+00 -.282E+01 0.299E+00   0.281E-04 -.542E-04 -.134E-03
   0.368E+01 0.158E+03 -.254E+02   -.384E+01 -.161E+03 0.257E+02   0.166E+00 0.282E+01 -.300E+00   -.292E-04 0.512E-04 0.134E-03
   0.317E+01 0.145E+03 0.754E+01   -.326E+01 -.147E+03 -.736E+01   0.929E-01 0.128E+01 -.178E+00   0.473E-04 0.278E-04 0.994E-04
   -.909E-01 -.686E+02 -.416E+02   0.974E-01 0.683E+02 0.425E+02   -.712E-02 0.336E+00 -.852E+00   0.219E-05 -.169E-04 -.900E-04
   0.628E+01 0.973E+02 -.972E+02   -.634E+01 -.986E+02 0.986E+02   0.632E-01 0.126E+01 -.139E+01   0.260E-04 0.325E-04 0.745E-04
   -.123E-01 0.295E-02 -.124E-01   0.123E-01 -.311E-02 0.125E-01   0.231E-03 0.677E-04 -.419E-04   0.253E-05 -.177E-05 -.105E-05
   -.624E+01 -.973E+02 0.972E+02   0.631E+01 0.986E+02 -.986E+02   -.640E-01 -.126E+01 0.139E+01   -.270E-04 -.302E-04 -.764E-04
   -.315E+01 -.145E+03 -.755E+01   0.325E+01 0.147E+03 0.737E+01   -.934E-01 -.128E+01 0.178E+00   -.506E-04 -.289E-04 -.968E-04
   0.584E-01 0.686E+02 0.416E+02   -.655E-01 -.683E+02 -.424E+02   0.826E-02 -.335E+00 0.853E+00   -.485E-05 0.269E-04 0.922E-04
   0.709E-02 0.116E-02 -.670E-03   -.690E-02 -.124E-02 0.535E-03   -.187E-03 0.167E-03 0.534E-04   0.108E-05 -.237E-05 0.212E-06
   0.940E+00 0.959E+01 -.281E+02   -.945E+00 -.941E+01 0.280E+02   0.490E-02 -.189E+00 0.994E-01   0.369E-05 0.506E-05 -.731E-05
   -.950E+00 -.959E+01 0.281E+02   0.955E+00 0.941E+01 -.280E+02   -.477E-02 0.189E+00 -.995E-01   -.335E-05 -.488E-05 0.701E-05
   0.757E+00 -.920E+01 -.205E+02   -.713E+00 0.924E+01 0.202E+02   -.438E-01 -.393E-01 0.271E+00   -.151E-05 -.110E-04 -.250E-05
   -.170E+01 -.621E+02 0.436E+01   0.169E+01 0.620E+02 -.462E+01   0.502E-02 0.686E-01 0.250E+00   -.362E-06 -.470E-05 0.215E-04
   -.753E+00 0.921E+01 0.205E+02   0.709E+00 -.925E+01 -.202E+02   0.436E-01 0.396E-01 -.271E+00   0.238E-05 0.953E-05 0.228E-05
   0.169E+01 0.621E+02 -.436E+01   -.168E+01 -.620E+02 0.461E+01   -.487E-02 -.684E-01 -.250E+00   0.568E-06 0.525E-05 -.224E-04
 -----------------------------------------------------------------------------------------------
   -.140E-03 0.333E-04 -.401E-04   0.355E-14 0.114E-12 -.586E-13   0.176E-03 0.880E-03 0.565E-04   -.303E-05 0.328E-05 0.140E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07070      6.35922      7.88706        -0.000326     -0.001634     -0.000111
     -2.91087      8.15226      4.53385         0.000362      0.001448      0.000004
     -1.04424      1.16111      4.62317        -0.000013     -0.000545      0.000698
     -2.90159      5.24052      2.40479        -0.000654      0.002008     -0.011558
      1.19211      1.83206      0.30995        -0.000083      0.001761      0.005293
     -3.08523      2.92921      5.68107         0.000234     -0.000149      0.000112
     -0.94222      4.03154      4.03947        -0.000516     -0.001611     -0.005725
     -1.02756      4.59565      6.88047        -0.000163      0.000173     -0.000386
      3.15129      0.62305      1.94453         0.001209     -0.002032      0.011684
     -5.03998      7.30664      6.13962        -0.000002      0.000031     -0.000083
     -0.84862      3.63601      1.26108        -0.000393     -0.001379     -0.001832
      1.09828      2.22768      3.08828         0.000370      0.001599      0.001829
     -0.85047      6.70187      3.45542         0.000172      0.003259     -0.003473
     -2.99609      5.53045      5.14348        -0.000813      0.000664     -0.004900
     -2.80946      7.91656      1.81109        -0.000327     -0.002942      0.003567
      0.92427      0.22619      6.36023         0.000945     -0.000652      0.004879
 -----------------------------------------------------------------------------------
    total drift:                                0.000033      0.000916      0.000018


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87768991 eV

  energy  without entropy=      -49.88258202  energy(sigma->0) =      -49.87932061
 
 d Force = 0.1721904E-04[ 0.155E-04, 0.190E-04]  d Energy = 0.9070012E-05 0.815E-05
 d Force =-0.1503280E+00[-0.151E+00,-0.150E+00]  d Ewald  = 0.6207704E+00-0.771E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.73
     LOOP+:  cpu time  139.61: real time  140.28


----------------------------------------- Iteration   13(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.63: real time   15.70
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.38: real time   17.46

 eigenvalue-minimisa     EDDAV:  cpu time   17.79: real time   17.84
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.54: real time   19.60

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.4759829E-03  (-0.9117729E-04)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0557696 magnetization 

 Broyden mixing:
  rms(total) = 0.12522E-01    rms(broyden)= 0.12522E-01
  rms(prec ) = 0.14497E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4837
  1.0720  1.8955

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.55493746
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43405037
  PAW double counting   =      9476.06714655    -9403.93981283
  entropy T*S    EENTRO =         0.00490062
  eigenvalues    EBANDS =      -339.20525181
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN       EDDAV:  cpu time   17.28: real time   17.36
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.03: real time   19.12

 eigenvalue-minimisations  :  7744
 total energy-change (2. order) : 0.1850562E-04  (-0.9794137E-05)
 number of electron     120     EDDAV:  cpu time   17.82: real time   17.86
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.56: real time   19.62

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.1965883E-03  (-0.3765201E-04)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0554180 magnetization 

 Broyden mixing:
  rms(total) = 0.27078E-02    rms(broyden)= 0.27078E-02
  rms(prec ) = 0.29426E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4311
  2.2195  1.0045  1.0693

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.55996064
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.42464614
  PAW double counting   =      9478.62009209    -9406.48843165
  entropy T*S    EENTRO =         0.00494357
  eigenvalues    EBANDS =      -339.19499749
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free e     EDDAV:  cpu time   19.60: real time   19.68
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.33: real time   21.43

 eigenvalue-minimisations  :  9136
 total energy-change (2. order) :-0.3873229E-06  (-0.3640283E-06)
 number of electron     120.0000047 magneti     EDDAV:  cpu time   19.04: real time   19.09
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.80: real time   20.86

 eigenvalue-minimisations  :  8784
 total energy-change (2. order) :-0.2934830E-05  (-0.4259463E-05)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0558757 magnetization 

 Broyden mixing:
  rms(total) = 0.16305E-02    rms(broyden)= 0.16304E-02
  rms(prec ) = 0.16790E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4057
  2.0326  1.8074  0.8913  0.8913

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.50654941
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.42072301
  PAW double counting   =      9478.70452859    -9406.56878432
  entropy T*S    EENTRO =         0.00494865
  eigenvalues    EBANDS =      -339.24857743
  atomic energy  EATOM  =      9754.20957531
  --------------------------------------------     EDDAV:  cpu time   17.86: real time   17.98
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.59: real time   19.72

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) :-0.8168117E-06  (-0.6023300E-07)
 number of electron     120.0000047 magnetization 
 augment     EDDAV:  cpu time   18.94: real time   19.07
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.68: real time   21.51

 eigenvalue-minimisations  :  8688
 total energy-change (2. order) :-0.2887264E-06  (-0.2571275E-06)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0558849 magnetization 

 Broyden mixing:
  rms(total) = 0.75974E-03    rms(broyden)= 0.75969E-03
  rms(prec ) = 0.77854E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5439
  2.4665  2.3771  1.0274  1.0274  0.8210

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.50384747
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.42056003
  PAW double counting   =      9478.49134684    -9406.35110660
  entropy T*S    EENTRO =         0.00494589
  eigenvalues    EBANDS =      -339.25560988
  atomic energy  EATOM  =      9754.20957531
  ----------------------------     EDDAV:  cpu time   14.32: real time   14.42
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   16.05: real time   16.17

 eigenvalue-minimisations  :  5840
 total energy-change (2. order) :-0.2027791E-06  (-0.1014297E-07)
 number of electron     120.0000047 magnetization 
 augmentation part           EDDAV:  cpu time   16.17: real time   16.22
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.92: real time   17.98

 eigenvalue-minimisations  :  6976
 total energy-change (2. order) :-0.2088673E-06  (-0.3196418E-07)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0558022 magnetization 

 Broyden mixing:
  rms(total) = 0.90964E-04    rms(broyden)= 0.90933E-04
  rms(prec ) = 0.10721E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4532
  2.4294  2.1142  1.4333  0.9755  0.9755  0.7913

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.51232855
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.42080951
  PAW double counting   =      9478.42182137    -9406.27754417
  entropy T*S    EENTRO =         0.00494568
  eigenvalues    EBANDS =      -339.25141524
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87603593 eV

  energy without entropy =      -49.88098161  energy(sigma->0) =      -49.87768449
2.33: real time   12.39

 eigenvalue-minimisations  :  4576
 total energy-change (2. order) : 0.2523120E-07  (-0.2308047E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0513459 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82224742
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47240529
  PAW double counting   =      9487.77155648    -9415.74795249
  entropy T*S    EENTRO =         0.00488785
  eigenvalues    EBANDS =      -338.29962396
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769057 eV

  energy without entropy =      -49.88257842  energy(sigma->0) =      -49.87931985


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4549       2 -67.4549       3 -67.5434       4 -67.5048       5 -67.5343
       6 -67.5959       7 -67.5343       8 -67.5434       9 -67.5049      10 -58.8776
      11 -59.0035      12 -59.0035      13 -58.6958      14 -58.7439      15 -58.6957
      16 -58.7438
 
 
 
 E-fermi :   6.0221     XC(G=0): -10.7509     alpha+bet :-12.3704


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7837      2.00000
      4     -39.6505      2.00000
      5     -39.6501      2.00000
      6     -39.6080      2.00000
      7     -39.5934      2.00000
      8      -1.9445      2.00000
      9      -0.6492      2.00000
     10      -0.1260      2.00000
     11       0.1691      2.00000
     12       0.2615      2.00000
     13       0.2926      2.00000
     14       0.4360      2.00000
     15       0.5353      2.00000
     16       0.6077      2.00000
     17       0.6334      2.00000
     18       0.6710      2.00000
     19       0.7447      2.00000
     20       0.8957      2.00000
     21       0.9424      2.00000
     22       1.0532      2.00000
     23       1.0997      2.00000
     24       1.1889      2.00000
     25       1.2215      2.00000
     26       1.2861      2.00000
     27       1.3155      2.00000
     28       1.5829      2.00000
     29       1.6538      2.00000
     30       1.7129      2.00000
     31       1.7419      2.00000
     32       1.7930      2.00000
     33       1.9230      2.00000
     34       1.9415      2.00000
     35       2.1519      2.00000
     36       2.1765      2.00000
     37       2.2769      2.00000
     38       2.3138      2.00000
     39       2.4493      2.00000
     40       2.5350      2.00000
     41       2.5885      2.00000
     42       2.6412      2.00000
     43       2.7263      2.00000
     44       2.8702      2.00000
     45       2.8770      2.00000
     46       2.9092      2.00000
     47       3.0021      2.00000
     48       3.0459      2.00000
     49       3.1051      2.00000
     50       3.1352      2.00000
     51       3.3322      2.00000
     52       3.3862      2.00000
     53       3.5043      2.00000
     54       3.5876      2.00000
     55       3.8968      2.00000
     56       4.0750      2.00000
     57       4.2336      2.00000
     58       4.2360      2.00000
     59       4.9526      2.00000
     60       5.6245      2.01663
     61       6.2831     -0.06915
     62       8.2005     -0.00000
     63       8.2976     -0.00000
     64       8.3283     -0.00000
     65       8.9391     -0.00000
     66       9.6764     -0.00000
     67      10.3892     -0.00000
     68      10.7461     -0.00000
     69      11.4847      0.00000
     70      11.7768      0.00000
     71      11.8299      0.00000
     72      12.0698      0.00000
     73      12.2776      0.00000
     74      12.3541      0.00000
     75      12.5204      0.00000
     76      12.7973      0.00000
     77      13.3016      0.00000
     78      13.6725      0.00000
     79      13.7987      0.00000
     80      14.6482      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6720      2.00000
      9      -0.5721      2.00000
     10      -0.2718      2.00000
     11       0.2614      2.00000
     12       0.2804      2.00000
     13       0.3889      2.00000
     14       0.4659      2.00000
     15       0.6000      2.00000
     16       0.6142      2.00000
     17       0.7323      2.00000
     18       0.8255      2.00000
     19       0.9119      2.00000
     20       0.9377      2.00000
     21       0.9750      2.00000
     22       1.1021      2.00000
     23       1.1188      2.00000
     24       1.1988      2.00000
     25       1.2505      2.00000
     26       1.3526      2.00000
     27       1.3828      2.00000
     28       1.4975      2.00000
     29       1.6283      2.00000
     30       1.6652      2.00000
     31       1.7550      2.00000
     32       1.8234      2.00000
     33       1.8567      2.00000
     34       2.0124      2.00000
     35       2.0346      2.00000
     36       2.1739      2.00000
     37       2.2557      2.00000
     38       2.3627      2.00000
     39       2.4577      2.00000
     40       2.5054      2.00000
     41       2.5665      2.00000
     42       2.6094      2.00000
     43       2.6868      2.00000
     44       2.7373      2.00000
     45       2.8060      2.00000
     46       2.8235      2.00000
     47       2.9266      2.00000
     48       3.0551      2.00000
     49       3.1171      2.00000
     50       3.1991      2.00000
     51       3.2417      2.00000
     52       3.2753      2.00000
     53       3.4211      2.00000
     54       3.6203      2.00000
     55       3.7160      2.00000
     56       3.8525      2.00000
     57       4.0996      2.00000
     58       4.5870      2.00000
     59       5.5145      2.00195
     60       6.2807     -0.06961
     61       6.7997     -0.00000
     62       7.1060     -0.00000
     63       7.7193     -0.00000
     64       8.1730     -0.00000
     65       8.5907     -0.00000
     66       8.7259     -0.00000
     67       9.6437     -0.00000
     68      10.2988     -0.00000
     69      10.6210     -0.00000
     70      10.6691     -0.00000
     71      11.1363     -0.00000
     72      11.7292      0.00000
     73      12.5603      0.00000
     74      12.9511      0.00000
     75      13.2361      0.00000
     76      13.3000      0.00000
     77      13.4863      0.00000
     78      13.8711      0.00000
     79      14.4574      0.00000
     80      14.7197      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0312      2.00000
      9      -0.4121      2.00000
     10      -0.1240      2.00000
     11       0.3224      2.00000
     12       0.4238      2.00000
     13       0.5007      2.00000
     14       0.5871      2.00000
     15       0.6483      2.00000
     16       0.7357      2.00000
     17       0.8401      2.00000
     18       0.9174      2.00000
     19       0.9976      2.00000
     20       1.0429      2.00000
     21       1.0771      2.00000
     22       1.1768      2.00000
     23       1.2307      2.00000
     24       1.2832      2.00000
     25       1.3133      2.00000
     26       1.3613      2.00000
     27       1.4567      2.00000
     28       1.5550      2.00000
     29       1.6069      2.00000
     30       1.7281      2.00000
     31       1.8142      2.00000
     32       1.8607      2.00000
     33       1.9608      2.00000
     34       2.0175      2.00000
     35       2.1122      2.00000
     36       2.1253      2.00000
     37       2.1901      2.00000
     38       2.2549      2.00000
     39       2.3093      2.00000
     40       2.4040      2.00000
     41       2.4916      2.00000
     42       2.5405      2.00000
     43       2.6582      2.00000
     44       2.6959      2.00000
     45       2.7478      2.00000
     46       2.7984      2.00000
     47       2.8430      2.00000
     48       2.9293      2.00000
     49       3.0165      2.00000
     50       3.1028      2.00000
     51       3.1462      2.00000
     52       3.2407      2.00000
     53       3.3662      2.00000
     54       3.4606      2.00000
     55       3.5836      2.00000
     56       3.8247      2.00000
     57       4.6181      2.00000
     58       5.0116      2.00000
     59       5.4501      2.00040
     60       5.7925      2.06890
     61       6.4852     -0.00507
     62       6.8406     -0.00000
     63       6.9875     -0.00000
     64       7.5325     -0.00000
     65       8.0000     -0.00000
     66       8.3487     -0.00000
     67       8.6960     -0.00000
     68       9.4288     -0.00000
     69       9.8092     -0.00000
     70      10.3601     -0.00000
     71      10.4818     -0.00000
     72      10.7956     -0.00000
     73      11.4167     -0.00000
     74      12.1933      0.00000
     75      13.1316      0.00000
     76      13.6930      0.00000
     77      13.7602      0.00000
     78      13.8862      0.00000
     79      14.2962      0.00000
     80      14.6965      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3895      2.00000
      9      -0.1085      2.00000
     10       0.0915      2.00000
     11       0.1646      2.00000
     12       0.4865      2.00000
     13       0.5108      2.00000
     14       0.5627      2.00000
     15       0.6362      2.00000
     16       0.8284      2.00000
     17       0.9198      2.00000
     18       0.9352      2.00000
     19       1.1143      2.00000
     20       1.1697      2.00000
     21       1.1857      2.00000
     22       1.2696      2.00000
     23       1.3731      2.00000
     24       1.3929      2.00000
     25       1.4088      2.00000
     26       1.4789      2.00000
     27       1.5190      2.00000
     28       1.6479      2.00000
     29       1.6861      2.00000
     30       1.7365      2.00000
     31       1.8050      2.00000
     32       1.9141      2.00000
     33       1.9573      2.00000
     34       2.0656      2.00000
     35       2.1487      2.00000
     36       2.1654      2.00000
     37       2.1866      2.00000
     38       2.2826      2.00000
     39       2.3177      2.00000
     40       2.3736      2.00000
     41       2.4661      2.00000
     42       2.4831      2.00000
     43       2.5521      2.00000
     44       2.6430      2.00000
     45       2.6758      2.00000
     46       2.7625      2.00000
     47       2.8055      2.00000
     48       2.8437      2.00000
     49       2.9261      2.00000
     50       3.0650      2.00000
     51       3.1671      2.00000
     52       3.2734      2.00000
     53       3.3682      2.00000
     54       3.5591      2.00000
     55       3.6439      2.00000
     56       3.8268      2.00000
     57       4.1526      2.00000
     58       4.2996      2.00000
     59       5.1396      2.00000
     60       5.8709      1.95574
     61       6.0529      0.74250
     62       6.1778      0.03122
     63       6.8225     -0.00000
     64       7.0824     -0.00000
     65       7.6754     -0.00000
     66       8.2242     -0.00000
     67       8.4900     -0.00000
     68       8.8376     -0.00000
     69       9.4895     -0.00000
     70       9.7795     -0.00000
     71      10.5328     -0.00000
     72      10.9729     -0.00000
     73      11.1489     -0.00000
     74      11.7894      0.00000
     75      12.2897      0.00000
     76      12.7668      0.00000
     77      13.4181      0.00000
     78      13.7844      0.00000
     79      13.9636      0.00000
     80      14.6527      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6500      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4438      2.00000
      9      -0.1784      2.00000
     10       0.0381      2.00000
     11       0.1385      2.00000
     12       0.5054      2.00000
     13       0.5280      2.00000
     14       0.7054      2.00000
     15       0.7434      2.00000
     16       0.8759      2.00000
     17       0.9155      2.00000
     18       0.9914      2.00000
     19       1.0693      2.00000
     20       1.0887      2.00000
     21       1.2424      2.00000
     22       1.2823      2.00000
     23       1.3306      2.00000
     24       1.3877      2.00000
     25       1.3967      2.00000
     26       1.4486      2.00000
     27       1.4951      2.00000
     28       1.6712      2.00000
     29       1.7041      2.00000
     30       1.7489      2.00000
     31       1.8059      2.00000
     32       1.8804      2.00000
     33       1.9084      2.00000
     34       2.0461      2.00000
     35       2.0843      2.00000
     36       2.1475      2.00000
     37       2.1641      2.00000
     38       2.2328      2.00000
     39       2.3413      2.00000
     40       2.4450      2.00000
     41       2.4671      2.00000
     42       2.5445      2.00000
     43       2.5869      2.00000
     44       2.6294      2.00000
     45       2.6807      2.00000
     46       2.7368      2.00000
     47       2.8118      2.00000
     48       2.8525      2.00000
     49       2.9131      2.00000
     50       3.1020      2.00000
     51       3.1846      2.00000
     52       3.2100      2.00000
     53       3.5226      2.00000
     54       3.5557      2.00000
     55       3.7461      2.00000
     56       4.2070      2.00000
     57       4.3974      2.00000
     58       4.5701      2.00000
     59       4.7277      2.00000
     60       5.1898      2.00000
     61       5.6212      2.01575
     62       6.0874      0.47852
     63       6.1040      0.36684
     64       7.1089     -0.00000
     65       8.2698     -0.00000
     66       8.4049     -0.00000
     67       8.9117     -0.00000
     68       9.1626     -0.00000
     69       9.2580     -0.00000
     70       9.9667     -0.00000
     71      10.4713     -0.00000
     72      10.6061     -0.00000
     73      11.3607     -0.00000
     74      11.9235      0.00000
     75      12.5822      0.00000
     76      13.1698      0.00000
     77      13.5258      0.00000
     78      13.8820      0.00000
     79      14.1375      0.00000
     80      14.4597      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5963      2.00000
      8      -1.1618      2.00000
      9      -0.4796      2.00000
     10       0.0256      2.00000
     11       0.1495      2.00000
     12       0.5212      2.00000
     13       0.5897      2.00000
     14       0.6503      2.00000
     15       0.6893      2.00000
     16       0.8215      2.00000
     17       0.8374      2.00000
     18       0.8723      2.00000
     19       0.9604      2.00000
     20       1.0897      2.00000
     21       1.1321      2.00000
     22       1.1877      2.00000
     23       1.2113      2.00000
     24       1.3081      2.00000
     25       1.3414      2.00000
     26       1.3970      2.00000
     27       1.4469      2.00000
     28       1.4799      2.00000
     29       1.6401      2.00000
     30       1.7395      2.00000
     31       1.7636      2.00000
     32       1.8416      2.00000
     33       1.9034      2.00000
     34       1.9620      2.00000
     35       2.0593      2.00000
     36       2.1624      2.00000
     37       2.2276      2.00000
     38       2.2987      2.00000
     39       2.3640      2.00000
     40       2.4422      2.00000
     41       2.5211      2.00000
     42       2.5597      2.00000
     43       2.6067      2.00000
     44       2.6610      2.00000
     45       2.7720      2.00000
     46       2.7961      2.00000
     47       2.8793      2.00000
     48       2.8917      2.00000
     49       3.0497      2.00000
     50       3.0943      2.00000
     51       3.1402      2.00000
     52       3.2145      2.00000
     53       3.3241      2.00000
     54       3.5338      2.00000
     55       3.7035      2.00000
     56       4.1036      2.00000
     57       4.4591      2.00000
     58       4.8504      2.00000
     59       5.4993      2.00137
     60       5.7063      2.04809
     61       6.0871      0.48073
     62       6.3678     -0.03463
     63       6.9741     -0.00000
     64       7.1894     -0.00000
     65       7.5869     -0.00000
     66       8.2250     -0.00000
     67       8.9884     -0.00000
     68       9.2580     -0.00000
     69      10.2426     -0.00000
     70      11.0430     -0.00000
     71      11.3254     -0.00000
     72      11.6895      0.00000
     73      12.1291      0.00000
     74      12.3748      0.00000
     75      12.7959      0.00000
     76      13.4310      0.00000
     77      13.6378      0.00000
     78      13.9079      0.00000
     79      14.2969      0.00000
     80      14.4204      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.7562      2.00000
      9      -0.6342      2.00000
     10       0.0427      2.00000
     11       0.1799      2.00000
     12       0.3298      2.00000
     13       0.3386      2.00000
     14       0.4053      2.00000
     15       0.6266      2.00000
     16       0.6453      2.00000
     17       0.7357      2.00000
     18       0.8147      2.00000
     19       0.8868      2.00000
     20       0.9103      2.00000
     21       1.0618      2.00000
     22       1.0680      2.00000
     23       1.1524      2.00000
     24       1.2200      2.00000
     25       1.2794      2.00000
     26       1.3039      2.00000
     27       1.3348      2.00000
     28       1.4637      2.00000
     29       1.6652      2.00000
     30       1.6833      2.00000
     31       1.7717      2.00000
     32       1.8317      2.00000
     33       1.9029      2.00000
     34       1.9256      2.00000
     35       2.0818      2.00000
     36       2.1566      2.00000
     37       2.2858      2.00000
     38       2.3350      2.00000
     39       2.3843      2.00000
     40       2.4884      2.00000
     41       2.5234      2.00000
     42       2.6207      2.00000
     43       2.7422      2.00000
     44       2.7989      2.00000
     45       2.8280      2.00000
     46       2.8745      2.00000
     47       2.9368      2.00000
     48       3.0270      2.00000
     49       3.0952      2.00000
     50       3.1284      2.00000
     51       3.2127      2.00000
     52       3.2691      2.00000
     53       3.4396      2.00000
     54       3.6821      2.00000
     55       3.7954      2.00000
     56       3.9509      2.00000
     57       4.1254      2.00000
     58       4.8608      2.00000
     59       5.0502      2.00000
     60       5.5661      2.00584
     61       6.7250     -0.00001
     62       7.1800     -0.00000
     63       7.7324     -0.00000
     64       8.2332     -0.00000
     65       8.7101     -0.00000
     66       8.9869     -0.00000
     67       9.3935     -0.00000
     68      10.1963     -0.00000
     69      10.7721     -0.00000
     70      10.8305     -0.00000
     71      11.4188     -0.00000
     72      12.4802      0.00000
     73      12.9043      0.00000
     74      13.0796      0.00000
     75      13.2778      0.00000
     76      13.4490      0.00000
     77      13.8177      0.00000
     78      13.8855      0.00000
     79      14.3172      0.00000
     80      14.4277      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7837      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.8640      2.00000
      9      -0.8962      2.00000
     10      -0.0301      2.00000
     11       0.1621      2.00000
     12       0.2094      2.00000
     13       0.2946      2.00000
     14       0.4290      2.00000
     15       0.5831      2.00000
     16       0.6121      2.00000
     17       0.6231      2.00000
     18       0.6888      2.00000
     19       0.7748      2.00000
     20       0.8439      2.00000
     21       0.9361      2.00000
     22       1.0399      2.00000
     23       1.0791      2.00000
     24       1.2515      2.00000
     25       1.3003      2.00000
     26       1.3972      2.00000
     27       1.4217      2.00000
     28       1.5913      2.00000
     29       1.6097      2.00000
     30       1.6486      2.00000
     31       1.7040      2.00000
     32       1.8055      2.00000
     33       1.8869      2.00000
     34       1.9448      2.00000
     35       2.1680      2.00000
     36       2.2257      2.00000
     37       2.2325      2.00000
     38       2.2952      2.00000
     39       2.4447      2.00000
     40       2.5025      2.00000
     41       2.6228      2.00000
     42       2.6625      2.00000
     43       2.6707      2.00000
     44       2.8198      2.00000
     45       2.8422      2.00000
     46       2.8862      2.00000
     47       2.9094      2.00000
     48       3.0619      2.00000
     49       3.1111      2.00000
     50       3.1515      2.00000
     51       3.3242      2.00000
     52       3.3682      2.00000
     53       3.4601      2.00000
     54       3.6364      2.00000
     55       3.9611      2.00000
     56       4.2260      2.00000
     57       4.2352      2.00000
     58       4.3502      2.00000
     59       4.8946      2.00000
     60       6.2844     -0.06885
     61       6.4932     -0.00431
     62       6.9268     -0.00000
     63       7.2088     -0.00000
     64       8.8223     -0.00000
     65       9.5581     -0.00000
     66       9.7110     -0.00000
     67       9.9043     -0.00000
     68      10.9910     -0.00000
     69      11.2026     -0.00000
     70      11.2956     -0.00000
     71      11.4627     -0.00000
     72      12.3190      0.00000
     73      12.7008      0.00000
     74      13.1425      0.00000
     75      13.4046      0.00000
     76      13.5326      0.00000
     77      13.8278      0.00000
     78      13.9952      0.00000
     79      14.2781      0.00000
     80      14.5348      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.5834      2.00000
      9      -0.8160      2.00000
     10      -0.1466      2.00000
     11       0.2266      2.00000
     12       0.2643      2.00000
     13       0.4243      2.00000
     14       0.5035      2.00000
     15       0.5758      2.00000
     16       0.6208      2.00000
     17       0.6882      2.00000
     18       0.7871      2.00000
     19       0.8881      2.00000
     20       0.9600      2.00000
     21       0.9838      2.00000
     22       1.0539      2.00000
     23       1.1562      2.00000
     24       1.2171      2.00000
     25       1.2960      2.00000
     26       1.3712      2.00000
     27       1.4020      2.00000
     28       1.5319      2.00000
     29       1.5648      2.00000
     30       1.6206      2.00000
     31       1.6722      2.00000
     32       1.8894      2.00000
     33       1.9687      2.00000
     34       2.0211      2.00000
     35       2.1609      2.00000
     36       2.1872      2.00000
     37       2.2686      2.00000
     38       2.3172      2.00000
     39       2.3654      2.00000
     40       2.3892      2.00000
     41       2.4495      2.00000
     42       2.6561      2.00000
     43       2.6721      2.00000
     44       2.7766      2.00000
     45       2.7933      2.00000
     46       2.8428      2.00000
     47       2.9853      2.00000
     48       3.0119      2.00000
     49       3.1189      2.00000
     50       3.1809      2.00000
     51       3.1904      2.00000
     52       3.3088      2.00000
     53       3.4602      2.00000
     54       3.6499      2.00000
     55       3.7039      2.00000
     56       3.8925      2.00000
     57       4.4393      2.00000
     58       4.9056      2.00000
     59       5.5454      2.00383
     60       5.8589      1.98810
     61       6.5106     -0.00298
     62       7.0432     -0.00000
     63       7.5280     -0.00000
     64       8.0738     -0.00000
     65       8.3208     -0.00000
     66       8.9254     -0.00000
     67       9.4043     -0.00000
     68       9.6725     -0.00000
     69      10.4680     -0.00000
     70      12.0104      0.00000
     71      12.3120      0.00000
     72      12.4016      0.00000
     73      12.5597      0.00000
     74      12.7280      0.00000
     75      12.8589      0.00000
     76      13.3276      0.00000
     77      13.6095      0.00000
     78      13.9245      0.00000
     79      14.0105      0.00000
     80      14.4249      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0272      2.00000
      9      -0.3847      2.00000
     10      -0.1334      2.00000
     11       0.3215      2.00000
     12       0.3990      2.00000
     13       0.4956      2.00000
     14       0.5334      2.00000
     15       0.6734      2.00000
     16       0.7805      2.00000
     17       0.8143      2.00000
     18       0.9330      2.00000
     19       0.9419      2.00000
     20       1.0270      2.00000
     21       1.0745      2.00000
     22       1.1649      2.00000
     23       1.2190      2.00000
     24       1.3076      2.00000
     25       1.3537      2.00000
     26       1.4131      2.00000
     27       1.4785      2.00000
     28       1.5485      2.00000
     29       1.6137      2.00000
     30       1.7530      2.00000
     31       1.8258      2.00000
     32       1.8877      2.00000
     33       1.9246      2.00000
     34       1.9894      2.00000
     35       2.0408      2.00000
     36       2.0834      2.00000
     37       2.1376      2.00000
     38       2.2156      2.00000
     39       2.3130      2.00000
     40       2.4659      2.00000
     41       2.5033      2.00000
     42       2.5654      2.00000
     43       2.6233      2.00000
     44       2.6841      2.00000
     45       2.7980      2.00000
     46       2.8250      2.00000
     47       2.8768      2.00000
     48       2.9253      2.00000
     49       2.9752      2.00000
     50       3.0856      2.00000
     51       3.1731      2.00000
     52       3.2502      2.00000
     53       3.2862      2.00000
     54       3.4724      2.00000
     55       3.6103      2.00000
     56       4.0096      2.00000
     57       4.4768      2.00000
     58       5.2614      2.00000
     59       5.6826      2.03730
     60       5.9047      1.82824
     61       6.2947     -0.06607
     62       6.5277     -0.00204
     63       6.7020     -0.00002
     64       7.4456     -0.00000
     65       7.6916     -0.00000
     66       8.1071     -0.00000
     67       9.1413     -0.00000
     68       9.8268     -0.00000
     69       9.9562     -0.00000
     70      10.1270     -0.00000
     71      11.1041     -0.00000
     72      11.1914     -0.00000
     73      11.7706      0.00000
     74      12.0766      0.00000
     75      12.4249      0.00000
     76      12.7756      0.00000
     77      13.2946      0.00000
     78      13.6763      0.00000
     79      14.0718      0.00000
     80      14.4189      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3899      2.00000
      9      -0.0864      2.00000
     10       0.0702      2.00000
     11       0.1461      2.00000
     12       0.4167      2.00000
     13       0.5183      2.00000
     14       0.6069      2.00000
     15       0.7152      2.00000
     16       0.8526      2.00000
     17       0.9054      2.00000
     18       0.9151      2.00000
     19       1.0965      2.00000
     20       1.1524      2.00000
     21       1.1841      2.00000
     22       1.2470      2.00000
     23       1.3162      2.00000
     24       1.4007      2.00000
     25       1.4617      2.00000
     26       1.4937      2.00000
     27       1.5975      2.00000
     28       1.6695      2.00000
     29       1.7125      2.00000
     30       1.7327      2.00000
     31       1.8373      2.00000
     32       1.8802      2.00000
     33       1.9612      2.00000
     34       1.9825      2.00000
     35       2.0737      2.00000
     36       2.1231      2.00000
     37       2.2354      2.00000
     38       2.3030      2.00000
     39       2.3499      2.00000
     40       2.3902      2.00000
     41       2.4579      2.00000
     42       2.5138      2.00000
     43       2.5283      2.00000
     44       2.6276      2.00000
     45       2.6933      2.00000
     46       2.7327      2.00000
     47       2.7958      2.00000
     48       2.8471      2.00000
     49       2.8742      2.00000
     50       3.0716      2.00000
     51       3.1431      2.00000
     52       3.2721      2.00000
     53       3.3286      2.00000
     54       3.4836      2.00000
     55       3.5907      2.00000
     56       3.7361      2.00000
     57       4.4160      2.00000
     58       4.7769      2.00000
     59       5.1288      2.00000
     60       5.6650      2.03000
     61       5.9479      1.58232
     62       6.2151     -0.04225
     63       6.5210     -0.00237
     64       6.7374     -0.00001
     65       7.7487     -0.00000
     66       8.0560     -0.00000
     67       8.5222     -0.00000
     68       9.3101     -0.00000
     69       9.7487     -0.00000
     70      10.1866     -0.00000
     71      10.8616     -0.00000
     72      10.9752     -0.00000
     73      11.3787     -0.00000
     74      11.5955      0.00000
     75      12.1348      0.00000
     76      12.4656      0.00000
     77      13.1252      0.00000
     78      13.4250      0.00000
     79      14.0234      0.00000
     80      14.2872      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4405      2.00000
      9      -0.1547      2.00000
     10      -0.0381      2.00000
     11       0.1373      2.00000
     12       0.5488      2.00000
     13       0.6667      2.00000
     14       0.7013      2.00000
     15       0.7305      2.00000
     16       0.7988      2.00000
     17       0.8849      2.00000
     18       0.9555      2.00000
     19       1.0843      2.00000
     20       1.1074      2.00000
     21       1.1384      2.00000
     22       1.2631      2.00000
     23       1.3370      2.00000
     24       1.3686      2.00000
     25       1.3920      2.00000
     26       1.5432      2.00000
     27       1.5855      2.00000
     28       1.6698      2.00000
     29       1.7165      2.00000
     30       1.7651      2.00000
     31       1.8168      2.00000
     32       1.8579      2.00000
     33       1.9626      2.00000
     34       2.0025      2.00000
     35       2.0941      2.00000
     36       2.1623      2.00000
     37       2.2419      2.00000
     38       2.3278      2.00000
     39       2.3408      2.00000
     40       2.4504      2.00000
     41       2.4701      2.00000
     42       2.4973      2.00000
     43       2.5226      2.00000
     44       2.5669      2.00000
     45       2.5826      2.00000
     46       2.7251      2.00000
     47       2.7602      2.00000
     48       2.8151      2.00000
     49       2.8838      2.00000
     50       3.1286      2.00000
     51       3.1645      2.00000
     52       3.2901      2.00000
     53       3.5124      2.00000
     54       3.5751      2.00000
     55       3.6485      2.00000
     56       4.0723      2.00000
     57       4.4122      2.00000
     58       4.5186      2.00000
     59       5.0111      2.00000
     60       5.1510      2.00000
     61       5.8183      2.05400
     62       6.1446      0.14901
     63       6.5120     -0.00289
     64       7.1587     -0.00000
     65       7.2620     -0.00000
     66       7.7703     -0.00000
     67       8.3306     -0.00000
     68       9.5541     -0.00000
     69       9.9875     -0.00000
     70      10.5846     -0.00000
     71      11.0070     -0.00000
     72      11.2615     -0.00000
     73      11.8004      0.00000
     74      12.0384      0.00000
     75      12.2646      0.00000
     76      12.8804      0.00000
     77      13.1473      0.00000
     78      13.3208      0.00000
     79      14.1417      0.00000
     80      14.3323      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6501      2.00000
      5     -39.6501      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.2075      2.00000
      9      -0.3441      2.00000
     10      -0.0765      2.00000
     11       0.1069      2.00000
     12       0.5495      2.00000
     13       0.5741      2.00000
     14       0.6382      2.00000
     15       0.7144      2.00000
     16       0.8458      2.00000
     17       0.8781      2.00000
     18       0.9460      2.00000
     19       1.0074      2.00000
     20       1.0845      2.00000
     21       1.1129      2.00000
     22       1.1746      2.00000
     23       1.2459      2.00000
     24       1.2638      2.00000
     25       1.3222      2.00000
     26       1.3872      2.00000
     27       1.3945      2.00000
     28       1.5514      2.00000
     29       1.6766      2.00000
     30       1.7014      2.00000
     31       1.8150      2.00000
     32       1.8859      2.00000
     33       1.9315      2.00000
     34       2.0071      2.00000
     35       2.0216      2.00000
     36       2.0570      2.00000
     37       2.1616      2.00000
     38       2.2065      2.00000
     39       2.3999      2.00000
     40       2.4408      2.00000
     41       2.4945      2.00000
     42       2.5420      2.00000
     43       2.6173      2.00000
     44       2.6624      2.00000
     45       2.7709      2.00000
     46       2.8569      2.00000
     47       2.8866      2.00000
     48       2.9238      2.00000
     49       3.0240      2.00000
     50       3.0570      2.00000
     51       3.1056      2.00000
     52       3.1927      2.00000
     53       3.2862      2.00000
     54       3.5301      2.00000
     55       3.6551      2.00000
     56       4.0058      2.00000
     57       4.3380      2.00000
     58       5.3273      2.00001
     59       5.4795      2.00085
     60       5.6707      2.03227
     61       5.8441      2.01920
     62       6.6377     -0.00012
     63       6.9589     -0.00000
     64       7.4566     -0.00000
     65       7.8347     -0.00000
     66       7.9008     -0.00000
     67       8.4606     -0.00000
     68       9.7096     -0.00000
     69       9.9923     -0.00000
     70      10.4232     -0.00000
     71      11.7548      0.00000
     72      12.2521      0.00000
     73      12.5610      0.00000
     74      12.8905      0.00000
     75      13.0921      0.00000
     76      13.3952      0.00000
     77      13.4610      0.00000
     78      13.5482      0.00000
     79      13.8873      0.00000
     80      14.1110      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.7435      2.00000
      9      -0.6694      2.00000
     10       0.0131      2.00000
     11       0.2331      2.00000
     12       0.3195      2.00000
     13       0.3422      2.00000
     14       0.4040      2.00000
     15       0.6279      2.00000
     16       0.6411      2.00000
     17       0.7201      2.00000
     18       0.8127      2.00000
     19       0.8782      2.00000
     20       0.9585      2.00000
     21       1.0204      2.00000
     22       1.0873      2.00000
     23       1.1541      2.00000
     24       1.2302      2.00000
     25       1.2619      2.00000
     26       1.3357      2.00000
     27       1.4016      2.00000
     28       1.4408      2.00000
     29       1.6062      2.00000
     30       1.6817      2.00000
     31       1.7249      2.00000
     32       1.8250      2.00000
     33       1.8781      2.00000
     34       1.9578      2.00000
     35       2.1323      2.00000
     36       2.1958      2.00000
     37       2.2577      2.00000
     38       2.3110      2.00000
     39       2.3998      2.00000
     40       2.5157      2.00000
     41       2.5397      2.00000
     42       2.6123      2.00000
     43       2.7238      2.00000
     44       2.7616      2.00000
     45       2.8042      2.00000
     46       2.8859      2.00000
     47       2.9670      2.00000
     48       2.9993      2.00000
     49       3.1213      2.00000
     50       3.1610      2.00000
     51       3.2125      2.00000
     52       3.2900      2.00000
     53       3.4364      2.00000
     54       3.6331      2.00000
     55       3.7827      2.00000
     56       3.9545      2.00000
     57       4.1597      2.00000
     58       4.5121      2.00000
     59       5.2804      2.00000
     60       6.0603      0.68338
     61       6.5871     -0.00048
     62       6.9967     -0.00000
     63       7.7992     -0.00000
     64       8.0754     -0.00000
     65       8.3387     -0.00000
     66       8.7240     -0.00000
     67       9.6877     -0.00000
     68      10.4601     -0.00000
     69      10.9157     -0.00000
     70      11.0354     -0.00000
     71      11.3121     -0.00000
     72      12.5106      0.00000
     73      12.8879      0.00000
     74      13.0412      0.00000
     75      13.1704      0.00000
     76      13.5077      0.00000
     77      13.5951      0.00000
     78      13.9483      0.00000
     79      14.3578      0.00000
     80      14.4850      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.8565      2.00000
      9      -0.9324      2.00000
     10       0.0397      2.00000
     11       0.1702      2.00000
     12       0.2058      2.00000
     13       0.2891      2.00000
     14       0.4222      2.00000
     15       0.5946      2.00000
     16       0.6124      2.00000
     17       0.6234      2.00000
     18       0.6910      2.00000
     19       0.7233      2.00000
     20       0.8429      2.00000
     21       0.9499      2.00000
     22       1.0883      2.00000
     23       1.1043      2.00000
     24       1.2019      2.00000
     25       1.2712      2.00000
     26       1.3537      2.00000
     27       1.3679      2.00000
     28       1.5520      2.00000
     29       1.6516      2.00000
     30       1.6935      2.00000
     31       1.7108      2.00000
     32       1.8016      2.00000
     33       1.8681      2.00000
     34       1.8982      2.00000
     35       2.1259      2.00000
     36       2.2192      2.00000
     37       2.2551      2.00000
     38       2.3878      2.00000
     39       2.4354      2.00000
     40       2.5285      2.00000
     41       2.5925      2.00000
     42       2.6229      2.00000
     43       2.6805      2.00000
     44       2.8492      2.00000
     45       2.8716      2.00000
     46       2.9868      2.00000
     47       3.0499      2.00000
     48       3.0572      2.00000
     49       3.1300      2.00000
     50       3.1911      2.00000
     51       3.2787      2.00000
     52       3.3170      2.00000
     53       3.5436      2.00000
     54       3.6507      2.00000
     55       3.9209      2.00000
     56       3.9431      2.00000
     57       4.2200      2.00000
     58       4.4101      2.00000
     59       5.0056      2.00000
     60       5.6030      2.01161
     61       6.2269     -0.05485
     62       7.7518     -0.00000
     63       8.1818     -0.00000
     64       8.6205     -0.00000
     65       8.6469     -0.00000
     66       9.7815     -0.00000
     67      10.3989     -0.00000
     68      10.6016     -0.00000
     69      10.8156     -0.00000
     70      11.2562     -0.00000
     71      11.7479      0.00000
     72      12.4756      0.00000
     73      12.7372      0.00000
     74      12.8344      0.00000
     75      13.1485      0.00000
     76      13.2544      0.00000
     77      13.6989      0.00000
     78      14.4318      0.00000
     79      14.4958      0.00000
     80      14.5604      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6550      2.00000
      9      -0.6511      2.00000
     10      -0.2062      2.00000
     11       0.2455      2.00000
     12       0.2919      2.00000
     13       0.4351      2.00000
     14       0.4394      2.00000
     15       0.5903      2.00000
     16       0.6335      2.00000
     17       0.7264      2.00000
     18       0.7823      2.00000
     19       0.8757      2.00000
     20       0.9396      2.00000
     21       0.9849      2.00000
     22       1.0818      2.00000
     23       1.1452      2.00000
     24       1.1793      2.00000
     25       1.2545      2.00000
     26       1.3651      2.00000
     27       1.3780      2.00000
     28       1.4963      2.00000
     29       1.6236      2.00000
     30       1.6469      2.00000
     31       1.7455      2.00000
     32       1.8779      2.00000
     33       1.8983      2.00000
     34       1.9996      2.00000
     35       2.0809      2.00000
     36       2.1806      2.00000
     37       2.2408      2.00000
     38       2.3220      2.00000
     39       2.4042      2.00000
     40       2.4764      2.00000
     41       2.5679      2.00000
     42       2.6349      2.00000
     43       2.7243      2.00000
     44       2.7667      2.00000
     45       2.8230      2.00000
     46       2.8550      2.00000
     47       2.9338      2.00000
     48       3.0237      2.00000
     49       3.0827      2.00000
     50       3.1436      2.00000
     51       3.2296      2.00000
     52       3.2610      2.00000
     53       3.5491      2.00000
     54       3.6746      2.00000
     55       3.7454      2.00000
     56       3.8153      2.00000
     57       4.1018      2.00000
     58       4.9411      2.00000
     59       5.0823      2.00000
     60       5.8274      2.04432
     61       6.8127     -0.00000
     62       7.1868     -0.00000
     63       7.7771     -0.00000
     64       8.6897     -0.00000
     65       8.9476     -0.00000
     66       9.1328     -0.00000
     67       9.4614     -0.00000
     68       9.6260     -0.00000
     69       9.7949     -0.00000
     70      10.9410     -0.00000
     71      11.5704      0.00000
     72      12.1392      0.00000
     73      12.3335      0.00000
     74      12.4834      0.00000
     75      13.1662      0.00000
     76      13.3067      0.00000
     77      13.6988      0.00000
     78      14.0868      0.00000
     79      14.4053      0.00000
     80      14.5409      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0744      2.00000
      9      -0.2666      2.00000
     10      -0.2095      2.00000
     11       0.2627      2.00000
     12       0.4273      2.00000
     13       0.5248      2.00000
     14       0.5600      2.00000
     15       0.6805      2.00000
     16       0.7911      2.00000
     17       0.8369      2.00000
     18       0.9142      2.00000
     19       1.0050      2.00000
     20       1.0947      2.00000
     21       1.1029      2.00000
     22       1.1493      2.00000
     23       1.2012      2.00000
     24       1.2321      2.00000
     25       1.2793      2.00000
     26       1.3603      2.00000
     27       1.4967      2.00000
     28       1.5828      2.00000
     29       1.6381      2.00000
     30       1.6651      2.00000
     31       1.8222      2.00000
     32       1.8415      2.00000
     33       1.9990      2.00000
     34       2.0068      2.00000
     35       2.0681      2.00000
     36       2.1723      2.00000
     37       2.2076      2.00000
     38       2.2481      2.00000
     39       2.3003      2.00000
     40       2.3751      2.00000
     41       2.5106      2.00000
     42       2.6308      2.00000
     43       2.6584      2.00000
     44       2.7227      2.00000
     45       2.7631      2.00000
     46       2.8060      2.00000
     47       2.8411      2.00000
     48       2.9345      2.00000
     49       2.9559      2.00000
     50       3.0979      2.00000
     51       3.1224      2.00000
     52       3.2115      2.00000
     53       3.4153      2.00000
     54       3.4980      2.00000
     55       3.5883      2.00000
     56       3.6891      2.00000
     57       4.4268      2.00000
     58       4.7996      2.00000
     59       5.4354      2.00027
     60       5.9963      1.21637
     61       6.6085     -0.00027
     62       6.9463     -0.00000
     63       7.0358     -0.00000
     64       7.3351     -0.00000
     65       8.2639     -0.00000
     66       8.5069     -0.00000
     67       8.8299     -0.00000
     68       9.3442     -0.00000
     69       9.9768     -0.00000
     70      10.1842     -0.00000
     71      10.3308     -0.00000
     72      11.0840     -0.00000
     73      11.7800      0.00000
     74      12.1387      0.00000
     75      12.3111      0.00000
     76      12.9753      0.00000
     77      13.7752      0.00000
     78      13.8262      0.00000
     79      14.0910      0.00000
     80      14.2260      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3645      2.00000
      9      -0.1417      2.00000
     10       0.0806      2.00000
     11       0.1480      2.00000
     12       0.4585      2.00000
     13       0.5659      2.00000
     14       0.6385      2.00000
     15       0.6897      2.00000
     16       0.7365      2.00000
     17       0.8940      2.00000
     18       0.9494      2.00000
     19       1.0663      2.00000
     20       1.1492      2.00000
     21       1.1806      2.00000
     22       1.2185      2.00000
     23       1.3251      2.00000
     24       1.3807      2.00000
     25       1.4733      2.00000
     26       1.5371      2.00000
     27       1.5673      2.00000
     28       1.6373      2.00000
     29       1.7155      2.00000
     30       1.7842      2.00000
     31       1.8501      2.00000
     32       1.9097      2.00000
     33       1.9437      2.00000
     34       2.0909      2.00000
     35       2.1497      2.00000
     36       2.1565      2.00000
     37       2.2526      2.00000
     38       2.2641      2.00000
     39       2.3366      2.00000
     40       2.3768      2.00000
     41       2.4200      2.00000
     42       2.5142      2.00000
     43       2.5643      2.00000
     44       2.5983      2.00000
     45       2.6180      2.00000
     46       2.6906      2.00000
     47       2.7757      2.00000
     48       2.7962      2.00000
     49       2.8799      2.00000
     50       3.0742      2.00000
     51       3.1325      2.00000
     52       3.1887      2.00000
     53       3.3687      2.00000
     54       3.5361      2.00000
     55       3.6303      2.00000
     56       3.8876      2.00000
     57       4.3718      2.00000
     58       4.7289      2.00000
     59       5.1024      2.00000
     60       5.6384      2.02062
     61       5.6937      2.04226
     62       6.1984     -0.01620
     63       6.6506     -0.00008
     64       7.0108     -0.00000
     65       7.5073     -0.00000
     66       7.8759     -0.00000
     67       8.9974     -0.00000
     68       9.6037     -0.00000
     69       9.8948     -0.00000
     70      10.0897     -0.00000
     71      10.4765     -0.00000
     72      10.7366     -0.00000
     73      11.0930     -0.00000
     74      11.6193      0.00000
     75      12.2519      0.00000
     76      12.9644      0.00000
     77      13.1809      0.00000
     78      13.9035      0.00000
     79      13.9212      0.00000
     80      14.0610      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4491      2.00000
      9      -0.1467      2.00000
     10      -0.0120      2.00000
     11       0.1321      2.00000
     12       0.5372      2.00000
     13       0.5759      2.00000
     14       0.6471      2.00000
     15       0.7576      2.00000
     16       0.8641      2.00000
     17       0.9535      2.00000
     18       1.0011      2.00000
     19       1.0532      2.00000
     20       1.1092      2.00000
     21       1.1694      2.00000
     22       1.2257      2.00000
     23       1.3168      2.00000
     24       1.3947      2.00000
     25       1.4741      2.00000
     26       1.5054      2.00000
     27       1.5501      2.00000
     28       1.6013      2.00000
     29       1.7169      2.00000
     30       1.7574      2.00000
     31       1.7967      2.00000
     32       1.8990      2.00000
     33       1.9600      2.00000
     34       1.9722      2.00000
     35       2.0564      2.00000
     36       2.1821      2.00000
     37       2.1938      2.00000
     38       2.2904      2.00000
     39       2.3311      2.00000
     40       2.3586      2.00000
     41       2.4782      2.00000
     42       2.4985      2.00000
     43       2.5880      2.00000
     44       2.6182      2.00000
     45       2.6805      2.00000
     46       2.7722      2.00000
     47       2.8041      2.00000
     48       2.8166      2.00000
     49       2.9030      2.00000
     50       3.1256      2.00000
     51       3.1793      2.00000
     52       3.2341      2.00000
     53       3.5191      2.00000
     54       3.5750      2.00000
     55       3.6879      2.00000
     56       3.8819      2.00000
     57       4.4475      2.00000
     58       4.5849      2.00000
     59       4.9806      2.00000
     60       5.4271      2.00021
     61       5.7585      2.06856
     62       5.8254      2.04666
     63       6.7175     -0.00001
     64       6.9940     -0.00000
     65       7.2950     -0.00000
     66       7.5169     -0.00000
     67       9.0302     -0.00000
     68       9.4067     -0.00000
     69      10.1148     -0.00000
     70      10.5241     -0.00000
     71      10.8652     -0.00000
     72      11.2159     -0.00000
     73      11.4089     -0.00000
     74      11.6874      0.00000
     75      12.0229      0.00000
     76      12.6569      0.00000
     77      13.4657      0.00000
     78      13.5691      0.00000
     79      14.0996      0.00000
     80      14.1533      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5963      2.00000
      8      -1.1368      2.00000
      9      -0.5358      2.00000
     10       0.1063      2.00000
     11       0.1286      2.00000
     12       0.5085      2.00000
     13       0.5865      2.00000
     14       0.6531      2.00000
     15       0.6896      2.00000
     16       0.8002      2.00000
     17       0.8222      2.00000
     18       0.8468      2.00000
     19       0.9382      2.00000
     20       1.0971      2.00000
     21       1.1377      2.00000
     22       1.1786      2.00000
     23       1.2063      2.00000
     24       1.3215      2.00000
     25       1.3658      2.00000
     26       1.4049      2.00000
     27       1.4462      2.00000
     28       1.5138      2.00000
     29       1.5717      2.00000
     30       1.6937      2.00000
     31       1.7380      2.00000
     32       1.8777      2.00000
     33       1.9196      2.00000
     34       1.9743      2.00000
     35       2.1208      2.00000
     36       2.1664      2.00000
     37       2.2438      2.00000
     38       2.2884      2.00000
     39       2.3532      2.00000
     40       2.4274      2.00000
     41       2.5179      2.00000
     42       2.5733      2.00000
     43       2.6633      2.00000
     44       2.6963      2.00000
     45       2.7677      2.00000
     46       2.8106      2.00000
     47       2.8545      2.00000
     48       2.9128      2.00000
     49       2.9645      2.00000
     50       3.0821      2.00000
     51       3.1244      2.00000
     52       3.2101      2.00000
     53       3.3511      2.00000
     54       3.5142      2.00000
     55       3.7050      2.00000
     56       4.1260      2.00000
     57       4.6079      2.00000
     58       4.9843      2.00000
     59       5.3642      2.00003
     60       5.6904      2.04077
     61       6.0321      0.91520
     62       6.2224     -0.05059
     63       6.7050     -0.00002
     64       7.1802     -0.00000
     65       7.6251     -0.00000
     66       8.7463     -0.00000
     67       8.9096     -0.00000
     68       9.3609     -0.00000
     69      10.4080     -0.00000
     70      10.6138     -0.00000
     71      11.0210     -0.00000
     72      11.6287      0.00000
     73      12.2244      0.00000
     74      12.5044      0.00000
     75      12.8237      0.00000
     76      13.3606      0.00000
     77      13.5948      0.00000
     78      14.0817      0.00000
     79      14.2413      0.00000
     80      14.4840      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6583      2.00000
      9      -0.8888      2.00000
     10       0.1423      2.00000
     11       0.2613      2.00000
     12       0.3109      2.00000
     13       0.3229      2.00000
     14       0.3994      2.00000
     15       0.6237      2.00000
     16       0.6450      2.00000
     17       0.6666      2.00000
     18       0.7534      2.00000
     19       0.8560      2.00000
     20       0.9372      2.00000
     21       1.0585      2.00000
     22       1.1254      2.00000
     23       1.1814      2.00000
     24       1.2198      2.00000
     25       1.2766      2.00000
     26       1.3800      2.00000
     27       1.3940      2.00000
     28       1.4762      2.00000
     29       1.5938      2.00000
     30       1.6924      2.00000
     31       1.7421      2.00000
     32       1.8468      2.00000
     33       1.8547      2.00000
     34       2.0337      2.00000
     35       2.1594      2.00000
     36       2.1936      2.00000
     37       2.2338      2.00000
     38       2.2654      2.00000
     39       2.3719      2.00000
     40       2.4457      2.00000
     41       2.5171      2.00000
     42       2.6259      2.00000
     43       2.6571      2.00000
     44       2.7821      2.00000
     45       2.8311      2.00000
     46       2.8792      2.00000
     47       2.9559      2.00000
     48       2.9888      2.00000
     49       3.1173      2.00000
     50       3.1897      2.00000
     51       3.2105      2.00000
     52       3.2971      2.00000
     53       3.4808      2.00000
     54       3.7195      2.00000
     55       3.9425      2.00000
     56       3.9666      2.00000
     57       4.1999      2.00000
     58       4.6031      2.00000
     59       5.0589      2.00000
     60       5.6541      2.02589
     61       6.7462     -0.00000
     62       7.3442     -0.00000
     63       7.6679     -0.00000
     64       8.2685     -0.00000
     65       8.4772     -0.00000
     66       8.5697     -0.00000
     67       9.0115     -0.00000
     68       9.2310     -0.00000
     69      11.3402     -0.00000
     70      12.1321      0.00000
     71      12.4236      0.00000
     72      12.6623      0.00000
     73      12.8406      0.00000
     74      13.1017      0.00000
     75      13.2902      0.00000
     76      13.5506      0.00000
     77      13.7151      0.00000
     78      13.7853      0.00000
     79      13.8926      0.00000
     80      14.0693      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6500      2.00000
      6     -39.6081      2.00000
      7     -39.5933      2.00000
      8      -1.6608      2.00000
      9      -0.7754      2.00000
     10      -0.6006      2.00000
     11       0.0767      2.00000
     12       0.2630      2.00000
     13       0.3781      2.00000
     14       0.3916      2.00000
     15       0.5510      2.00000
     16       0.6312      2.00000
     17       0.7416      2.00000
     18       0.7424      2.00000
     19       0.8366      2.00000
     20       0.8906      2.00000
     21       0.9244      2.00000
     22       1.0492      2.00000
     23       1.1049      2.00000
     24       1.1351      2.00000
     25       1.2361      2.00000
     26       1.3267      2.00000
     27       1.3568      2.00000
     28       1.4891      2.00000
     29       1.6065      2.00000
     30       1.6180      2.00000
     31       1.7834      2.00000
     32       1.9055      2.00000
     33       1.9076      2.00000
     34       2.0938      2.00000
     35       2.1488      2.00000
     36       2.2271      2.00000
     37       2.3517      2.00000
     38       2.4412      2.00000
     39       2.4665      2.00000
     40       2.4732      2.00000
     41       2.5428      2.00000
     42       2.6206      2.00000
     43       2.6822      2.00000
     44       2.6890      2.00000
     45       2.8180      2.00000
     46       2.8744      2.00000
     47       2.9574      2.00000
     48       2.9807      2.00000
     49       3.1541      2.00000
     50       3.2339      2.00000
     51       3.3208      2.00000
     52       3.3415      2.00000
     53       3.4442      2.00000
     54       3.5355      2.00000
     55       3.7194      2.00000
     56       3.7536      2.00000
     57       3.9924      2.00000
     58       4.2043      2.00000
     59       5.8172      2.05500
     60       7.2664     -0.00000
     61       7.4262     -0.00000
     62       7.4651     -0.00000
     63       7.7589     -0.00000
     64       8.2395     -0.00000
     65       8.7284     -0.00000
     66       9.2675     -0.00000
     67       9.8861     -0.00000
     68      10.4852     -0.00000
     69      10.6616     -0.00000
     70      11.2233     -0.00000
     71      11.2674     -0.00000
     72      11.4349     -0.00000
     73      12.4133      0.00000
     74      12.9905      0.00000
     75      13.1512      0.00000
     76      13.1925      0.00000
     77      13.4198      0.00000
     78      13.8934      0.00000
     79      13.9090      0.00000
     80      14.5994      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3929      2.00000
      9      -0.7684      2.00000
     10      -0.4081      2.00000
     11       0.1167      2.00000
     12       0.1922      2.00000
     13       0.4729      2.00000
     14       0.5390      2.00000
     15       0.6267      2.00000
     16       0.6442      2.00000
     17       0.7465      2.00000
     18       0.7609      2.00000
     19       0.9201      2.00000
     20       0.9587      2.00000
     21       0.9928      2.00000
     22       0.9988      2.00000
     23       1.1042      2.00000
     24       1.1689      2.00000
     25       1.1919      2.00000
     26       1.3343      2.00000
     27       1.3563      2.00000
     28       1.5608      2.00000
     29       1.6178      2.00000
     30       1.7315      2.00000
     31       1.7697      2.00000
     32       1.8300      2.00000
     33       1.9654      2.00000
     34       2.0214      2.00000
     35       2.0514      2.00000
     36       2.1512      2.00000
     37       2.2815      2.00000
     38       2.2819      2.00000
     39       2.3635      2.00000
     40       2.5182      2.00000
     41       2.5572      2.00000
     42       2.6474      2.00000
     43       2.7104      2.00000
     44       2.7447      2.00000
     45       2.8013      2.00000
     46       2.8964      2.00000
     47       2.9248      2.00000
     48       3.0150      2.00000
     49       3.1091      2.00000
     50       3.1600      2.00000
     51       3.2238      2.00000
     52       3.3518      2.00000
     53       3.3746      2.00000
     54       3.5685      2.00000
     55       3.7869      2.00000
     56       3.8451      2.00000
     57       3.9905      2.00000
     58       4.2337      2.00000
     59       6.2169     -0.04443
     60       6.5085     -0.00312
     61       7.3911     -0.00000
     62       7.7820     -0.00000
     63       7.8913     -0.00000
     64       8.3547     -0.00000
     65       8.5606     -0.00000
     66       8.8129     -0.00000
     67       8.8401     -0.00000
     68       9.6470     -0.00000
     69      10.2141     -0.00000
     70      10.6350     -0.00000
     71      10.7756     -0.00000
     72      11.1170     -0.00000
     73      11.9509      0.00000
     74      12.3035      0.00000
     75      12.6593      0.00000
     76      13.1728      0.00000
     77      13.6214      0.00000
     78      13.9403      0.00000
     79      14.2789      0.00000
     80      14.6697      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9118      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.9056      2.00000
      9      -0.3801      2.00000
     10      -0.0386      2.00000
     11       0.0627      2.00000
     12       0.4453      2.00000
     13       0.4978      2.00000
     14       0.5996      2.00000
     15       0.6964      2.00000
     16       0.7565      2.00000
     17       0.7606      2.00000
     18       0.8280      2.00000
     19       0.8899      2.00000
     20       1.0037      2.00000
     21       1.0395      2.00000
     22       1.1606      2.00000
     23       1.2390      2.00000
     24       1.2923      2.00000
     25       1.3798      2.00000
     26       1.4200      2.00000
     27       1.4954      2.00000
     28       1.6141      2.00000
     29       1.6594      2.00000
     30       1.7191      2.00000
     31       1.7902      2.00000
     32       1.8407      2.00000
     33       1.9271      2.00000
     34       1.9826      2.00000
     35       2.0329      2.00000
     36       2.0750      2.00000
     37       2.2204      2.00000
     38       2.2565      2.00000
     39       2.2913      2.00000
     40       2.4075      2.00000
     41       2.5563      2.00000
     42       2.6261      2.00000
     43       2.6380      2.00000
     44       2.7119      2.00000
     45       2.7423      2.00000
     46       2.8359      2.00000
     47       2.8713      2.00000
     48       2.9080      2.00000
     49       2.9379      2.00000
     50       3.0373      2.00000
     51       3.1375      2.00000
     52       3.3082      2.00000
     53       3.3439      2.00000
     54       3.4904      2.00000
     55       3.5740      2.00000
     56       3.7546      2.00000
     57       4.4185      2.00000
     58       5.2237      2.00000
     59       5.2928      2.00000
     60       5.9577      1.51493
     61       7.0590     -0.00000
     62       7.1897     -0.00000
     63       7.3423     -0.00000
     64       7.4466     -0.00000
     65       8.1670     -0.00000
     66       8.4094     -0.00000
     67       8.6239     -0.00000
     68       9.0600     -0.00000
     69       9.3326     -0.00000
     70       9.8320     -0.00000
     71      10.7694     -0.00000
     72      10.9776     -0.00000
     73      11.2777     -0.00000
     74      11.6062      0.00000
     75      12.5192      0.00000
     76      13.0974      0.00000
     77      13.4178      0.00000
     78      13.6737      0.00000
     79      13.9125      0.00000
     80      14.1275      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6500      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3885      2.00000
      9      -0.0741      2.00000
     10       0.1036      2.00000
     11       0.1594      2.00000
     12       0.4588      2.00000
     13       0.4950      2.00000
     14       0.5538      2.00000
     15       0.6756      2.00000
     16       0.7854      2.00000
     17       0.9124      2.00000
     18       0.9444      2.00000
     19       1.1148      2.00000
     20       1.1692      2.00000
     21       1.2179      2.00000
     22       1.2398      2.00000
     23       1.3319      2.00000
     24       1.4140      2.00000
     25       1.4431      2.00000
     26       1.4886      2.00000
     27       1.5639      2.00000
     28       1.6232      2.00000
     29       1.6637      2.00000
     30       1.7207      2.00000
     31       1.8310      2.00000
     32       1.9152      2.00000
     33       1.9644      2.00000
     34       2.0362      2.00000
     35       2.1093      2.00000
     36       2.1223      2.00000
     37       2.2035      2.00000
     38       2.3013      2.00000
     39       2.3150      2.00000
     40       2.3581      2.00000
     41       2.4706      2.00000
     42       2.5324      2.00000
     43       2.5566      2.00000
     44       2.6296      2.00000
     45       2.7006      2.00000
     46       2.7413      2.00000
     47       2.8176      2.00000
     48       2.8396      2.00000
     49       2.9533      2.00000
     50       3.0757      2.00000
     51       3.1850      2.00000
     52       3.2877      2.00000
     53       3.3446      2.00000
     54       3.4720      2.00000
     55       3.5918      2.00000
     56       3.7910      2.00000
     57       4.0920      2.00000
     58       4.3003      2.00000
     59       5.4731      2.00072
     60       5.8621      1.98023
     61       6.0256      0.97018
     62       6.3399     -0.04717
     63       6.7290     -0.00001
     64       7.1293     -0.00000
     65       7.6092     -0.00000
     66       8.0727     -0.00000
     67       8.3377     -0.00000
     68       8.9254     -0.00000
     69       9.4400     -0.00000
     70      10.2392     -0.00000
     71      10.4220     -0.00000
     72      10.5688     -0.00000
     73      11.3193     -0.00000
     74      11.8311      0.00000
     75      12.1686      0.00000
     76      12.9438      0.00000
     77      13.0188      0.00000
     78      13.6874      0.00000
     79      14.0022      0.00000
     80      14.6445      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6500      2.00000
      5     -39.6500      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4446      2.00000
      9      -0.1474      2.00000
     10       0.0498      2.00000
     11       0.1350      2.00000
     12       0.4990      2.00000
     13       0.5339      2.00000
     14       0.6340      2.00000
     15       0.7166      2.00000
     16       0.8990      2.00000
     17       0.9235      2.00000
     18       1.0371      2.00000
     19       1.0783      2.00000
     20       1.1386      2.00000
     21       1.1834      2.00000
     22       1.2563      2.00000
     23       1.2986      2.00000
     24       1.3939      2.00000
     25       1.4157      2.00000
     26       1.4609      2.00000
     27       1.5088      2.00000
     28       1.6615      2.00000
     29       1.6995      2.00000
     30       1.7447      2.00000
     31       1.7979      2.00000
     32       1.8758      2.00000
     33       1.9160      2.00000
     34       2.0089      2.00000
     35       2.0809      2.00000
     36       2.1881      2.00000
     37       2.2140      2.00000
     38       2.2858      2.00000
     39       2.3530      2.00000
     40       2.3728      2.00000
     41       2.4530      2.00000
     42       2.5076      2.00000
     43       2.5554      2.00000
     44       2.6575      2.00000
     45       2.6928      2.00000
     46       2.7447      2.00000
     47       2.8154      2.00000
     48       2.8858      2.00000
     49       2.9089      2.00000
     50       3.1135      2.00000
     51       3.1679      2.00000
     52       3.2547      2.00000
     53       3.4796      2.00000
     54       3.5671      2.00000
     55       3.6054      2.00000
     56       3.9003      2.00000
     57       4.3452      2.00000
     58       4.8636      2.00000
     59       5.0054      2.00000
     60       5.2105      2.00000
     61       5.6175      2.01484
     62       5.8137      2.05792
     63       6.7229     -0.00001
     64       7.1841     -0.00000
     65       7.6975     -0.00000
     66       7.8825     -0.00000
     67       8.7094     -0.00000
     68       9.5008     -0.00000
     69       9.9587     -0.00000
     70      10.1307     -0.00000
     71      10.4752     -0.00000
     72      10.5938     -0.00000
     73      11.1491     -0.00000
     74      11.8198      0.00000
     75      12.2388      0.00000
     76      12.7501      0.00000
     77      13.5936      0.00000
     78      14.0703      0.00000
     79      14.3252      0.00000
     80      14.4722      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0785      2.00000
      9      -0.3672      2.00000
     10      -0.1140      2.00000
     11       0.2734      2.00000
     12       0.4393      2.00000
     13       0.5124      2.00000
     14       0.5452      2.00000
     15       0.6830      2.00000
     16       0.7869      2.00000
     17       0.8433      2.00000
     18       0.9207      2.00000
     19       0.9519      2.00000
     20       1.0528      2.00000
     21       1.0856      2.00000
     22       1.1737      2.00000
     23       1.2218      2.00000
     24       1.2711      2.00000
     25       1.3249      2.00000
     26       1.4161      2.00000
     27       1.4566      2.00000
     28       1.5530      2.00000
     29       1.6118      2.00000
     30       1.7733      2.00000
     31       1.8222      2.00000
     32       1.8477      2.00000
     33       1.9682      2.00000
     34       1.9984      2.00000
     35       2.0551      2.00000
     36       2.1081      2.00000
     37       2.1361      2.00000
     38       2.2097      2.00000
     39       2.3326      2.00000
     40       2.4314      2.00000
     41       2.4727      2.00000
     42       2.6078      2.00000
     43       2.6531      2.00000
     44       2.6856      2.00000
     45       2.7906      2.00000
     46       2.8210      2.00000
     47       2.8749      2.00000
     48       2.9272      2.00000
     49       2.9796      2.00000
     50       3.0857      2.00000
     51       3.1324      2.00000
     52       3.2411      2.00000
     53       3.3233      2.00000
     54       3.4537      2.00000
     55       3.6287      2.00000
     56       4.0786      2.00000
     57       4.2802      2.00000
     58       5.1867      2.00000
     59       5.7528      2.06706
     60       5.9296      1.69759
     61       6.1183      0.28080
     62       6.5437     -0.00141
     63       6.7824     -0.00000
     64       7.2744     -0.00000
     65       7.6616     -0.00000
     66       8.3398     -0.00000
     67       9.3857     -0.00000
     68       9.5349     -0.00000
     69       9.9907     -0.00000
     70      10.1801     -0.00000
     71      11.3461     -0.00000
     72      11.5033      0.00000
     73      11.7749      0.00000
     74      11.9588      0.00000
     75      12.2887      0.00000
     76      12.7741      0.00000
     77      13.3621      0.00000
     78      13.6902      0.00000
     79      13.8370      0.00000
     80      14.2128      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.5553      2.00000
      9      -0.5518      2.00000
     10      -0.4633      2.00000
     11       0.2101      2.00000
     12       0.2354      2.00000
     13       0.4736      2.00000
     14       0.5257      2.00000
     15       0.5956      2.00000
     16       0.6342      2.00000
     17       0.6735      2.00000
     18       0.7982      2.00000
     19       0.9039      2.00000
     20       0.9489      2.00000
     21       0.9901      2.00000
     22       1.0160      2.00000
     23       1.1220      2.00000
     24       1.1631      2.00000
     25       1.2219      2.00000
     26       1.3892      2.00000
     27       1.4351      2.00000
     28       1.4886      2.00000
     29       1.5986      2.00000
     30       1.6428      2.00000
     31       1.7293      2.00000
     32       1.8725      2.00000
     33       1.8896      2.00000
     34       2.0177      2.00000
     35       2.1089      2.00000
     36       2.2072      2.00000
     37       2.2699      2.00000
     38       2.3471      2.00000
     39       2.3731      2.00000
     40       2.4421      2.00000
     41       2.5888      2.00000
     42       2.6796      2.00000
     43       2.7072      2.00000
     44       2.7392      2.00000
     45       2.8438      2.00000
     46       2.8684      2.00000
     47       2.8960      2.00000
     48       3.0588      2.00000
     49       3.0941      2.00000
     50       3.1705      2.00000
     51       3.2308      2.00000
     52       3.2368      2.00000
     53       3.5348      2.00000
     54       3.6193      2.00000
     55       3.6555      2.00000
     56       3.8526      2.00000
     57       3.9802      2.00000
     58       4.4863      2.00000
     59       5.6789      2.03572
     60       6.3685     -0.03435
     61       6.7105     -0.00001
     62       7.5107     -0.00000
     63       7.9732     -0.00000
     64       8.6876     -0.00000
     65       8.8847     -0.00000
     66       9.2155     -0.00000
     67       9.3787     -0.00000
     68       9.4753     -0.00000
     69       9.7967     -0.00000
     70      10.5247     -0.00000
     71      11.1895     -0.00000
     72      11.5486      0.00000
     73      12.0665      0.00000
     74      12.2502      0.00000
     75      13.0228      0.00000
     76      13.2542      0.00000
     77      13.2989      0.00000
     78      13.8614      0.00000
     79      14.5969      0.00000
     80      14.6844      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6499      2.00000
      6     -39.6081      2.00000
      7     -39.5933      2.00000
      8      -1.6117      2.00000
      9      -0.8249      2.00000
     10      -0.5688      2.00000
     11       0.0747      2.00000
     12       0.1500      2.00000
     13       0.3626      2.00000
     14       0.3918      2.00000
     15       0.5507      2.00000
     16       0.6425      2.00000
     17       0.7663      2.00000
     18       0.7905      2.00000
     19       0.8731      2.00000
     20       0.8773      2.00000
     21       0.9214      2.00000
     22       1.0181      2.00000
     23       1.0322      2.00000
     24       1.0777      2.00000
     25       1.2558      2.00000
     26       1.3112      2.00000
     27       1.3801      2.00000
     28       1.4810      2.00000
     29       1.6273      2.00000
     30       1.6750      2.00000
     31       1.7622      2.00000
     32       1.8390      2.00000
     33       1.9590      2.00000
     34       2.0164      2.00000
     35       2.1734      2.00000
     36       2.2054      2.00000
     37       2.3323      2.00000
     38       2.4297      2.00000
     39       2.4668      2.00000
     40       2.4727      2.00000
     41       2.5163      2.00000
     42       2.6322      2.00000
     43       2.6400      2.00000
     44       2.6607      2.00000
     45       2.8319      2.00000
     46       2.8425      2.00000
     47       2.9530      2.00000
     48       2.9551      2.00000
     49       2.9853      2.00000
     50       3.1961      2.00000
     51       3.2568      2.00000
     52       3.4602      2.00000
     53       3.5543      2.00000
     54       3.6581      2.00000
     55       3.9693      2.00000
     56       4.0695      2.00000
     57       4.2167      2.00000
     58       4.6012      2.00000
     59       5.8702      1.95782
     60       6.1259      0.23912
     61       6.6499     -0.00008
     62       7.3675     -0.00000
     63       8.0076     -0.00000
     64       8.2553     -0.00000
     65       8.6589     -0.00000
     66       9.1164     -0.00000
     67       9.1720     -0.00000
     68      10.9140     -0.00000
     69      11.4461     -0.00000
     70      11.6381      0.00000
     71      11.9488      0.00000
     72      12.3470      0.00000
     73      12.6330      0.00000
     74      13.1719      0.00000
     75      13.2145      0.00000
     76      13.3672      0.00000
     77      13.4052      0.00000
     78      13.8360      0.00000
     79      13.8609      0.00000
     80      14.0951      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6499      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3561      2.00000
      9      -0.6613      2.00000
     10      -0.5395      2.00000
     11       0.0552      2.00000
     12       0.1884      2.00000
     13       0.4686      2.00000
     14       0.5581      2.00000
     15       0.6243      2.00000
     16       0.6375      2.00000
     17       0.7505      2.00000
     18       0.7928      2.00000
     19       0.9140      2.00000
     20       0.9261      2.00000
     21       0.9537      2.00000
     22       0.9848      2.00000
     23       1.1007      2.00000
     24       1.1272      2.00000
     25       1.1810      2.00000
     26       1.3731      2.00000
     27       1.4336      2.00000
     28       1.6010      2.00000
     29       1.6169      2.00000
     30       1.6817      2.00000
     31       1.7248      2.00000
     32       1.7761      2.00000
     33       1.9370      2.00000
     34       2.0224      2.00000
     35       2.0802      2.00000
     36       2.1933      2.00000
     37       2.2151      2.00000
     38       2.2838      2.00000
     39       2.4596      2.00000
     40       2.4831      2.00000
     41       2.5402      2.00000
     42       2.6433      2.00000
     43       2.6867      2.00000
     44       2.7313      2.00000
     45       2.7524      2.00000
     46       2.8487      2.00000
     47       2.8912      2.00000
     48       2.9900      2.00000
     49       3.0698      2.00000
     50       3.1443      2.00000
     51       3.1666      2.00000
     52       3.3206      2.00000
     53       3.4433      2.00000
     54       3.5254      2.00000
     55       3.7686      2.00000
     56       3.8997      2.00000
     57       5.0251      2.00000
     58       5.1338      2.00000
     59       5.6140      2.01400
     60       6.0416      0.83600
     61       6.8628     -0.00000
     62       7.3596     -0.00000
     63       7.5118     -0.00000
     64       7.7041     -0.00000
     65       8.1206     -0.00000
     66       8.2655     -0.00000
     67       9.9549     -0.00000
     68      10.3802     -0.00000
     69      10.5503     -0.00000
     70      11.0069     -0.00000
     71      11.1707     -0.00000
     72      11.6672      0.00000
     73      12.3362      0.00000
     74      12.4673      0.00000
     75      12.9850      0.00000
     76      13.1765      0.00000
     77      13.6619      0.00000
     78      13.8009      0.00000
     79      14.0942      0.00000
     80      14.3722      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.8976      2.00000
      9      -0.3628      2.00000
     10      -0.0483      2.00000
     11       0.0294      2.00000
     12       0.4722      2.00000
     13       0.4987      2.00000
     14       0.5837      2.00000
     15       0.7000      2.00000
     16       0.7371      2.00000
     17       0.7747      2.00000
     18       0.8312      2.00000
     19       0.8816      2.00000
     20       1.0008      2.00000
     21       1.0286      2.00000
     22       1.1392      2.00000
     23       1.2448      2.00000
     24       1.3405      2.00000
     25       1.3900      2.00000
     26       1.4639      2.00000
     27       1.5178      2.00000
     28       1.5584      2.00000
     29       1.5962      2.00000
     30       1.7540      2.00000
     31       1.8040      2.00000
     32       1.8744      2.00000
     33       1.9141      2.00000
     34       1.9693      2.00000
     35       2.0225      2.00000
     36       2.1308      2.00000
     37       2.1907      2.00000
     38       2.2322      2.00000
     39       2.2592      2.00000
     40       2.3294      2.00000
     41       2.5596      2.00000
     42       2.6134      2.00000
     43       2.6591      2.00000
     44       2.7268      2.00000
     45       2.7376      2.00000
     46       2.8514      2.00000
     47       2.8788      2.00000
     48       2.9171      2.00000
     49       2.9686      2.00000
     50       3.0505      2.00000
     51       3.1396      2.00000
     52       3.2787      2.00000
     53       3.3551      2.00000
     54       3.4178      2.00000
     55       3.5059      2.00000
     56       3.7190      2.00000
     57       4.7026      2.00000
     58       5.3894      2.00007
     59       5.6372      2.02026
     60       5.8404      2.02570
     61       6.7004     -0.00002
     62       6.9441     -0.00000
     63       7.1090     -0.00000
     64       7.2458     -0.00000
     65       8.4983     -0.00000
     66       8.5884     -0.00000
     67       8.7075     -0.00000
     68       8.9071     -0.00000
     69       9.2541     -0.00000
     70       9.6766     -0.00000
     71      10.8991     -0.00000
     72      11.0874     -0.00000
     73      11.2722     -0.00000
     74      11.8020      0.00000
     75      12.7573      0.00000
     76      13.0107      0.00000
     77      13.5259      0.00000
     78      13.7603      0.00000
     79      13.9975      0.00000
     80      14.3942      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3654      2.00000
      9      -0.1202      2.00000
     10       0.1014      2.00000
     11       0.1753      2.00000
     12       0.4660      2.00000
     13       0.5321      2.00000
     14       0.5922      2.00000
     15       0.6408      2.00000
     16       0.7480      2.00000
     17       0.9049      2.00000
     18       0.9522      2.00000
     19       1.0674      2.00000
     20       1.1544      2.00000
     21       1.1935      2.00000
     22       1.2458      2.00000
     23       1.3199      2.00000
     24       1.3969      2.00000
     25       1.4875      2.00000
     26       1.5141      2.00000
     27       1.5420      2.00000
     28       1.6262      2.00000
     29       1.7216      2.00000
     30       1.7419      2.00000
     31       1.8399      2.00000
     32       1.9093      2.00000
     33       1.9736      2.00000
     34       2.0448      2.00000
     35       2.1139      2.00000
     36       2.1774      2.00000
     37       2.2593      2.00000
     38       2.3096      2.00000
     39       2.3222      2.00000
     40       2.3834      2.00000
     41       2.4336      2.00000
     42       2.5216      2.00000
     43       2.5660      2.00000
     44       2.5856      2.00000
     45       2.6400      2.00000
     46       2.7068      2.00000
     47       2.7629      2.00000
     48       2.8102      2.00000
     49       2.9596      2.00000
     50       3.0496      2.00000
     51       3.1439      2.00000
     52       3.1852      2.00000
     53       3.3360      2.00000
     54       3.5380      2.00000
     55       3.6032      2.00000
     56       3.9603      2.00000
     57       4.1959      2.00000
     58       4.4188      2.00000
     59       5.2807      2.00000
     60       5.8365      2.03183
     61       5.9597      1.50091
     62       6.2605     -0.07057
     63       6.4707     -0.00675
     64       6.9990     -0.00000
     65       7.8683     -0.00000
     66       8.0387     -0.00000
     67       8.8302     -0.00000
     68       9.1504     -0.00000
     69       9.7304     -0.00000
     70       9.8591     -0.00000
     71      10.3759     -0.00000
     72      10.5832     -0.00000
     73      10.9651     -0.00000
     74      11.8556      0.00000
     75      12.4596      0.00000
     76      12.6241      0.00000
     77      13.3285      0.00000
     78      13.7228      0.00000
     79      14.3612      0.00000
     80      14.4524      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4370      2.00000
      9      -0.1364      2.00000
     10      -0.0161      2.00000
     11       0.1329      2.00000
     12       0.5480      2.00000
     13       0.5930      2.00000
     14       0.6487      2.00000
     15       0.7819      2.00000
     16       0.8062      2.00000
     17       0.9266      2.00000
     18       0.9691      2.00000
     19       1.0516      2.00000
     20       1.1126      2.00000
     21       1.1534      2.00000
     22       1.2426      2.00000
     23       1.3407      2.00000
     24       1.3891      2.00000
     25       1.4109      2.00000
     26       1.4915      2.00000
     27       1.5927      2.00000
     28       1.6717      2.00000
     29       1.7227      2.00000
     30       1.7718      2.00000
     31       1.8251      2.00000
     32       1.8903      2.00000
     33       1.9016      2.00000
     34       2.0067      2.00000
     35       2.1279      2.00000
     36       2.1831      2.00000
     37       2.2222      2.00000
     38       2.2474      2.00000
     39       2.3094      2.00000
     40       2.3981      2.00000
     41       2.4577      2.00000
     42       2.4950      2.00000
     43       2.5565      2.00000
     44       2.6240      2.00000
     45       2.6478      2.00000
     46       2.7318      2.00000
     47       2.7757      2.00000
     48       2.8273      2.00000
     49       2.8802      2.00000
     50       3.1382      2.00000
     51       3.1469      2.00000
     52       3.3484      2.00000
     53       3.4751      2.00000
     54       3.5796      2.00000
     55       3.6118      2.00000
     56       3.7794      2.00000
     57       4.3661      2.00000
     58       4.5656      2.00000
     59       5.1291      2.00000
     60       5.6236      2.01638
     61       5.7621      2.06935
     62       6.4099     -0.01937
     63       6.5008     -0.00368
     64       6.8374     -0.00000
     65       7.0005     -0.00000
     66       7.3810     -0.00000
     67       9.1090     -0.00000
     68       9.3503     -0.00000
     69      10.2497     -0.00000
     70      10.5591     -0.00000
     71      10.9199     -0.00000
     72      11.4200     -0.00000
     73      11.5715      0.00000
     74      11.8392      0.00000
     75      12.1832      0.00000
     76      12.6633      0.00000
     77      12.9364      0.00000
     78      13.1031      0.00000
     79      13.9050      0.00000
     80      14.2405      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.1065      2.00000
      9      -0.3060      2.00000
     10      -0.1686      2.00000
     11       0.2361      2.00000
     12       0.4832      2.00000
     13       0.5490      2.00000
     14       0.5777      2.00000
     15       0.6576      2.00000
     16       0.7744      2.00000
     17       0.8595      2.00000
     18       0.9323      2.00000
     19       1.0206      2.00000
     20       1.0936      2.00000
     21       1.1247      2.00000
     22       1.1704      2.00000
     23       1.1945      2.00000
     24       1.2247      2.00000
     25       1.2569      2.00000
     26       1.3589      2.00000
     27       1.4869      2.00000
     28       1.5530      2.00000
     29       1.6407      2.00000
     30       1.6881      2.00000
     31       1.7948      2.00000
     32       1.8420      2.00000
     33       1.9715      2.00000
     34       2.0403      2.00000
     35       2.1039      2.00000
     36       2.1656      2.00000
     37       2.2232      2.00000
     38       2.2445      2.00000
     39       2.3062      2.00000
     40       2.3405      2.00000
     41       2.5296      2.00000
     42       2.6226      2.00000
     43       2.6479      2.00000
     44       2.7234      2.00000
     45       2.7381      2.00000
     46       2.7823      2.00000
     47       2.8221      2.00000
     48       2.9436      2.00000
     49       3.0010      2.00000
     50       3.0686      2.00000
     51       3.1420      2.00000
     52       3.2083      2.00000
     53       3.4293      2.00000
     54       3.4684      2.00000
     55       3.5706      2.00000
     56       3.7222      2.00000
     57       4.5350      2.00000
     58       4.7917      2.00000
     59       5.4123      2.00014
     60       5.9608      1.49275
     61       6.4833     -0.00527
     62       6.8159     -0.00000
     63       7.0952     -0.00000
     64       7.3927     -0.00000
     65       8.0538     -0.00000
     66       8.6714     -0.00000
     67       8.7652     -0.00000
     68       9.3441     -0.00000
     69       9.8383     -0.00000
     70       9.9246     -0.00000
     71      10.6667     -0.00000
     72      11.1782     -0.00000
     73      11.8838      0.00000
     74      12.1958      0.00000
     75      12.6586      0.00000
     76      13.2264      0.00000
     77      13.9632      0.00000
     78      14.0440      0.00000
     79      14.3736      0.00000
     80      14.4156      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.5472      2.00000
      9      -0.6227      2.00000
     10      -0.3804      2.00000
     11       0.1902      2.00000
     12       0.2331      2.00000
     13       0.4374      2.00000
     14       0.5260      2.00000
     15       0.5876      2.00000
     16       0.6329      2.00000
     17       0.6930      2.00000
     18       0.8092      2.00000
     19       0.9175      2.00000
     20       0.9462      2.00000
     21       0.9854      2.00000
     22       1.0488      2.00000
     23       1.1344      2.00000
     24       1.1625      2.00000
     25       1.2524      2.00000
     26       1.2736      2.00000
     27       1.3871      2.00000
     28       1.5940      2.00000
     29       1.6452      2.00000
     30       1.7105      2.00000
     31       1.7612      2.00000
     32       1.8231      2.00000
     33       1.8703      2.00000
     34       1.9937      2.00000
     35       2.0363      2.00000
     36       2.1233      2.00000
     37       2.3114      2.00000
     38       2.3477      2.00000
     39       2.4477      2.00000
     40       2.5175      2.00000
     41       2.5288      2.00000
     42       2.6086      2.00000
     43       2.6771      2.00000
     44       2.7023      2.00000
     45       2.7970      2.00000
     46       2.8473      2.00000
     47       2.9059      2.00000
     48       3.0531      2.00000
     49       3.0967      2.00000
     50       3.2143      2.00000
     51       3.2338      2.00000
     52       3.3021      2.00000
     53       3.4055      2.00000
     54       3.5926      2.00000
     55       3.7997      2.00000
     56       3.8191      2.00000
     57       3.9800      2.00000
     58       4.7546      2.00000
     59       5.6605      2.02827
     60       6.5625     -0.00090
     61       6.8495     -0.00000
     62       7.4503     -0.00000
     63       7.8333     -0.00000
     64       7.8904     -0.00000
     65       8.4246     -0.00000
     66       9.0558     -0.00000
     67       9.2279     -0.00000
     68       9.9924     -0.00000
     69      10.4783     -0.00000
     70      10.7281     -0.00000
     71      11.1431     -0.00000
     72      11.4831      0.00000
     73      12.1390      0.00000
     74      12.6646      0.00000
     75      13.0058      0.00000
     76      13.3608      0.00000
     77      13.4997      0.00000
     78      13.9093      0.00000
     79      14.3229      0.00000
     80      14.5421      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6499      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.6060      2.00000
      9      -0.7794      2.00000
     10      -0.6545      2.00000
     11       0.0684      2.00000
     12       0.1927      2.00000
     13       0.3589      2.00000
     14       0.3894      2.00000
     15       0.5677      2.00000
     16       0.6160      2.00000
     17       0.7297      2.00000
     18       0.7874      2.00000
     19       0.8493      2.00000
     20       0.9109      2.00000
     21       0.9277      2.00000
     22       1.0680      2.00000
     23       1.1165      2.00000
     24       1.1542      2.00000
     25       1.2472      2.00000
     26       1.2620      2.00000
     27       1.2727      2.00000
     28       1.4721      2.00000
     29       1.6063      2.00000
     30       1.6232      2.00000
     31       1.7505      2.00000
     32       1.7923      2.00000
     33       1.9154      2.00000
     34       2.1286      2.00000
     35       2.1610      2.00000
     36       2.3486      2.00000
     37       2.3579      2.00000
     38       2.3956      2.00000
     39       2.4421      2.00000
     40       2.4723      2.00000
     41       2.5397      2.00000
     42       2.6363      2.00000
     43       2.6683      2.00000
     44       2.7321      2.00000
     45       2.8030      2.00000
     46       2.8499      2.00000
     47       2.9003      2.00000
     48       2.9462      2.00000
     49       3.0432      2.00000
     50       3.1813      2.00000
     51       3.2296      2.00000
     52       3.3990      2.00000
     53       3.5946      2.00000
     54       3.6463      2.00000
     55       3.9608      2.00000
     56       4.0611      2.00000
     57       4.2360      2.00000
     58       4.4649      2.00000
     59       5.6838      2.03784
     60       6.2418     -0.06511
     61       6.6958     -0.00002
     62       7.5174     -0.00000
     63       7.8911     -0.00000
     64       8.1393     -0.00000
     65       8.8116     -0.00000
     66       9.3824     -0.00000
     67       9.5963     -0.00000
     68      10.7444     -0.00000
     69      10.9001     -0.00000
     70      11.4783     -0.00000
     71      11.9839      0.00000
     72      12.0846      0.00000
     73      12.5180      0.00000
     74      12.8972      0.00000
     75      13.0139      0.00000
     76      13.2963      0.00000
     77      13.4475      0.00000
     78      13.9062      0.00000
     79      14.0613      0.00000
     80      14.3425      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3882      2.00000
      9      -0.7278      2.00000
     10      -0.4689      2.00000
     11       0.1207      2.00000
     12       0.1886      2.00000
     13       0.4810      2.00000
     14       0.5508      2.00000
     15       0.6315      2.00000
     16       0.6380      2.00000
     17       0.7505      2.00000
     18       0.7709      2.00000
     19       0.9318      2.00000
     20       0.9373      2.00000
     21       0.9552      2.00000
     22       0.9847      2.00000
     23       1.1221      2.00000
     24       1.1652      2.00000
     25       1.1853      2.00000
     26       1.3723      2.00000
     27       1.3834      2.00000
     28       1.5185      2.00000
     29       1.6197      2.00000
     30       1.6343      2.00000
     31       1.7971      2.00000
     32       1.8457      2.00000
     33       1.9652      2.00000
     34       1.9915      2.00000
     35       2.1678      2.00000
     36       2.2059      2.00000
     37       2.2244      2.00000
     38       2.2603      2.00000
     39       2.3097      2.00000
     40       2.5391      2.00000
     41       2.5794      2.00000
     42       2.6270      2.00000
     43       2.6993      2.00000
     44       2.7465      2.00000
     45       2.8180      2.00000
     46       2.9010      2.00000
     47       2.9613      2.00000
     48       3.0070      2.00000
     49       3.1162      2.00000
     50       3.1605      2.00000
     51       3.2011      2.00000
     52       3.3145      2.00000
     53       3.4049      2.00000
     54       3.5627      2.00000
     55       3.7489      2.00000
     56       3.9037      2.00000
     57       4.0370      2.00000
     58       4.2920      2.00000
     59       6.2445     -0.06635
     60       6.6657     -0.00005
     61       7.1201     -0.00000
     62       7.3152     -0.00000
     63       8.0069     -0.00000
     64       8.2300     -0.00000
     65       8.3895     -0.00000
     66       8.7946     -0.00000
     67       9.5661     -0.00000
     68       9.8274     -0.00000
     69      10.1412     -0.00000
     70      10.3487     -0.00000
     71      10.8707     -0.00000
     72      11.3422     -0.00000
     73      12.0543      0.00000
     74      12.2126      0.00000
     75      12.6357      0.00000
     76      13.1444      0.00000
     77      13.5595      0.00000
     78      13.7554      0.00000
     79      14.3223      0.00000
     80      14.6276      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.9120      2.00000
      9      -0.4496      2.00000
     10       0.0467      2.00000
     11       0.0972      2.00000
     12       0.3988      2.00000
     13       0.4994      2.00000
     14       0.6487      2.00000
     15       0.6741      2.00000
     16       0.7407      2.00000
     17       0.7808      2.00000
     18       0.8212      2.00000
     19       0.9075      2.00000
     20       1.0222      2.00000
     21       1.0477      2.00000
     22       1.1267      2.00000
     23       1.2339      2.00000
     24       1.2761      2.00000
     25       1.2981      2.00000
     26       1.3824      2.00000
     27       1.4664      2.00000
     28       1.6758      2.00000
     29       1.7009      2.00000
     30       1.7890      2.00000
     31       1.8265      2.00000
     32       1.8553      2.00000
     33       1.9130      2.00000
     34       1.9745      2.00000
     35       2.0014      2.00000
     36       2.0319      2.00000
     37       2.2396      2.00000
     38       2.2995      2.00000
     39       2.3531      2.00000
     40       2.4855      2.00000
     41       2.5224      2.00000
     42       2.5732      2.00000
     43       2.6921      2.00000
     44       2.7104      2.00000
     45       2.7455      2.00000
     46       2.7658      2.00000
     47       2.8589      2.00000
     48       2.8840      2.00000
     49       2.9172      2.00000
     50       3.0775      2.00000
     51       3.1696      2.00000
     52       3.3349      2.00000
     53       3.3497      2.00000
     54       3.5890      2.00000
     55       3.7548      2.00000
     56       3.8264      2.00000
     57       4.0274      2.00000
     58       4.6324      2.00000
     59       4.8247      2.00000
     60       6.5781     -0.00061
     61       7.0592     -0.00000
     62       7.5117     -0.00000
     63       7.6285     -0.00000
     64       7.8484     -0.00000
     65       8.0346     -0.00000
     66       8.6911     -0.00000
     67       8.9133     -0.00000
     68       9.1893     -0.00000
     69       9.5847     -0.00000
     70       9.6068     -0.00000
     71       9.8070     -0.00000
     72      10.0912     -0.00000
     73      11.4927      0.00000
     74      11.8041      0.00000
     75      11.8834      0.00000
     76      12.9992      0.00000
     77      13.3861      0.00000
     78      13.9844      0.00000
     79      14.2283      0.00000
     80      14.5849      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3616      2.00000
      9      -0.1195      2.00000
     10       0.1055      2.00000
     11       0.1549      2.00000
     12       0.4203      2.00000
     13       0.5375      2.00000
     14       0.6123      2.00000
     15       0.6952      2.00000
     16       0.7724      2.00000
     17       0.8963      2.00000
     18       0.9387      2.00000
     19       1.0691      2.00000
     20       1.1212      2.00000
     21       1.1850      2.00000
     22       1.2142      2.00000
     23       1.3454      2.00000
     24       1.3948      2.00000
     25       1.4487      2.00000
     26       1.5092      2.00000
     27       1.6593      2.00000
     28       1.7021      2.00000
     29       1.7222      2.00000
     30       1.7410      2.00000
     31       1.8373      2.00000
     32       1.8755      2.00000
     33       1.9370      2.00000
     34       2.0114      2.00000
     35       2.1250      2.00000
     36       2.1651      2.00000
     37       2.2554      2.00000
     38       2.2806      2.00000
     39       2.3505      2.00000
     40       2.3985      2.00000
     41       2.4393      2.00000
     42       2.5299      2.00000
     43       2.5729      2.00000
     44       2.5980      2.00000
     45       2.6450      2.00000
     46       2.6819      2.00000
     47       2.7321      2.00000
     48       2.7956      2.00000
     49       2.8791      2.00000
     50       3.0791      2.00000
     51       3.1293      2.00000
     52       3.1817      2.00000
     53       3.2275      2.00000
     54       3.4922      2.00000
     55       3.6019      2.00000
     56       3.9625      2.00000
     57       4.6287      2.00000
     58       4.7035      2.00000
     59       5.1225      2.00000
     60       5.6508      2.02470
     61       5.7803      2.07084
     62       6.0902      0.45934
     63       6.3867     -0.02713
     64       6.9350     -0.00000
     65       7.6621     -0.00000
     66       8.4587     -0.00000
     67       9.0062     -0.00000
     68       9.3616     -0.00000
     69       9.4791     -0.00000
     70       9.8212     -0.00000
     71      10.6705     -0.00000
     72      11.0269     -0.00000
     73      11.3802     -0.00000
     74      11.7104      0.00000
     75      12.0836      0.00000
     76      12.4213      0.00000
     77      12.7619      0.00000
     78      13.6250      0.00000
     79      13.9680      0.00000
     80      14.1670      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4257      2.00000
      9      -0.1846      2.00000
     10       0.0397      2.00000
     11       0.1400      2.00000
     12       0.5294      2.00000
     13       0.5899      2.00000
     14       0.6804      2.00000
     15       0.7411      2.00000
     16       0.7984      2.00000
     17       0.8784      2.00000
     18       0.9550      2.00000
     19       1.0938      2.00000
     20       1.1110      2.00000
     21       1.2011      2.00000
     22       1.2756      2.00000
     23       1.2972      2.00000
     24       1.3664      2.00000
     25       1.4147      2.00000
     26       1.4675      2.00000
     27       1.5533      2.00000
     28       1.6706      2.00000
     29       1.7448      2.00000
     30       1.7762      2.00000
     31       1.8333      2.00000
     32       1.8503      2.00000
     33       1.9623      2.00000
     34       2.0628      2.00000
     35       2.0958      2.00000
     36       2.1341      2.00000
     37       2.2444      2.00000
     38       2.2808      2.00000
     39       2.2901      2.00000
     40       2.4406      2.00000
     41       2.4780      2.00000
     42       2.4807      2.00000
     43       2.5572      2.00000
     44       2.6277      2.00000
     45       2.6528      2.00000
     46       2.7068      2.00000
     47       2.7948      2.00000
     48       2.8059      2.00000
     49       2.8837      2.00000
     50       3.0941      2.00000
     51       3.1704      2.00000
     52       3.2535      2.00000
     53       3.4861      2.00000
     54       3.5661      2.00000
     55       3.6565      2.00000
     56       4.0654      2.00000
     57       4.5149      2.00000
     58       4.5667      2.00000
     59       4.8316      2.00000
     60       5.1717      2.00000
     61       5.6605      2.02825
     62       6.1412      0.16404
     63       6.4042     -0.02113
     64       7.5697     -0.00000
     65       7.7388     -0.00000
     66       8.0323     -0.00000
     67       8.4220     -0.00000
     68       8.9611     -0.00000
     69       9.6374     -0.00000
     70      10.2636     -0.00000
     71      10.4055     -0.00000
     72      11.2747     -0.00000
     73      11.6961      0.00000
     74      12.2910      0.00000
     75      12.4726      0.00000
     76      12.6313      0.00000
     77      13.3689      0.00000
     78      13.6178      0.00000
     79      14.1793      0.00000
     80      14.3164      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0464      2.00000
      9      -0.4614      2.00000
     10      -0.0781      2.00000
     11       0.3290      2.00000
     12       0.4441      2.00000
     13       0.5155      2.00000
     14       0.5687      2.00000
     15       0.6458      2.00000
     16       0.7494      2.00000
     17       0.8210      2.00000
     18       0.9224      2.00000
     19       0.9932      2.00000
     20       1.0239      2.00000
     21       1.0984      2.00000
     22       1.1871      2.00000
     23       1.2127      2.00000
     24       1.3167      2.00000
     25       1.3413      2.00000
     26       1.3625      2.00000
     27       1.4412      2.00000
     28       1.5074      2.00000
     29       1.6057      2.00000
     30       1.7696      2.00000
     31       1.8436      2.00000
     32       1.8644      2.00000
     33       1.9320      2.00000
     34       1.9892      2.00000
     35       2.0437      2.00000
     36       2.1236      2.00000
     37       2.1956      2.00000
     38       2.2619      2.00000
     39       2.3322      2.00000
     40       2.4526      2.00000
     41       2.4960      2.00000
     42       2.5117      2.00000
     43       2.6525      2.00000
     44       2.6849      2.00000
     45       2.7656      2.00000
     46       2.8046      2.00000
     47       2.8536      2.00000
     48       2.9306      2.00000
     49       3.0261      2.00000
     50       3.0860      2.00000
     51       3.1523      2.00000
     52       3.2241      2.00000
     53       3.3275      2.00000
     54       3.4901      2.00000
     55       3.6545      2.00000
     56       3.8540      2.00000
     57       4.7610      2.00000
     58       5.2154      2.00000
     59       5.3442      2.00002
     60       5.6029      2.01158
     61       6.3464     -0.04417
     62       6.5451     -0.00137
     63       7.2900     -0.00000
     64       7.3915     -0.00000
     65       7.6699     -0.00000
     66       8.0625     -0.00000
     67       8.8597     -0.00000
     68       9.6570     -0.00000
     69       9.9864     -0.00000
     70      10.5031     -0.00000
     71      10.6864     -0.00000
     72      11.0140     -0.00000
     73      11.3106     -0.00000
     74      12.4697      0.00000
     75      13.0277      0.00000
     76      13.3028      0.00000
     77      13.5990      0.00000
     78      14.1324      0.00000
     79      14.2304      0.00000
     80      14.8664      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.4856      2.00000
      9      -0.7323      2.00000
     10      -0.3566      2.00000
     11       0.1624      2.00000
     12       0.2201      2.00000
     13       0.4646      2.00000
     14       0.5332      2.00000
     15       0.6100      2.00000
     16       0.6337      2.00000
     17       0.6652      2.00000
     18       0.8248      2.00000
     19       0.8810      2.00000
     20       0.9389      2.00000
     21       0.9797      2.00000
     22       0.9973      2.00000
     23       1.1462      2.00000
     24       1.1835      2.00000
     25       1.2493      2.00000
     26       1.3249      2.00000
     27       1.4381      2.00000
     28       1.5491      2.00000
     29       1.5982      2.00000
     30       1.6182      2.00000
     31       1.6928      2.00000
     32       1.8975      2.00000
     33       1.9666      2.00000
     34       2.0204      2.00000
     35       2.0945      2.00000
     36       2.1971      2.00000
     37       2.2598      2.00000
     38       2.3358      2.00000
     39       2.3562      2.00000
     40       2.4570      2.00000
     41       2.4751      2.00000
     42       2.6350      2.00000
     43       2.6770      2.00000
     44       2.7562      2.00000
     45       2.7810      2.00000
     46       2.8319      2.00000
     47       2.9678      2.00000
     48       2.9899      2.00000
     49       3.1199      2.00000
     50       3.1561      2.00000
     51       3.2012      2.00000
     52       3.3083      2.00000
     53       3.3833      2.00000
     54       3.6165      2.00000
     55       3.7844      2.00000
     56       3.8343      2.00000
     57       4.6216      2.00000
     58       5.1347      2.00000
     59       5.6826      2.03732
     60       6.1401      0.16920
     61       6.4470     -0.01048
     62       6.9232     -0.00000
     63       7.2645     -0.00000
     64       7.9449     -0.00000
     65       8.9012     -0.00000
     66       8.9895     -0.00000
     67       9.2286     -0.00000
     68       9.9857     -0.00000
     69      10.0589     -0.00000
     70      11.7092      0.00000
     71      11.9170      0.00000
     72      12.1250      0.00000
     73      12.2427      0.00000
     74      12.4628      0.00000
     75      12.9002      0.00000
     76      13.3004      0.00000
     77      13.5715      0.00000
     78      13.8178      0.00000
     79      13.9623      0.00000
     80      14.4654      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.373  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.152  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.373  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.000   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.010   0.030   0.011   0.006  -1.169  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.074  -0.271   0.019  -0.182  -0.014  -1.060   0.225  -0.010   0.144  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.030  -0.271   2.654   0.008  -0.314  -0.025   0.225  -0.698  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.943   0.016  -0.042  -0.010  -0.018  -1.107  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.314   0.016   3.079  -0.013   0.145   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.169  -0.014  -0.025  -0.042  -0.013   1.223   0.017   0.020   0.068   0.019  -0.016   0.005   0.012  -0.007  -0.289  -0.000
 -0.014  -1.060   0.225  -0.010   0.145   0.017   0.979  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.698  -0.018   0.231   0.020  -0.181   0.678   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.010  -0.018  -1.107  -0.007   0.068   0.003   0.025   1.167   0.001   0.020  -0.006  -0.009  -0.003   0.011   0.000
 -0.013   0.144   0.231  -0.007  -1.017   0.019  -0.108  -0.160   0.001   0.908   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.069   0.084  -0.020  -0.141  -0.016   0.063  -0.092   0.020   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.011  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.69
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.65: real time    3.66
    STRESS:  cpu time    6.59: real time    6.61
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time     EDDAV:  cpu time   13.53: real time   13.57
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.56: real time   13.61

 eigenvalue-minimisations  :  5328
 total energy-change (2. order) : 0.4566391E-07  (-0.3481884E-08)
 number of electron     120.0000054 magnetization 
 augmentation part       42.0558022 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.78964539
  Ewald energy   TEWEN  =     -8359.68154522
  -1/2 Hartree   DENC   =     -1866.51195376
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.42081050
  PAW double counting   =      9478.46459995    -9406.32027250
  entropy T*S    EENTRO =         0.00494601
  eigenvalues    EBANDS =      -339.25184156
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87603588 eV

  energy without entropy =      -49.88098190  energy(sigma->0) =      -49.87768456
     0.01210
  in kB       0.34433     0.10088     0.28093     0.06405     0.13897     0.07530
  external pressure =        0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.40
      direct lattice vectors                 reciprocal lattice vectors
     4.098437551 -0.101816414  0.141625135     0.243704749  0.100395090  0.080587204
    -3.909675238  8.754523958  0.916959534     0.002770972  0.115189384  0.002623217
    -2.321582522 -0.107073761  7.154117981    -0.005179616 -0.016751537  0.137848082

  length of vectors
     4.102147562  9.631617984  7.522141602     0.275618352  0.115252565  0.138958757


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.367E+01 -.158E+03 0.253E+02   0.384E+01 0.161E+03 -.256E+02   -.166E+00 -.282E+01 0.300E+00   -.349E-04 0.145E-03 0.282E-03
   0.368E+01 0.158E+03 -.253E+02   -.384E+01 -.161E+03 0.256E+02   0.166E+00 0.282E+01 -.300E+00   0.390E-04 -.143E-03 -.283E-03
   0.318E+01 0.145E+03 0.754E+01   -.327E+01 -.147E+03 -.736E+01   0.925E-01 0.128E+01 -.178E+00   -.886E-04 -.219E-03 -.338E-03
   -.934E-01 -.687E+02 -.417E+02   0.998E-01 0.683E+02 0.425E+02   -.706E-02 0.335E+00 -.853E+00   -.182E-05 0.215E-05 0.212E-03
   0.628E+01 0.974E+02 -.972E+02   -.634E+01 -.986E+02 0.986E+02   0.630E-01 0.126E+01 -.139E+01   -.422E-04 -.269E-04 -.239E-03
   -.112E-01 0.300E-02 -.121E-01   0.112E-01 -.316E-02 0.122E-01   0.206E-03 0.725E-04 -.377E-04   -.367E-05 0.342E-05 0.313E-05
   -.625E+01 -.974E+02 0.972E+02   0.631E+01 0.987E+02 -.986E+02   -.638E-01 -.126E+01 0.139E+01   0.439E-04 0.240E-04 0.243E-03
   -.317E+01 -.145E+03 -.755E+01   0.326E+01 0.147E+03 0.737E+01   -.929E-01 -.128E+01 0.178E+00   0.947E-04 0.224E-03 0.334E-03
   0.602E-01 0.687E+02 0.417E+02   -.672E-01 -.683E+02 -.425E+02   0.823E-02 -.335E+00 0.853E+00   0.844E-05 -.236E-04 -.219E-03
   0.730E-02 0.399E-03 -.373E-03   -.711E-02 -.478E-03 0.247E-03   -.201E-03 0.188E-03 0.390E-04   0.142E-05 -.444E-05 0.596E-06
   0.943E+00 0.959E+01 -.281E+02   -.948E+00 -.941E+01 0.280E+02   0.482E-02 -.189E+00 0.993E-01   0.414E-05 0.163E-04 -.364E-04
   -.953E+00 -.959E+01 0.281E+02   0.958E+00 0.940E+01 -.280E+02   -.470E-02 0.189E+00 -.993E-01   -.441E-05 -.146E-04 0.362E-04
   0.757E+00 -.921E+01 -.205E+02   -.713E+00 0.925E+01 0.202E+02   -.438E-01 -.391E-01 0.271E+00   -.225E-05 -.179E-05 -.218E-04
   -.170E+01 -.621E+02 0.438E+01   0.169E+01 0.620E+02 -.464E+01   0.503E-02 0.684E-01 0.249E+00   -.107E-04 -.215E-04 -.274E-04
   -.752E+00 0.922E+01 0.205E+02   0.708E+00 -.926E+01 -.202E+02   0.436E-01 0.394E-01 -.270E+00   0.277E-05 0.196E-05 0.215E-04
   0.169E+01 0.621E+02 -.438E+01   -.169E+01 -.620E+02 0.463E+01   -.490E-02 -.682E-01 -.249E+00   0.104E-04 0.211E-04 0.277E-04
 -----------------------------------------------------------------------------------------------
   -.165E-03 0.603E-04 -.381E-04   -.218E-13 -.149E-12 -.586E-13   0.180E-03 0.879E-03 0.579E-04   0.162E-04 -.170E-04 -.331E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07063      6.35875      7.88648        -0.000416     -0.001030      0.000299
     -2.91085      8.15211      4.53374         0.000462      0.000843     -0.000411
     -1.04417      1.16109      4.62313        -0.000182     -0.000816      0.000783
     -2.90152      5.24033      2.40446        -0.000669      0.002152     -0.011358
      1.19206      1.83200      0.31000        -0.000111      0.001652      0.005582
     -3.08514      2.92905      5.68082         0.000217     -0.000144      0.000111
     -0.94225      4.03134      4.03915        -0.000483     -0.001521     -0.006003
     -1.02763      4.59530      6.88000         0.000023      0.000431     -0.000475
      3.15114      0.62299      1.94459         0.001239     -0.002195      0.011472
     -5.03984      7.30635      6.13928        -0.000009      0.000047     -0.000087
     -0.84861      3.63586      1.26093        -0.000453     -0.001477     -0.001750
      1.09819      2.22757      3.08816         0.000423      0.001703      0.001755
     -0.85052      6.70156      3.45518         0.000189      0.003486     -0.003605
     -2.99604      5.53029      5.14311        -0.000804      0.000579     -0.004951
     -2.80941      7.91635      1.81088        -0.000360     -0.003145      0.003707
      0.92422      0.22597      6.36009         0.000933     -0.000563      0.004931
 -----------------------------------------------------------------------------------
    total drift:                                0.000031      0.000923      0.000017


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87769057 eV

  energy  without entropy=      -49.88257842  energy(sigma->0) =      -49.87931985
 
 d Force = 0.5986950E-05[ 0.577E-05, 0.621E-05]  d Energy = 0.6578248E-06 0.533E-05
 d Force =-0.6038807E-01[-0.604E-01,-0.604E-01]  d Ewald  = 0.2487421E+00-0.309E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.74
     LOOP+:  cpu time  118.66: real time  119.32


----------------------------------------- Iteration   14(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.59: real time   15.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.33: real time   17.41

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.2710534E-04  (-0.4180445E-02)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0558913 magnetization 

 Broyden mixing:
  rms(total) = 0.32177E-02    rms(broyden)= 0.32175E-02
  rms(prec ) = 0.42467E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1870.91739604
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46003397
  PAW double counting   =      9487.76375424    -9415.73989313
  entropy T*S    EENTRO =         0.00488972
  eigenvalues    EBANDS =      -338.58411842
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87771770 eV

  energy without entropy =      -49.88260742  energy(sigma->0) =      -49.87934761
20       0.8946      2.00000
     21       0.9457      2.00000
     22       1.0475      2.00000
     23       1.0966      2.00000
     24       1.1847      2.00000
     25       1.2112      2.00000
     26       1.2823      2.00000
     27       1.3133      2.00000
     28       1.5760      2.00000
     29       1.6494      2.00000
     30       1.7080      2.00000
     31       1.7397      2.00000
     32       1.7845      2.00000
     33       1.9190      2.00000
     34       1.9320      2.00000
     35       2.1474      2.00000
     36       2.1636      2.00000
     37       2.2626      2.00000
     38       2.2984      2.00000
     39       2.4349      2.00000
     40       2.5254      2.00000
     41       2.5763      2.00000
     42       2.6265      2.00000
     43       2.7078      2.00000
     44       2.8595      2.00000
     45       2.8809      2.00000
     46       2.8971      2.00000
     47       2.9818      2.00000
     48       3.0261      2.00000
     49       3.1033      2.00000
     50       3.1315      2.00000
     51       3.3203      2.00000
     52       3.3599      2.00000
     53       3.4829      2.00000
     54       3.5742      2.00000
     55       3.8804      2.00000
     56       4.0515      2.00000
     57       4.2021      2.00000
     58       4.2424      2.00000
     59       4.9165      2.00000
     60       5.6213      2.02169
     61       6.2413     -0.07070
     62       8.2754     -0.00000
     63       8.2885     -0.00000
     64       8.3419     -0.00000
     65       8.9724     -0.00000
     66       9.6203     -0.00000
     67      10.3351     -0.00000
     68      10.7324     -0.00000
     69      11.4293     -0.00000
     70      11.7541      0.00000
     71      11.7914      0.00000
     72      12.0815      0.00000
     73      12.2229      0.00000
     74      12.3573      0.00000
     75      12.4512      0.00000
     76      12.7318      0.00000
     77      13.2612      0.00000
     78      13.6226      0.00000
     79      13.7567      0.00000
     80      14.6202      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6650      2.00000
      6     -39.6091      2.00000
      7     -39.5961      2.00000
      8      -1.6652      2.00000
      9      -0.5640      2.00000
     10      -0.2678      2.00000
     11       0.2603      2.00000
     12       0.2868      2.00000
     13       0.3914      2.00000
     14       0.4698      2.00000
     15       0.6006      2.00000
     16       0.6174      2.00000
     17       0.7393      2.00000
     18       0.8224      2.00000
     19       0.9155      2.00000
     20       0.9429      2.00000
     21       0.9718      2.00000
     22       1.1020      2.00000
     23       1.1156      2.00000
     24       1.1945      2.00000
     25       1.2404      2.00000
     26       1.3533      2.00000
     27       1.3821      2.00000
     28       1.4905      2.00000
     29       1.6249      2.00000
     30       1.6590      2.00000
     31       1.7511      2.00000
     32       1.8147      2.00000
     33       1.8458      2.00000
     34       2.0027      2.00000
     35       2.0227      2.00000
     36       2.1601      2.00000
     37       2.2511      2.00000
     38       2.3573      2.00000
     39       2.4501      2.00000
     40       2.4895      2.00000
     41       2.5520      2.00000
     42       2.5968      2.00000
     43       2.6774      2.00000
     44       2.7225      2.00000
     45       2.7972      2.00000
     46       2.8083      2.00000
     47       2.9089      2.00000
     48       3.0494      2.00000
     49       3.1097      2.00000
     50       3.1820      2.00000
     51       3.2254      2.00000
     52       3.2711      2.00000
     53       3.4082      2.00000
     54       3.6019      2.00000
     55       3.6951      2.00000
     56       3.8363      2.00000
     57       4.0920      2.00000
     58       4.5605      2.00000
     59       5.4725      2.00118
     60       6.2331     -0.06939
     61       6.7774     -0.00000
     62       7.1149     -0.00000
     63       7.7147     -0.00000
     64       8.2497     -0.00000
     65       8.5544     -0.00000
     66       8.6989     -0.00000
     67       9.6583     -0.00000
     68      10.2492     -0.00000
     69      10.5874     -0.00000
     70      10.6572     -0.00000
     71      11.1193     -0.00000
     72      11.7077      0.00000
     73      12.5148      0.00000
     74      12.8742      0.00000
     75      13.1927      0.00000
     76      13.2847      0.00000
     77      13.4534      0.00000
     78      13.8490      0.00000
     79      14.4340      0.00000
     80      14.6576      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5981      2.00000
      8      -1.0252      2.00000
      9      -0.4105      2.00000
     10      -0.1190      2.00000
     11       0.3251      2.00000
     12       0.4223      2.00000
     13       0.5004      2.00000
     14       0.5908      2.00000
     15       0.6530      2.00000
     16       0.7329      2.00000
     17       0.8412      2.00000
     18       0.9123      2.00000
     19       0.9920      2.00000
     20       1.0408      2.00000
     21       1.0777      2.00000
     22       1.1761      2.00000
     23       1.2301      2.00000
     24       1.2814      2.00000
     25       1.3097      2.00000
     26       1.3605      2.00000
     27       1.4563      2.00000
     28       1.5527      2.00000
     29       1.6070      2.00000
     30       1.7242      2.00000
     31       1.8089      2.00000
     32       1.8520      2.00000
     33       1.9507      2.00000
     34       2.0032      2.00000
     35       2.1060      2.00000
     36       2.1149      2.00000
     37       2.1780      2.00000
     38       2.2443      2.00000
     39       2.3015      2.00000
     40       2.4015      2.00000
     41       2.4750      2.00000
     42       2.5258      2.00000
     43       2.6432      2.00000
     44       2.6747      2.00000
     45       2.7344      2.00000
     46       2.7906      2.00000
     47       2.8341      2.00000
     48       2.9148      2.00000
     49       3.0076      2.00000
     50       3.0890      2.00000
     51       3.1356      2.00000
     52       3.2362      2.00000
     53       3.3483      2.00000
     54       3.4451      2.00000
     55       3.5658      2.00000
     56       3.8152      2.00000
     57       4.6102      2.00000
     58       4.9796      2.00000
     59       5.4269      2.00037
     60       5.7693      2.06957
     61       6.4464     -0.00726
     62       6.8096     -0.00000
     63       6.9744     -0.00000
     64       7.4958     -0.00000
     65       8.0024     -0.00000
     66       8.3395     -0.00000
     67       8.7137     -0.00000
     68       9.4144     -0.00000
     69       9.8135     -0.00000
     70      10.3148     -0.00000
     71      10.4773     -0.00000
     72      10.7559     -0.00000
     73      11.4071     -0.00000
     74      12.2075      0.00000
     75      13.1092      0.00000
     76      13.6099      0.00000
     77      13.7067      0.00000
     78      13.8462      0.00000
     79      14.3034      0.00000
     80      14.6860      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3858      2.00000
      9      -0.1021      2.00000
     10       0.0885      2.00000
     11       0.1699      2.00000
     12       0.4844      2.00000
     13       0.5081      2.00000
     14       0.5637      2.00000
     15       0.6332      2.00000
     16       0.8339      2.00000
     17       0.9178      2.00000
     18       0.9343      2.00000
     19       1.1091      2.00000
     20       1.1617      2.00000
     21       1.1917      2.00000
     22       1.2618      2.00000
     23       1.3735      2.00000
     24       1.3945      2.00000
     25       1.4069      2.00000
     26       1.4764      2.00000
     27       1.5123      2.00000
     28       1.6461      2.00000
     29       1.6813      2.00000
     30       1.7319      2.00000
     31       1.7976      2.00000
     32       1.9074      2.00000
     33       1.9432      2.00000
     34       2.0573      2.00000
     35       2.1401      2.00000
     36       2.1587      2.00000
     37       2.1794      2.00000
     38       2.2679      2.00000
     39       2.3100      2.00000
     40       2.3568      2.00000
     41       2.4543      2.00000
     42       2.4695      2.00000
     43       2.5370      2.00000
     44       2.6272      2.00000
     45       2.6694      2.00000
     46       2.7459      2.00000
     47       2.7964      2.00000
     48       2.8387      2.00000
     49       2.9126      2.00000
     50       3.0545      2.00000
     51       3.1580      2.00000
     52       3.2580      2.00000
     53       3.3551      2.00000
     54       3.5448      2.00000
     55       3.6308      2.00000
     56       3.8083      2.00000
     57       4.1346      2.00000
     58       4.2701      2.00000
     59       5.1230      2.00000
     60       5.8588      1.92934
     61       6.0538      0.57448
     62       6.1325      0.11407
     63       6.8139     -0.00000
     64       7.0519     -0.00000
     65       7.6760     -0.00000
     66       8.1970     -0.00000
     67       8.4701     -0.00000
     68       8.8184     -0.00000
     69       9.4746     -0.00000
     70       9.7825     -0.00000
     71      10.5133     -0.00000
     72      10.9159     -0.00000
     73      11.1840     -0.00000
     74      11.7508      0.00000
     75      12.2791      0.00000
     76      12.7148      0.00000
     77      13.4377      0.00000
     78      13.7718      0.00000
     79      13.9429      0.00000
     80      14.6220      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9244      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4407      2.00000
      9      -0.1719      2.00000
     10       0.0393      2.00000
     11       0.1421      2.00000
     12       0.5038      2.00000
     13       0.5279      2.00000
     14       0.7002      2.00000
     15       0.7417      2.00000
     16       0.8741      2.00000
     17       0.9112      2.00000
     18       0.9920      2.00000
     19       1.0719      2.00000
     20       1.0890      2.00000
     21       1.2448      2.00000
     22       1.2729      2.00000
     23       1.3283      2.00000
     24       1.3855      2.00000
     25       1.3963      2.00000
     26       1.4488      2.00000
     27       1.4873      2.00000
     28       1.6637      2.00000
     29       1.7025      2.00000
     30       1.7462      2.00000
     31       1.7968      2.00000
     32       1.8761      2.00000
     33       1.8992      2.00000
     34       2.0315      2.00000
     35       2.0717      2.00000
     36       2.1382      2.00000
     37       2.1558      2.00000
     38       2.2223      2.00000
     39       2.3271      2.00000
     40       2.4365      2.00000
     41       2.4580      2.00000
     42       2.5323      2.00000
     43       2.5727      2.00000
     44       2.6153      2.00000
     45       2.6733      2.00000
     46       2.7247      2.00000
     47       2.8037      2.00000
     48       2.8413      2.00000
     49       2.8985      2.00000
     50       3.0930      2.00000
     51       3.1727      2.00000
     52       3.1982      2.00000
     53       3.5036      2.00000
     54       3.5386      2.00000
     55       3.7360      2.00000
     56       4.1857      2.00000
     57       4.3793      2.00000
     58       4.5606      2.00000
     59       4.7140      2.00000
     60       5.1552      2.00000
     61       5.5699      2.00926
     62       6.0727      0.43856
     63       6.1093      0.21887
     64       7.0675     -0.00000
     65       8.2601     -0.00000
     66       8.4202     -0.00000
     67       8.9158     -0.00000
     68       9.1778     -0.00000
     69       9.2879     -0.00000
     70       9.9234     -0.00000
     71      10.4335     -0.00000
     72      10.5659     -0.00000
     73      11.3091     -0.00000
     74      11.8549      0.00000
     75      12.5296      0.00000
     76      13.1872      0.00000
     77      13.5426      0.00000
     78      13.8765      0.00000
     79      14.1216      0.00000
     80      14.3992      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.1576      2.00000
      9      -0.4710      2.00000
     10       0.0275      2.00000
     11       0.1522      2.00000
     12       0.5188      2.00000
     13       0.5963      2.00000
     14       0.6476      2.00000
     15       0.6872      2.00000
     16       0.8221      2.00000
     17       0.8342      2.00000
     18       0.8711      2.00000
     19       0.9640      2.00000
     20       1.0901      2.00000
     21       1.1328      2.00000
     22       1.1826      2.00000
     23       1.2093      2.00000
     24       1.3030      2.00000
     25       1.3453      2.00000
     26       1.3939      2.00000
     27       1.4461      2.00000
     28       1.4765      2.00000
     29       1.6307      2.00000
     30       1.7363      2.00000
     31       1.7575      2.00000
     32       1.8327      2.00000
     33       1.8989      2.00000
     34       1.9543      2.00000
     35       2.0483      2.00000
     36       2.1534      2.00000
     37       2.2079      2.00000
     38       2.2908      2.00000
     39       2.3481      2.00000
     40       2.4330      2.00000
     41       2.5080      2.00000
     42       2.5506      2.00000
     43       2.5946      2.00000
     44       2.6546      2.00000
     45       2.7645      2.00000
     46       2.7819      2.00000
     47       2.8644      2.00000
     48       2.8764      2.00000
     49       3.0341      2.00000
     50       3.0807      2.00000
     51       3.1243      2.00000
     52       3.2118      2.00000
     53       3.3155      2.00000
     54       3.5202      2.00000
     55       3.6900      2.00000
     56       4.0865      2.00000
     57       4.4283      2.00000
     58       4.8440      2.00000
     59       5.4640      2.00096
     60       5.6660      2.03901
     61       6.0572      0.54890
     62       6.3607     -0.02922
     63       6.9673     -0.00000
     64       7.1881     -0.00000
     65       7.5612     -0.00000
     66       8.1672     -0.00000
     67       9.0511     -0.00000
     68       9.2847     -0.00000
     69      10.2162     -0.00000
     70      10.9957     -0.00000
     71      11.3289     -0.00000
     72      11.6840      0.00000
     73      12.0873      0.00000
     74      12.3372      0.00000
     75      12.7316      0.00000
     76      13.3710      0.00000
     77      13.5857      0.00000
     78      13.8850      0.00000
     79      14.2490      0.00000
     80      14.3878      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6650      2.00000
      6     -39.6091      2.00000
      7     -39.5962      2.00000
      8      -1.7505      2.00000
      9      -0.6198      2.00000
     10       0.0464      2.00000
     11       0.1760      2.00000
     12       0.3340      2.00000
     13       0.3372      2.00000
     14       0.4155      2.00000
     15       0.6271      2.00000
     16       0.6451      2.00000
     17       0.7387      2.00000
     18       0.8182      2.00000
     19       0.8903      2.00000
     20       0.9108      2.00000
     21       1.0564      2.00000
     22       1.0718      2.00000
     23       1.1458      2.00000
     24       1.2164      2.00000
     25       1.2769      2.00000
     26       1.2968      2.00000
     27       1.3324      2.00000
     28       1.4662      2.00000
     29       1.6614      2.00000
     30       1.6792      2.00000
     31       1.7659      2.00000
     32       1.8308      2.00000
     33       1.8885      2.00000
     34       1.9132      2.00000
     35       2.0778      2.00000
     36       2.1527      2.00000
     37       2.2649      2.00000
     38       2.3148      2.00000
     39       2.3746      2.00000
     40       2.4798      2.00000
     41       2.5142      2.00000
     42       2.6016      2.00000
     43       2.7289      2.00000
     44       2.7873      2.00000
     45       2.8169      2.00000
     46       2.8610      2.00000
     47       2.9199      2.00000
     48       3.0181      2.00000
     49       3.0895      2.00000
     50       3.1241      2.00000
     51       3.1919      2.00000
     52       3.2505      2.00000
     53       3.4242      2.00000
     54       3.6633      2.00000
     55       3.7845      2.00000
     56       3.9279      2.00000
     57       4.1011      2.00000
     58       4.8300      2.00000
     59       5.0578      2.00000
     60       5.5665      2.00870
     61       6.6655     -0.00003
     62       7.1757     -0.00000
     63       7.7114     -0.00000
     64       8.2019     -0.00000
     65       8.7908     -0.00000
     66       8.9695     -0.00000
     67       9.3788     -0.00000
     68      10.1849     -0.00000
     69      10.7536     -0.00000
     70      10.7889     -0.00000
     71      11.3887     -0.00000
     72      12.4617      0.00000
     73      12.8431      0.00000
     74      13.0931      0.00000
     75      13.2617      0.00000
     76      13.3950      0.00000
     77      13.7689      0.00000
     78      13.8593      0.00000
     79      14.2510      0.00000
     80      14.3696      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9272      2.00000
      2     -39.9203      2.00000
      3     -39.8241      2.00000
      4     -39.6654      2.00000
      5     -39.6650      2.00000
      6     -39.6098      2.00000
      7     -39.5954      2.00000
      8      -1.8535      2.00000
      9      -0.8912      2.00000
     10      -0.0282      2.00000
     11       0.1615      2.00000
     12       0.2130      2.00000
     13       0.3062      2.00000
     14       0.4267      2.00000
     15       0.5857      2.00000
     16       0.6163      2.00000
     17       0.6303      2.00000
     18       0.6953      2.00000
     19       0.7782      2.00000
     20       0.8422      2.00000
     21       0.9374      2.00000
     22       1.0353      2.00000
     23       1.0765      2.00000
     24       1.2511      2.00000
     25       1.2916      2.00000
     26       1.3974      2.00000
     27       1.4240      2.00000
     28       1.5901      2.00000
     29       1.6068      2.00000
     30       1.6424      2.00000
     31       1.7008      2.00000
     32       1.7943      2.00000
     33       1.8738      2.00000
     34       1.9357      2.00000
     35       2.1484      2.00000
     36       2.2133      2.00000
     37       2.2184      2.00000
     38       2.2802      2.00000
     39       2.4265      2.00000
     40       2.4926      2.00000
     41       2.6214      2.00000
     42       2.6526      2.00000
     43       2.6667      2.00000
     44       2.7917      2.00000
     45       2.8289      2.00000
     46       2.8742      2.00000
     47       2.9067      2.00000
     48       3.0452      2.00000
     49       3.0984      2.00000
     50       3.1419      2.00000
     51       3.3103      2.00000
     52       3.3546      2.00000
     53       3.4389      2.00000
     54       3.6218      2.00000
     55       3.9476      2.00000
     56       4.2006      2.00000
     57       4.2158      2.00000
     58       4.3472      2.00000
     59       4.8440      2.00000
     60       6.2959     -0.05782
     61       6.4569     -0.00592
     62       6.9670     -0.00000
     63       7.2818     -0.00000
     64       8.7646     -0.00000
     65       9.5387     -0.00000
     66       9.6611     -0.00000
     67       9.8642     -0.00000
     68      10.9936     -0.00000
     69      11.1305     -0.00000
     70      11.2027     -0.00000
     71      11.4762      0.00000
     72      12.2676      0.00000
     73      12.6658      0.00000
     74      13.1024      0.00000
     75      13.3717      0.00000
     76      13.5421      0.00000
     77      13.7932      0.00000
     78      13.9896      0.00000
     79      14.2621      0.00000
     80      14.4911      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6654      2.00000
      5     -39.6649      2.00000
      6     -39.6091      2.00000
      7     -39.5961      2.00000
      8      -1.5733      2.00000
      9      -0.8127      2.00000
     10      -0.1404      2.00000
     11       0.2215      2.00000
     12       0.2667      2.00000
     13       0.4319      2.00000
     14       0.5056      2.00000
     15       0.5737      2.00000
     16       0.6252      2.00000
     17       0.6947      2.00000
     18       0.7857      2.00000
     19       0.8933      2.00000
     20       0.9619      2.00000
     21       0.9826      2.00000
     22       1.0561      2.00000
     23       1.1521      2.00000
     24       1.2114      2.00000
     25       1.2946      2.00000
     26       1.3738      2.00000
     27       1.3936      2.00000
     28       1.5252      2.00000
     29       1.5612      2.00000
     30       1.6157      2.00000
     31       1.6698      2.00000
     32       1.8821      2.00000
     33       1.9571      2.00000
     34       2.0141      2.00000
     35       2.1477      2.00000
     36       2.1836      2.00000
     37       2.2580      2.00000
     38       2.3028      2.00000
     39       2.3524      2.00000
     40       2.3779      2.00000
     41       2.4347      2.00000
     42       2.6410      2.00000
     43       2.6589      2.00000
     44       2.7623      2.00000
     45       2.7778      2.00000
     46       2.8314      2.00000
     47       2.9721      2.00000
     48       3.0033      2.00000
     49       3.1019      2.00000
     50       3.1615      2.00000
     51       3.1872      2.00000
     52       3.2897      2.00000
     53       3.4451      2.00000
     54       3.6308      2.00000
     55       3.6876      2.00000
     56       3.8730      2.00000
     57       4.4316      2.00000
     58       4.9119      2.00000
     59       5.5028      2.00238
     60       5.8538      1.94561
     61       6.5497     -0.00074
     62       7.0067     -0.00000
     63       7.5006     -0.00000
     64       8.0446     -0.00000
     65       8.3573     -0.00000
     66       8.8965     -0.00000
     67       9.3496     -0.00000
     68       9.6056     -0.00000
     69      10.4454     -0.00000
     70      11.9451      0.00000
     71      12.2994      0.00000
     72      12.3758      0.00000
     73      12.5708      0.00000
     74      12.6948      0.00000
     75      12.8798      0.00000
     76      13.2955      0.00000
     77      13.5762      0.00000
     78      13.9190      0.00000
     79      13.9593      0.00000
     80      14.4040      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.0216      2.00000
      9      -0.3797      2.00000
     10      -0.1299      2.00000
     11       0.3227      2.00000
     12       0.3944      2.00000
     13       0.4993      2.00000
     14       0.5349      2.00000
     15       0.6764      2.00000
     16       0.7820      2.00000
     17       0.8149      2.00000
     18       0.9294      2.00000
     19       0.9407      2.00000
     20       1.0214      2.00000
     21       1.0720      2.00000
     22       1.1632      2.00000
     23       1.2127      2.00000
     24       1.3075      2.00000
     25       1.3587      2.00000
     26       1.4120      2.00000
     27       1.4798      2.00000
     28       1.5488      2.00000
     29       1.6093      2.00000
     30       1.7482      2.00000
     31       1.8227      2.00000
     32       1.8790      2.00000
     33       1.9199      2.00000
     34       1.9778      2.00000
     35       2.0264      2.00000
     36       2.0748      2.00000
     37       2.1253      2.00000
     38       2.2015      2.00000
     39       2.3041      2.00000
     40       2.4524      2.00000
     41       2.4875      2.00000
     42       2.5534      2.00000
     43       2.6066      2.00000
     44       2.6783      2.00000
     45       2.7827      2.00000
     46       2.8098      2.00000
     47       2.8630      2.00000
     48       2.9186      2.00000
     49       2.9680      2.00000
     50       3.0733      2.00000
     51       3.1595      2.00000
     52       3.2371      2.00000
     53       3.2700      2.00000
     54       3.4577      2.00000
     55       3.5948      2.00000
     56       3.9806      2.00000
     57       4.4640      2.00000
     58       5.2453      2.00000
     59       5.6654      2.03876
     60       5.9024      1.73595
     61       6.2700     -0.06733
     62       6.5288     -0.00124
     63       6.7010     -0.00001
     64       7.4129     -0.00000
     65       7.6474     -0.00000
     66       8.0804     -0.00000
     67       9.1035     -0.00000
     68       9.7671     -0.00000
     69       9.9311     -0.00000
     70      10.1630     -0.00000
     71      11.0610     -0.00000
     72      11.1707     -0.00000
     73      11.8061      0.00000
     74      12.0465      0.00000
     75      12.3751      0.00000
     76      12.8053      0.00000
     77      13.2986      0.00000
     78      13.6510      0.00000
     79      14.0722      0.00000
     80      14.4619      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3874      2.00000
      9      -0.0764      2.00000
     10       0.0662      2.00000
     11       0.1501      2.00000
     12       0.4123      2.00000
     13       0.5185      2.00000
     14       0.6078      2.00000
     15       0.7165      2.00000
     16       0.8521      2.00000
     17       0.9032      2.00000
     18       0.9146      2.00000
     19       1.0950      2.00000
     20       1.1500      2.00000
     21       1.1880      2.00000
     22       1.2404      2.00000
     23       1.3123      2.00000
     24       1.3929      2.00000
     25       1.4621      2.00000
     26       1.4875      2.00000
     27       1.5924      2.00000
     28       1.6703      2.00000
     29       1.7071      2.00000
     30       1.7286      2.00000
     31       1.8337      2.00000
     32       1.8750      2.00000
     33       1.9574      2.00000
     34       1.9702      2.00000
     35       2.0624      2.00000
     36       2.1115      2.00000
     37       2.2211      2.00000
     38       2.2927      2.00000
     39       2.3393      2.00000
     40       2.3757      2.00000
     41       2.4470      2.00000
     42       2.4988      2.00000
     43       2.5153      2.00000
     44       2.6152      2.00000
     45       2.6844      2.00000
     46       2.7249      2.00000
     47       2.7840      2.00000
     48       2.8340      2.00000
     49       2.8595      2.00000
     50       3.0605      2.00000
     51       3.1317      2.00000
     52       3.2592      2.00000
     53       3.3180      2.00000
     54       3.4677      2.00000
     55       3.5754      2.00000
     56       3.7227      2.00000
     57       4.3990      2.00000
     58       4.7463      2.00000
     59       5.1136      2.00000
     60       5.6507      2.03245
     61       5.9055      1.71879
     62       6.1980     -0.04631
     63       6.5276     -0.00127
     64       6.7362     -0.00000
     65       7.7178     -0.00000
     66       8.0406     -0.00000
     67       8.5156     -0.00000
     68       9.2572     -0.00000
     69       9.6898     -0.00000
     70      10.1948     -0.00000
     71      10.7953     -0.00000
     72      10.9571     -0.00000
     73      11.3795     -0.00000
     74      11.6382      0.00000
     75      12.1677      0.00000
     76      12.4987      0.00000
     77      13.1151      0.00000
     78      13.3789      0.00000
     79      13.9572      0.00000
     80      14.3098      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9244      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4391      2.00000
      9      -0.1438      2.00000
     10      -0.0389      2.00000
     11       0.1388      2.00000
     12       0.5499      2.00000
     13       0.6681      2.00000
     14       0.6987      2.00000
     15       0.7283      2.00000
     16       0.7955      2.00000
     17       0.8813      2.00000
     18       0.9520      2.00000
     19       1.0885      2.00000
     20       1.1081      2.00000
     21       1.1396      2.00000
     22       1.2581      2.00000
     23       1.3362      2.00000
     24       1.3641      2.00000
     25       1.3870      2.00000
     26       1.5378      2.00000
     27       1.5800      2.00000
     28       1.6668      2.00000
     29       1.7099      2.00000
     30       1.7624      2.00000
     31       1.8075      2.00000
     32       1.8510      2.00000
     33       1.9544      2.00000
     34       1.9860      2.00000
     35       2.0879      2.00000
     36       2.1562      2.00000
     37       2.2287      2.00000
     38       2.3116      2.00000
     39       2.3303      2.00000
     40       2.4438      2.00000
     41       2.4588      2.00000
     42       2.4839      2.00000
     43       2.5171      2.00000
     44       2.5589      2.00000
     45       2.5714      2.00000
     46       2.7163      2.00000
     47       2.7515      2.00000
     48       2.8024      2.00000
     49       2.8704      2.00000
     50       3.1168      2.00000
     51       3.1530      2.00000
     52       3.2797      2.00000
     53       3.4925      2.00000
     54       3.5587      2.00000
     55       3.6346      2.00000
     56       4.0449      2.00000
     57       4.3963      2.00000
     58       4.4901      2.00000
     59       5.0042      2.00000
     60       5.1324      2.00000
     61       5.8098      2.04067
     62       6.1184      0.17471
     63       6.4862     -0.00324
     64       7.1625     -0.00000
     65       7.2589     -0.00000
     66       7.7151     -0.00000
     67       8.2784     -0.00000
     68       9.5680     -0.00000
     69       9.9664     -0.00000
     70      10.5737     -0.00000
     71      11.0524     -0.00000
     72      11.2872     -0.00000
     73      11.7824      0.00000
     74      12.0108      0.00000
     75      12.2111      0.00000
     76      12.8563      0.00000
     77      13.1662      0.00000
     78      13.2907      0.00000
     79      14.1369      0.00000
     80      14.2453      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8237      2.00000
      4     -39.6652      2.00000
      5     -39.6650      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.2046      2.00000
      9      -0.3338      2.00000
     10      -0.0714      2.00000
     11       0.1050      2.00000
     12       0.5526      2.00000
     13       0.5790      2.00000
     14       0.6372      2.00000
     15       0.7127      2.00000
     16       0.8445      2.00000
     17       0.8799      2.00000
     18       0.9418      2.00000
     19       1.0103      2.00000
     20       1.0723      2.00000
     21       1.1136      2.00000
     22       1.1780      2.00000
     23       1.2414      2.00000
     24       1.2683      2.00000
     25       1.3234      2.00000
     26       1.3817      2.00000
     27       1.3928      2.00000
     28       1.5479      2.00000
     29       1.6690      2.00000
     30       1.6998      2.00000
     31       1.8083      2.00000
     32       1.8852      2.00000
     33       1.9208      2.00000
     34       1.9908      2.00000
     35       2.0076      2.00000
     36       2.0431      2.00000
     37       2.1500      2.00000
     38       2.1999      2.00000
     39       2.3867      2.00000
     40       2.4293      2.00000
     41       2.4844      2.00000
     42       2.5383      2.00000
     43       2.6021      2.00000
     44       2.6598      2.00000
     45       2.7522      2.00000
     46       2.8396      2.00000
     47       2.8731      2.00000
     48       2.9248      2.00000
     49       3.0144      2.00000
     50       3.0451      2.00000
     51       3.0927      2.00000
     52       3.1724      2.00000
     53       3.2716      2.00000
     54       3.5152      2.00000
     55       3.6388      2.00000
     56       3.9816      2.00000
     57       4.3152      2.00000
     58       5.3101      2.00001
     59       5.4781      2.00135
     60       5.6478      2.03130
     61       5.8136      2.03555
     62       6.6239     -0.00010
     63       6.9216     -0.00000
     64       7.4149     -0.00000
     65       7.8082     -0.00000
     66       7.8862     -0.00000
     67       8.4529     -0.00000
     68       9.7809     -0.00000
     69       9.9935     -0.00000
     70      10.4359     -0.00000
     71      11.6955      0.00000
     72      12.2286      0.00000
     73      12.5235      0.00000
     74      12.8649      0.00000
     75      13.0754      0.00000
     76      13.3719      0.00000
     77      13.4283      0.00000
     78      13.5482      0.00000
     79      13.8259      0.00000
     80      14.1422      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6650      2.00000
      6     -39.6091      2.00000
      7     -39.5962      2.00000
      8      -1.7362      2.00000
      9      -0.6610      2.00000
     10       0.0182      2.00000
     11       0.2316      2.00000
     12       0.3266      2.00000
     13       0.3388      2.00000
     14       0.4135      2.00000
     15       0.6303      2.00000
     16       0.6391      2.00000
     17       0.7236      2.00000
     18       0.8159      2.00000
     19       0.8778      2.00000
     20       0.9627      2.00000
     21       1.0203      2.00000
     22       1.0852      2.00000
     23       1.1497      2.00000
     24       1.2279      2.00000
     25       1.2531      2.00000
     26       1.3347      2.00000
     27       1.4038      2.00000
     28       1.4373      2.00000
     29       1.6025      2.00000
     30       1.6796      2.00000
     31       1.7205      2.00000
     32       1.8168      2.00000
     33       1.8695      2.00000
     34       1.9451      2.00000
     35       2.1150      2.00000
     36       2.1910      2.00000
     37       2.2461      2.00000
     38       2.2931      2.00000
     39       2.3906      2.00000
     40       2.5014      2.00000
     41       2.5323      2.00000
     42       2.5960      2.00000
     43       2.7113      2.00000
     44       2.7474      2.00000
     45       2.7863      2.00000
     46       2.8791      2.00000
     47       2.9580      2.00000
     48       2.9905      2.00000
     49       3.1007      2.00000
     50       3.1489      2.00000
     51       3.2024      2.00000
     52       3.2768      2.00000
     53       3.4227      2.00000
     54       3.6161      2.00000
     55       3.7685      2.00000
     56       3.9334      2.00000
     57       4.1444      2.00000
     58       4.5094      2.00000
     59       5.2277      2.00000
     60       6.0508      0.59757
     61       6.5714     -0.00042
     62       6.9937     -0.00000
     63       7.7706     -0.00000
     64       8.0434     -0.00000
     65       8.4063     -0.00000
     66       8.7124     -0.00000
     67       9.6683     -0.00000
     68      10.4571     -0.00000
     69      10.8731     -0.00000
     70      11.0265     -0.00000
     71      11.2616     -0.00000
     72      12.4762      0.00000
     73      12.8234      0.00000
     74      13.0018      0.00000
     75      13.1674      0.00000
     76      13.4645      0.00000
     77      13.5422      0.00000
     78      13.9252      0.00000
     79      14.3233      0.00000
     80      14.4583      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9272      2.00000
      2     -39.9203      2.00000
      3     -39.8240      2.00000
      4     -39.6654      2.00000
      5     -39.6649      2.00000
      6     -39.6098      2.00000
      7     -39.5954      2.00000
      8      -1.8474      2.00000
      9      -0.9234      2.00000
     10       0.0446      2.00000
     11       0.1715      2.00000
     12       0.2008      2.00000
     13       0.3003      2.00000
     14       0.4202      2.00000
     15       0.5982      2.00000
     16       0.6195      2.00000
     17       0.6279      2.00000
     18       0.6921      2.00000
     19       0.7281      2.00000
     20       0.8475      2.00000
     21       0.9512      2.00000
     22       1.0838      2.00000
     23       1.0983      2.00000
     24       1.2035      2.00000
     25       1.2639      2.00000
     26       1.3466      2.00000
     27       1.3688      2.00000
     28       1.5502      2.00000
     29       1.6475      2.00000
     30       1.6902      2.00000
     31       1.7072      2.00000
     32       1.8005      2.00000
     33       1.8534      2.00000
     34       1.8853      2.00000
     35       2.1162      2.00000
     36       2.2080      2.00000
     37       2.2421      2.00000
     38       2.3693      2.00000
     39       2.4214      2.00000
     40       2.5269      2.00000
     41       2.5704      2.00000
     42       2.6119      2.00000
     43       2.6664      2.00000
     44       2.8373      2.00000
     45       2.8605      2.00000
     46       2.9785      2.00000
     47       3.0396      2.00000
     48       3.0490      2.00000
     49       3.1253      2.00000
     50       3.1690      2.00000
     51       3.2439      2.00000
     52       3.3063      2.00000
     53       3.5182      2.00000
     54       3.6275      2.00000
     55       3.9064      2.00000
     56       3.9327      2.00000
     57       4.1881      2.00000
     58       4.3863      2.00000
     59       5.0103      2.00000
     60       5.6404      2.02841
     61       6.2408     -0.07065
     62       7.6959     -0.00000
     63       8.2604     -0.00000
     64       8.5851     -0.00000
     65       8.6023     -0.00000
     66       9.7254     -0.00000
     67      10.3305     -0.00000
     68      10.5774     -0.00000
     69      10.7782     -0.00000
     70      11.2516     -0.00000
     71      11.6797      0.00000
     72      12.4650      0.00000
     73      12.7341      0.00000
     74      12.7842      0.00000
     75      13.1576      0.00000
     76      13.2453      0.00000
     77      13.6865      0.00000
     78      14.3890      0.00000
     79      14.4653      0.00000
     80      14.4990      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6650      2.00000
      6     -39.6091      2.00000
      7     -39.5961      2.00000
      8      -1.6489      2.00000
      9      -0.6392      2.00000
     10      -0.2047      2.00000
     11       0.2490      2.00000
     12       0.2917      2.00000
     13       0.4364      2.00000
     14       0.4465      2.00000
     15       0.5887      2.00000
     16       0.6393      2.00000
     17       0.7332      2.00000
     18       0.7842      2.00000
     19       0.8803      2.00000
     20       0.9377      2.00000
     21       0.9819      2.00000
     22       1.0824      2.00000
     23       1.1435      2.00000
     24       1.1703      2.00000
     25       1.2480      2.00000
     26       1.3613      2.00000
     27       1.3745      2.00000
     28       1.4932      2.00000
     29       1.6224      2.00000
     30       1.6422      2.00000
     31       1.7397      2.00000
     32       1.8717      2.00000
     33       1.8863      2.00000
     34       1.9901      2.00000
     35       2.0661      2.00000
     36       2.1754      2.00000
     37       2.2291      2.00000
     38       2.3126      2.00000
     39       2.3939      2.00000
     40       2.4644      2.00000
     41       2.5608      2.00000
     42       2.6143      2.00000
     43       2.7087      2.00000
     44       2.7589      2.00000
     45       2.8134      2.00000
     46       2.8439      2.00000
     47       2.9152      2.00000
     48       3.0115      2.00000
     49       3.0807      2.00000
     50       3.1403      2.00000
     51       3.2028      2.00000
     52       3.2443      2.00000
     53       3.5336      2.00000
     54       3.6606      2.00000
     55       3.7305      2.00000
     56       3.7920      2.00000
     57       4.0649      2.00000
     58       4.9547      2.00000
     59       5.0600      2.00000
     60       5.8327      2.00121
     61       6.7833     -0.00000
     62       7.1900     -0.00000
     63       7.7249     -0.00000
     64       8.6578     -0.00000
     65       8.8957     -0.00000
     66       9.2122     -0.00000
     67       9.4410     -0.00000
     68       9.5850     -0.00000
     69       9.7696     -0.00000
     70      10.9637     -0.00000
     71      11.5294      0.00000
     72      12.1046      0.00000
     73      12.2926      0.00000
     74      12.4499      0.00000
     75      13.1289      0.00000
     76      13.3146      0.00000
     77      13.6309      0.00000
     78      14.0670      0.00000
     79      14.3843      0.00000
     80      14.5172      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5981      2.00000
      8      -1.0709      2.00000
      9      -0.2648      2.00000
     10      -0.2020      2.00000
     11       0.2642      2.00000
     12       0.4295      2.00000
     13       0.5266      2.00000
     14       0.5626      2.00000
     15       0.6855      2.00000
     16       0.7883      2.00000
     17       0.8384      2.00000
     18       0.9101      2.00000
     19       1.0088      2.00000
     20       1.0934      2.00000
     21       1.0985      2.00000
     22       1.1373      2.00000
     23       1.1987      2.00000
     24       1.2337      2.00000
     25       1.2845      2.00000
     26       1.3546      2.00000
     27       1.4943      2.00000
     28       1.5798      2.00000
     29       1.6333      2.00000
     30       1.6572      2.00000
     31       1.8176      2.00000
     32       1.8359      2.00000
     33       1.9888      2.00000
     34       1.9953      2.00000
     35       2.0549      2.00000
     36       2.1691      2.00000
     37       2.1980      2.00000
     38       2.2391      2.00000
     39       2.2902      2.00000
     40       2.3581      2.00000
     41       2.5057      2.00000
     42       2.6179      2.00000
     43       2.6446      2.00000
     44       2.7138      2.00000
     45       2.7524      2.00000
     46       2.7885      2.00000
     47       2.8337      2.00000
     48       2.9144      2.00000
     49       2.9508      2.00000
     50       3.0867      2.00000
     51       3.1101      2.00000
     52       3.2005      2.00000
     53       3.4010      2.00000
     54       3.4837      2.00000
     55       3.5731      2.00000
     56       3.6733      2.00000
     57       4.3973      2.00000
     58       4.7925      2.00000
     59       5.4016      2.00019
     60       5.9635      1.31598
     61       6.5815     -0.00032
     62       6.9502     -0.00000
     63       7.0023     -0.00000
     64       7.3217     -0.00000
     65       8.2457     -0.00000
     66       8.5007     -0.00000
     67       8.7821     -0.00000
     68       9.3363     -0.00000
     69       9.9661     -0.00000
     70      10.1901     -0.00000
     71      10.3362     -0.00000
     72      11.0741     -0.00000
     73      11.7430      0.00000
     74      12.1300      0.00000
     75      12.2653      0.00000
     76      12.9619      0.00000
     77      13.7289      0.00000
     78      13.8390      0.00000
     79      14.1138      0.00000
     80      14.2341      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6648      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3608      2.00000
      9      -0.1354      2.00000
     10       0.0773      2.00000
     11       0.1518      2.00000
     12       0.4572      2.00000
     13       0.5668      2.00000
     14       0.6347      2.00000
     15       0.6909      2.00000
     16       0.7412      2.00000
     17       0.8892      2.00000
     18       0.9488      2.00000
     19       1.0656      2.00000
     20       1.1464      2.00000
     21       1.1839      2.00000
     22       1.2092      2.00000
     23       1.3213      2.00000
     24       1.3775      2.00000
     25       1.4736      2.00000
     26       1.5295      2.00000
     27       1.5645      2.00000
     28       1.6354      2.00000
     29       1.7026      2.00000
     30       1.7817      2.00000
     31       1.8464      2.00000
     32       1.9053      2.00000
     33       1.9339      2.00000
     34       2.0813      2.00000
     35       2.1411      2.00000
     36       2.1518      2.00000
     37       2.2355      2.00000
     38       2.2531      2.00000
     39       2.3240      2.00000
     40       2.3669      2.00000
     41       2.4070      2.00000
     42       2.5079      2.00000
     43       2.5631      2.00000
     44       2.5861      2.00000
     45       2.6043      2.00000
     46       2.6734      2.00000
     47       2.7681      2.00000
     48       2.7807      2.00000
     49       2.8641      2.00000
     50       3.0612      2.00000
     51       3.1196      2.00000
     52       3.1747      2.00000
     53       3.3483      2.00000
     54       3.5200      2.00000
     55       3.6130      2.00000
     56       3.8790      2.00000
     57       4.3641      2.00000
     58       4.7233      2.00000
     59       5.0818      2.00000
     60       5.6134      2.01926
     61       5.6769      2.04393
     62       6.1540      0.04073
     63       6.6298     -0.00008
     64       6.9777     -0.00000
     65       7.5011     -0.00000
     66       7.8575     -0.00000
     67       8.9956     -0.00000
     68       9.5616     -0.00000
     69       9.8811     -0.00000
     70      10.0661     -0.00000
     71      10.5067     -0.00000
     72      10.6962     -0.00000
     73      11.0883     -0.00000
     74      11.6229      0.00000
     75      12.2452      0.00000
     76      13.0090      0.00000
     77      13.1706      0.00000
     78      13.8640      0.00000
     79      13.8824      0.00000
     80      14.0434      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4469      2.00000
      9      -0.1408      2.00000
     10      -0.0059      2.00000
     11       0.1329      2.00000
     12       0.5366      2.00000
     13       0.5748      2.00000
     14       0.6440      2.00000
     15       0.7522      2.00000
     16       0.8625      2.00000
     17       0.9493      2.00000
     18       1.0034      2.00000
     19       1.0559      2.00000
     20       1.1131      2.00000
     21       1.1704      2.00000
     22       1.2175      2.00000
     23       1.3131      2.00000
     24       1.3891      2.00000
     25       1.4748      2.00000
     26       1.4996      2.00000
     27       1.5505      2.00000
     28       1.5994      2.00000
     29       1.7085      2.00000
     30       1.7507      2.00000
     31       1.7898      2.00000
     32       1.8885      2.00000
     33       1.9495      2.00000
     34       1.9635      2.00000
     35       2.0459      2.00000
     36       2.1756      2.00000
     37       2.1860      2.00000
     38       2.2806      2.00000
     39       2.3132      2.00000
     40       2.3474      2.00000
     41       2.4663      2.00000
     42       2.4892      2.00000
     43       2.5737      2.00000
     44       2.6085      2.00000
     45       2.6716      2.00000
     46       2.7668      2.00000
     47       2.7906      2.00000
     48       2.8062      2.00000
     49       2.8876      2.00000
     50       3.1148      2.00000
     51       3.1677      2.00000
     52       3.2217      2.00000
     53       3.5001      2.00000
     54       3.5579      2.00000
     55       3.6758      2.00000
     56       3.8582      2.00000
     57       4.4166      2.00000
     58       4.5807      2.00000
     59       4.9830      2.00000
     60       5.3981      2.00017
     61       5.7043      2.05650
     62       5.8253      2.01612
     63       6.6844     -0.00002
     64       6.9734     -0.00000
     65       7.2956     -0.00000
     66       7.5263     -0.00000
     67       9.0097     -0.00000
     68       9.3554     -0.00000
     69      10.0904     -0.00000
     70      10.5254     -0.00000
     71      10.8969     -0.00000
     72      11.1848     -0.00000
     73      11.3991     -0.00000
     74      11.7052      0.00000
     75      11.9593      0.00000
     76      12.6274      0.00000
     77      13.4538      0.00000
     78      13.5955      0.00000
     79      14.0686      0.00000
     80      14.1460      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.1303      2.00000
      9      -0.5326      2.00000
     10       0.1140      2.00000
     11       0.1306      2.00000
     12       0.5038      2.00000
     13       0.5918      2.00000
     14       0.6483      2.00000
     15       0.6903      2.00000
     16       0.7960      2.00000
     17       0.8233      2.00000
     18       0.8474      2.00000
     19       0.9409      2.00000
     20       1.0985      2.00000
     21       1.1378      2.00000
     22       1.1781      2.00000
     23       1.2031      2.00000
     24       1.3126      2.00000
     25       1.3722      2.00000
     26       1.4011      2.00000
     27       1.4446      2.00000
     28       1.5128      2.00000
     29       1.5595      2.00000
     30       1.6869      2.00000
     31       1.7318      2.00000
     32       1.8708      2.00000
     33       1.9105      2.00000
     34       1.9678      2.00000
     35       2.1135      2.00000
     36       2.1555      2.00000
     37       2.2266      2.00000
     38       2.2775      2.00000
     39       2.3425      2.00000
     40       2.4158      2.00000
     41       2.5049      2.00000
     42       2.5633      2.00000
     43       2.6562      2.00000
     44       2.6834      2.00000
     45       2.7646      2.00000
     46       2.7927      2.00000
     47       2.8378      2.00000
     48       2.8956      2.00000
     49       2.9479      2.00000
     50       3.0704      2.00000
     51       3.1111      2.00000
     52       3.2080      2.00000
     53       3.3409      2.00000
     54       3.5020      2.00000
     55       3.6919      2.00000
     56       4.1171      2.00000
     57       4.5679      2.00000
     58       4.9816      2.00000
     59       5.3262      2.00002
     60       5.6591      2.03601
     61       6.0076      0.94907
     62       6.2015     -0.05015
     63       6.6889     -0.00001
     64       7.1548     -0.00000
     65       7.6504     -0.00000
     66       8.7664     -0.00000
     67       8.9001     -0.00000
     68       9.3524     -0.00000
     69      10.3514     -0.00000
     70      10.5679     -0.00000
     71      11.0371     -0.00000
     72      11.6050      0.00000
     73      12.1676      0.00000
     74      12.4715      0.00000
     75      12.8048      0.00000
     76      13.3259      0.00000
     77      13.5537      0.00000
     78      14.0623      0.00000
     79      14.1821      0.00000
     80      14.4437      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6649      2.00000
      6     -39.6091      2.00000
      7     -39.5962      2.00000
      8      -1.6483      2.00000
      9      -0.8842      2.00000
     10       0.1460      2.00000
     11       0.2556      2.00000
     12       0.3120      2.00000
     13       0.3274      2.00000
     14       0.4093      2.00000
     15       0.6184      2.00000
     16       0.6471      2.00000
     17       0.6724      2.00000
     18       0.7595      2.00000
     19       0.8565      2.00000
     20       0.9395      2.00000
     21       1.0591      2.00000
     22       1.1222      2.00000
     23       1.1793      2.00000
     24       1.2172      2.00000
     25       1.2769      2.00000
     26       1.3718      2.00000
     27       1.3961      2.00000
     28       1.4777      2.00000
     29       1.5886      2.00000
     30       1.6888      2.00000
     31       1.7366      2.00000
     32       1.8371      2.00000
     33       1.8475      2.00000
     34       2.0204      2.00000
     35       2.1520      2.00000
     36       2.1818      2.00000
     37       2.2181      2.00000
     38       2.2530      2.00000
     39       2.3633      2.00000
     40       2.4296      2.00000
     41       2.4966      2.00000
     42       2.6168      2.00000
     43       2.6478      2.00000
     44       2.7707      2.00000
     45       2.8134      2.00000
     46       2.8660      2.00000
     47       2.9369      2.00000
     48       2.9873      2.00000
     49       3.1067      2.00000
     50       3.1640      2.00000
     51       3.2066      2.00000
     52       3.2839      2.00000
     53       3.4729      2.00000
     54       3.7016      2.00000
     55       3.9164      2.00000
     56       3.9441      2.00000
     57       4.1803      2.00000
     58       4.5722      2.00000
     59       5.0598      2.00000
     60       5.6496      2.03202
     61       6.7878     -0.00000
     62       7.3546     -0.00000
     63       7.6620     -0.00000
     64       8.2456     -0.00000
     65       8.4473     -0.00000
     66       8.5239     -0.00000
     67       8.9629     -0.00000
     68       9.1773     -0.00000
     69      11.3346     -0.00000
     70      12.1148      0.00000
     71      12.4230      0.00000
     72      12.6543      0.00000
     73      12.7567      0.00000
     74      13.1074      0.00000
     75      13.2375      0.00000
     76      13.5052      0.00000
     77      13.6741      0.00000
     78      13.7566      0.00000
     79      13.8643      0.00000
     80      14.0477      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9271      2.00000
      2     -39.9203      2.00000
      3     -39.8240      2.00000
      4     -39.6654      2.00000
      5     -39.6650      2.00000
      6     -39.6099      2.00000
      7     -39.5954      2.00000
      8      -1.6549      2.00000
      9      -0.7777      2.00000
     10      -0.5819      2.00000
     11       0.0829      2.00000
     12       0.2663      2.00000
     13       0.3787      2.00000
     14       0.4037      2.00000
     15       0.5557      2.00000
     16       0.6356      2.00000
     17       0.7416      2.00000
     18       0.7486      2.00000
     19       0.8321      2.00000
     20       0.8921      2.00000
     21       0.9233      2.00000
     22       1.0450      2.00000
     23       1.1049      2.00000
     24       1.1299      2.00000
     25       1.2283      2.00000
     26       1.3187      2.00000
     27       1.3543      2.00000
     28       1.4843      2.00000
     29       1.5940      2.00000
     30       1.6130      2.00000
     31       1.7751      2.00000
     32       1.8922      2.00000
     33       1.9061      2.00000
     34       2.0881      2.00000
     35       2.1418      2.00000
     36       2.2145      2.00000
     37       2.3451      2.00000
     38       2.4320      2.00000
     39       2.4547      2.00000
     40       2.4589      2.00000
     41       2.5370      2.00000
     42       2.6071      2.00000
     43       2.6719      2.00000
     44       2.7032      2.00000
     45       2.8027      2.00000
     46       2.8538      2.00000
     47       2.9396      2.00000
     48       2.9647      2.00000
     49       3.1410      2.00000
     50       3.2167      2.00000
     51       3.3052      2.00000
     52       3.3369      2.00000
     53       3.4329      2.00000
     54       3.5266      2.00000
     55       3.6976      2.00000
     56       3.7326      2.00000
     57       3.9788      2.00000
     58       4.1703      2.00000
     59       5.7910      2.05962
     60       7.2281     -0.00000
     61       7.3803     -0.00000
     62       7.4581     -0.00000
     63       7.7416     -0.00000
     64       8.3071     -0.00000
     65       8.7440     -0.00000
     66       9.2845     -0.00000
     67       9.8941     -0.00000
     68      10.4683     -0.00000
     69      10.6411     -0.00000
     70      11.1353     -0.00000
     71      11.2028     -0.00000
     72      11.3986     -0.00000
     73      12.4232      0.00000
     74      12.9260      0.00000
     75      13.1237      0.00000
     76      13.1493      0.00000
     77      13.3661      0.00000
     78      13.8199      0.00000
     79      13.8390      0.00000
     80      14.5960      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6649      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.3865      2.00000
      9      -0.7713      2.00000
     10      -0.3922      2.00000
     11       0.1205      2.00000
     12       0.1978      2.00000
     13       0.4780      2.00000
     14       0.5389      2.00000
     15       0.6311      2.00000
     16       0.6495      2.00000
     17       0.7442      2.00000
     18       0.7624      2.00000
     19       0.9215      2.00000
     20       0.9534      2.00000
     21       0.9932      2.00000
     22       0.9974      2.00000
     23       1.1039      2.00000
     24       1.1670      2.00000
     25       1.1872      2.00000
     26       1.3265      2.00000
     27       1.3546      2.00000
     28       1.5551      2.00000
     29       1.6117      2.00000
     30       1.7212      2.00000
     31       1.7578      2.00000
     32       1.8257      2.00000
     33       1.9614      2.00000
     34       2.0093      2.00000
     35       2.0400      2.00000
     36       2.1438      2.00000
     37       2.2743      2.00000
     38       2.2798      2.00000
     39       2.3527      2.00000
     40       2.5183      2.00000
     41       2.5492      2.00000
     42       2.6373      2.00000
     43       2.6934      2.00000
     44       2.7326      2.00000
     45       2.7895      2.00000
     46       2.8789      2.00000
     47       2.9118      2.00000
     48       3.0002      2.00000
     49       3.0931      2.00000
     50       3.1366      2.00000
     51       3.2240      2.00000
     52       3.3408      2.00000
     53       3.3586      2.00000
     54       3.5546      2.00000
     55       3.7689      2.00000
     56       3.8315      2.00000
     57       3.9729      2.00000
     58       4.2112      2.00000
     59       6.1800     -0.02000
     60       6.4892     -0.00305
     61       7.3701     -0.00000
     62       7.7277     -0.00000
     63       7.8968     -0.00000
     64       8.3446     -0.00000
     65       8.5678     -0.00000
     66       8.7927     -0.00000
     67       8.8533     -0.00000
     68       9.6760     -0.00000
     69      10.1875     -0.00000
     70      10.6044     -0.00000
     71      10.7312     -0.00000
     72      11.0935     -0.00000
     73      11.8544      0.00000
     74      12.2942      0.00000
     75      12.6172      0.00000
     76      13.1533      0.00000
     77      13.5829      0.00000
     78      13.9388      0.00000
     79      14.2398      0.00000
     80      14.6277      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9257      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6073      2.00000
      7     -39.5981      2.00000
      8      -0.9022      2.00000
      9      -0.3781      2.00000
     10      -0.0315      2.00000
     11       0.0673      2.00000
     12       0.4453      2.00000
     13       0.4992      2.00000
     14       0.6003      2.00000
     15       0.6949      2.00000
     16       0.7556      2.00000
     17       0.7655      2.00000
     18       0.8250      2.00000
     19       0.8927      2.00000
     20       1.0009      2.00000
     21       1.0312      2.00000
     22       1.1531      2.00000
     23       1.2382      2.00000
     24       1.2901      2.00000
     25       1.3818      2.00000
     26       1.4197      2.00000
     27       1.4963      2.00000
     28       1.6076      2.00000
     29       1.6598      2.00000
     30       1.7212      2.00000
     31       1.7816      2.00000
     32       1.8319      2.00000
     33       1.9162      2.00000
     34       1.9794      2.00000
     35       2.0216      2.00000
     36       2.0613      2.00000
     37       2.2075      2.00000
     38       2.2514      2.00000
     39       2.2842      2.00000
     40       2.3960      2.00000
     41       2.5443      2.00000
     42       2.6095      2.00000
     43       2.6200      2.00000
     44       2.6968      2.00000
     45       2.7270      2.00000
     46       2.8258      2.00000
     47       2.8664      2.00000
     48       2.8912      2.00000
     49       2.9249      2.00000
     50       3.0299      2.00000
     51       3.1261      2.00000
     52       3.2961      2.00000
     53       3.3281      2.00000
     54       3.4727      2.00000
     55       3.5564      2.00000
     56       3.7437      2.00000
     57       4.3926      2.00000
     58       5.2222      2.00000
     59       5.2702      2.00000
     60       5.9264      1.58914
     61       7.0670     -0.00000
     62       7.1800     -0.00000
     63       7.3252     -0.00000
     64       7.4372     -0.00000
     65       8.1197     -0.00000
     66       8.3748     -0.00000
     67       8.5972     -0.00000
     68       9.0013     -0.00000
     69       9.2861     -0.00000
     70       9.7895     -0.00000
     71      10.7947     -0.00000
     72      10.9974     -0.00000
     73      11.2836     -0.00000
     74      11.6374      0.00000
     75      12.4704      0.00000
     76      13.1178      0.00000
     77      13.3555      0.00000
     78      13.6524      0.00000
     79      13.9118      0.00000
     80      14.1692      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3877      2.00000
      9      -0.0666      2.00000
     10       0.1079      2.00000
     11       0.1588      2.00000
     12       0.4571      2.00000
     13       0.4949      2.00000
     14       0.5510      2.00000
     15       0.6811      2.00000
     16       0.7855      2.00000
     17       0.9104      2.00000
     18       0.9435      2.00000
     19       1.1161      2.00000
     20       1.1700      2.00000
     21       1.2073      2.00000
     22       1.2316      2.00000
     23       1.3291      2.00000
     24       1.4105      2.00000
     25       1.4374      2.00000
     26       1.4939      2.00000
     27       1.5611      2.00000
     28       1.6241      2.00000
     29       1.6570      2.00000
     30       1.7169      2.00000
     31       1.8234      2.00000
     32       1.9003      2.00000
     33       1.9586      2.00000
     34       2.0277      2.00000
     35       2.1040      2.00000
     36       2.1130      2.00000
     37       2.1929      2.00000
     38       2.2841      2.00000
     39       2.3079      2.00000
     40       2.3463      2.00000
     41       2.4557      2.00000
     42       2.5154      2.00000
     43       2.5390      2.00000
     44       2.6187      2.00000
     45       2.6925      2.00000
     46       2.7284      2.00000
     47       2.8116      2.00000
     48       2.8306      2.00000
     49       2.9403      2.00000
     50       3.0648      2.00000
     51       3.1714      2.00000
     52       3.2756      2.00000
     53       3.3366      2.00000
     54       3.4558      2.00000
     55       3.5779      2.00000
     56       3.7745      2.00000
     57       4.0685      2.00000
     58       4.2758      2.00000
     59       5.4595      2.00086
     60       5.8400      1.98412
     61       6.0050      0.97115
     62       6.3001     -0.05597
     63       6.7299     -0.00000
     64       7.1505     -0.00000
     65       7.6215     -0.00000
     66       8.0408     -0.00000
     67       8.2849     -0.00000
     68       8.8667     -0.00000
     69       9.3976     -0.00000
     70      10.2465     -0.00000
     71      10.4283     -0.00000
     72      10.5330     -0.00000
     73      11.3106     -0.00000
     74      11.8404      0.00000
     75      12.1795      0.00000
     76      12.9120      0.00000
     77      13.0414      0.00000
     78      13.6569      0.00000
     79      13.9444      0.00000
     80      14.6276      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4438      2.00000
      9      -0.1401      2.00000
     10       0.0541      2.00000
     11       0.1367      2.00000
     12       0.4991      2.00000
     13       0.5323      2.00000
     14       0.6378      2.00000
     15       0.7115      2.00000
     16       0.8971      2.00000
     17       0.9198      2.00000
     18       1.0330      2.00000
     19       1.0829      2.00000
     20       1.1360      2.00000
     21       1.1823      2.00000
     22       1.2494      2.00000
     23       1.2955      2.00000
     24       1.3875      2.00000
     25       1.4188      2.00000
     26       1.4629      2.00000
     27       1.5020      2.00000
     28       1.6569      2.00000
     29       1.6896      2.00000
     30       1.7405      2.00000
     31       1.7910      2.00000
     32       1.8694      2.00000
     33       1.9176      2.00000
     34       1.9913      2.00000
     35       2.0713      2.00000
     36       2.1788      2.00000
     37       2.2030      2.00000
     38       2.2705      2.00000
     39       2.3436      2.00000
     40       2.3618      2.00000
     41       2.4379      2.00000
     42       2.4954      2.00000
     43       2.5431      2.00000
     44       2.6506      2.00000
     45       2.6831      2.00000
     46       2.7333      2.00000
     47       2.8086      2.00000
     48       2.8691      2.00000
     49       2.8980      2.00000
     50       3.1045      2.00000
     51       3.1583      2.00000
     52       3.2417      2.00000
     53       3.4600      2.00000
     54       3.5512      2.00000
     55       3.5943      2.00000
     56       3.8874      2.00000
     57       4.3140      2.00000
     58       4.8511      2.00000
     59       4.9885      2.00000
     60       5.1836      2.00000
     61       5.5970      2.01482
     62       5.7798      2.06614
     63       6.7291     -0.00000
     64       7.1374     -0.00000
     65       7.7110     -0.00000
     66       7.8925     -0.00000
     67       8.6875     -0.00000
     68       9.4850     -0.00000
     69       9.9544     -0.00000
     70      10.1001     -0.00000
     71      10.4497     -0.00000
     72      10.5724     -0.00000
     73      11.1098     -0.00000
     74      11.7944      0.00000
     75      12.2458      0.00000
     76      12.6949      0.00000
     77      13.5862      0.00000
     78      14.0463      0.00000
     79      14.2499      0.00000
     80      14.5252      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.0764      2.00000
      9      -0.3571      2.00000
     10      -0.1086      2.00000
     11       0.2708      2.00000
     12       0.4394      2.00000
     13       0.5164      2.00000
     14       0.5470      2.00000
     15       0.6871      2.00000
     16       0.7860      2.00000
     17       0.8414      2.00000
     18       0.9173      2.00000
     19       0.9503      2.00000
     20       1.0466      2.00000
     21       1.0814      2.00000
     22       1.1736      2.00000
     23       1.2172      2.00000
     24       1.2709      2.00000
     25       1.3297      2.00000
     26       1.4161      2.00000
     27       1.4562      2.00000
     28       1.5495      2.00000
     29       1.6047      2.00000
     30       1.7720      2.00000
     31       1.8118      2.00000
     32       1.8458      2.00000
     33       1.9618      2.00000
     34       1.9869      2.00000
     35       2.0422      2.00000
     36       2.0995      2.00000
     37       2.1237      2.00000
     38       2.1986      2.00000
     39       2.3236      2.00000
     40       2.4191      2.00000
     41       2.4590      2.00000
     42       2.5947      2.00000
     43       2.6442      2.00000
     44       2.6737      2.00000
     45       2.7779      2.00000
     46       2.8035      2.00000
     47       2.8608      2.00000
     48       2.9228      2.00000
     49       2.9690      2.00000
     50       3.0725      2.00000
     51       3.1160      2.00000
     52       3.2284      2.00000
     53       3.3091      2.00000
     54       3.4391      2.00000
     55       3.6126      2.00000
     56       4.0648      2.00000
     57       4.2511      2.00000
     58       5.1687      2.00000
     59       5.7409      2.06920
     60       5.9077      1.70609
     61       6.0894      0.33038
     62       6.5426     -0.00088
     63       6.7779     -0.00000
     64       7.2390     -0.00000
     65       7.6530     -0.00000
     66       8.3353     -0.00000
     67       9.3157     -0.00000
     68       9.4880     -0.00000
     69       9.9657     -0.00000
     70      10.2353     -0.00000
     71      11.2945     -0.00000
     72      11.4465     -0.00000
     73      11.7823      0.00000
     74      11.9492      0.00000
     75      12.3063      0.00000
     76      12.7521      0.00000
     77      13.3646      0.00000
     78      13.6731      0.00000
     79      13.8138      0.00000
     80      14.2512      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6650      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.5513      2.00000
      9      -0.5358      2.00000
     10      -0.4619      2.00000
     11       0.2155      2.00000
     12       0.2378      2.00000
     13       0.4817      2.00000
     14       0.5236      2.00000
     15       0.5963      2.00000
     16       0.6361      2.00000
     17       0.6786      2.00000
     18       0.7998      2.00000
     19       0.9028      2.00000
     20       0.9482      2.00000
     21       0.9852      2.00000
     22       1.0177      2.00000
     23       1.1156      2.00000
     24       1.1609      2.00000
     25       1.2159      2.00000
     26       1.3924      2.00000
     27       1.4314      2.00000
     28       1.4815      2.00000
     29       1.5915      2.00000
     30       1.6357      2.00000
     31       1.7286      2.00000
     32       1.8616      2.00000
     33       1.8841      2.00000
     34       2.0070      2.00000
     35       2.0955      2.00000
     36       2.1975      2.00000
     37       2.2564      2.00000
     38       2.3424      2.00000
     39       2.3665      2.00000
     40       2.4368      2.00000
     41       2.5820      2.00000
     42       2.6619      2.00000
     43       2.6871      2.00000
     44       2.7291      2.00000
     45       2.8295      2.00000
     46       2.8576      2.00000
     47       2.8868      2.00000
     48       3.0428      2.00000
     49       3.0851      2.00000
     50       3.1613      2.00000
     51       3.2132      2.00000
     52       3.2177      2.00000
     53       3.5230      2.00000
     54       3.6028      2.00000
     55       3.6405      2.00000
     56       3.8261      2.00000
     57       3.9535      2.00000
     58       4.4985      2.00000
     59       5.6411      2.02867
     60       6.3500     -0.03351
     61       6.7055     -0.00001
     62       7.5331     -0.00000
     63       7.9065     -0.00000
     64       8.6489     -0.00000
     65       8.8484     -0.00000
     66       9.2171     -0.00000
     67       9.3931     -0.00000
     68       9.4824     -0.00000
     69       9.7724     -0.00000
     70      10.5403     -0.00000
     71      11.1590     -0.00000
     72      11.5246      0.00000
     73      11.9982      0.00000
     74      12.2335      0.00000
     75      12.9632      0.00000
     76      13.1749      0.00000
     77      13.3049      0.00000
     78      13.8595      0.00000
     79      14.5727      0.00000
     80      14.6823      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9272      2.00000
      2     -39.9203      2.00000
      3     -39.8240      2.00000
      4     -39.6655      2.00000
      5     -39.6649      2.00000
      6     -39.6099      2.00000
      7     -39.5954      2.00000
      8      -1.6021      2.00000
      9      -0.8268      2.00000
     10      -0.5531      2.00000
     11       0.0786      2.00000
     12       0.1478      2.00000
     13       0.3601      2.00000
     14       0.4060      2.00000
     15       0.5563      2.00000
     16       0.6467      2.00000
     17       0.7732      2.00000
     18       0.7928      2.00000
     19       0.8702      2.00000
     20       0.8735      2.00000
     21       0.9238      2.00000
     22       1.0127      2.00000
     23       1.0296      2.00000
     24       1.0763      2.00000
     25       1.2518      2.00000
     26       1.3037      2.00000
     27       1.3757      2.00000
     28       1.4744      2.00000
     29       1.6213      2.00000
     30       1.6648      2.00000
     31       1.7566      2.00000
     32       1.8365      2.00000
     33       1.9530      2.00000
     34       2.0061      2.00000
     35       2.1699      2.00000
     36       2.1990      2.00000
     37       2.3199      2.00000
     38       2.4191      2.00000
     39       2.4531      2.00000
     40       2.4615      2.00000
     41       2.5031      2.00000
     42       2.6142      2.00000
     43       2.6240      2.00000
     44       2.6509      2.00000
     45       2.8185      2.00000
     46       2.8347      2.00000
     47       2.9363      2.00000
     48       2.9403      2.00000
     49       2.9818      2.00000
     50       3.1828      2.00000
     51       3.2468      2.00000
     52       3.4318      2.00000
     53       3.5400      2.00000
     54       3.6356      2.00000
     55       3.9503      2.00000
     56       4.0876      2.00000
     57       4.1868      2.00000
     58       4.5847      2.00000
     59       5.8519      1.95148
     60       6.1754     -0.01136
     61       6.5889     -0.00027
     62       7.3616     -0.00000
     63       7.9623     -0.00000
     64       8.2023     -0.00000
     65       8.6992     -0.00000
     66       9.1185     -0.00000
     67       9.1460     -0.00000
     68      10.9747     -0.00000
     69      11.3972     -0.00000
     70      11.5702      0.00000
     71      11.8658      0.00000
     72      12.2613      0.00000
     73      12.6079      0.00000
     74      13.1648      0.00000
     75      13.1757      0.00000
     76      13.3073      0.00000
     77      13.3684      0.00000
     78      13.7937      0.00000
     79      13.8205      0.00000
     80      14.0319      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6654      2.00000
      5     -39.6649      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.3485      2.00000
      9      -0.6545      2.00000
     10      -0.5332      2.00000
     11       0.0532      2.00000
     12       0.1931      2.00000
     13       0.4732      2.00000
     14       0.5580      2.00000
     15       0.6294      2.00000
     16       0.6442      2.00000
     17       0.7532      2.00000
     18       0.7901      2.00000
     19       0.9097      2.00000
     20       0.9203      2.00000
     21       0.9522      2.00000
     22       0.9829      2.00000
     23       1.0992      2.00000
     24       1.1297      2.00000
     25       1.1794      2.00000
     26       1.3767      2.00000
     27       1.4276      2.00000
     28       1.5940      2.00000
     29       1.6113      2.00000
     30       1.6698      2.00000
     31       1.7161      2.00000
     32       1.7738      2.00000
     33       1.9279      2.00000
     34       2.0226      2.00000
     35       2.0687      2.00000
     36       2.1883      2.00000
     37       2.2066      2.00000
     38       2.2745      2.00000
     39       2.4463      2.00000
     40       2.4768      2.00000
     41       2.5234      2.00000
     42       2.6287      2.00000
     43       2.6671      2.00000
     44       2.7121      2.00000
     45       2.7404      2.00000
     46       2.8347      2.00000
     47       2.8839      2.00000
     48       2.9768      2.00000
     49       3.0579      2.00000
     50       3.1235      2.00000
     51       3.1636      2.00000
     52       3.3008      2.00000
     53       3.4250      2.00000
     54       3.5095      2.00000
     55       3.7516      2.00000
     56       3.8776      2.00000
     57       5.0172      2.00000
     58       5.1546      2.00000
     59       5.6487      2.03165
     60       6.0175      0.86582
     61       6.8210     -0.00000
     62       7.3296     -0.00000
     63       7.4758     -0.00000
     64       7.6699     -0.00000
     65       8.0957     -0.00000
     66       8.2125     -0.00000
     67       9.9967     -0.00000
     68      10.3297     -0.00000
     69      10.4940     -0.00000
     70      11.0523     -0.00000
     71      11.1360     -0.00000
     72      11.6206      0.00000
     73      12.3159      0.00000
     74      12.4210      0.00000
     75      12.9298      0.00000
     76      13.1530      0.00000
     77      13.6795      0.00000
     78      13.8233      0.00000
     79      14.0934      0.00000
     80      14.3711      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9257      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6073      2.00000
      7     -39.5981      2.00000
      8      -0.8932      2.00000
      9      -0.3584      2.00000
     10      -0.0442      2.00000
     11       0.0313      2.00000
     12       0.4743      2.00000
     13       0.5012      2.00000
     14       0.5846      2.00000
     15       0.6962      2.00000
     16       0.7397      2.00000
     17       0.7750      2.00000
     18       0.8306      2.00000
     19       0.8807      2.00000
     20       0.9982      2.00000
     21       1.0217      2.00000
     22       1.1294      2.00000
     23       1.2479      2.00000
     24       1.3381      2.00000
     25       1.3912      2.00000
     26       1.4677      2.00000
     27       1.5185      2.00000
     28       1.5533      2.00000
     29       1.5996      2.00000
     30       1.7504      2.00000
     31       1.7996      2.00000
     32       1.8654      2.00000
     33       1.9052      2.00000
     34       1.9650      2.00000
     35       2.0147      2.00000
     36       2.1118      2.00000
     37       2.1752      2.00000
     38       2.2224      2.00000
     39       2.2525      2.00000
     40       2.3164      2.00000
     41       2.5457      2.00000
     42       2.5948      2.00000
     43       2.6401      2.00000
     44       2.7148      2.00000
     45       2.7228      2.00000
     46       2.8412      2.00000
     47       2.8720      2.00000
     48       2.9094      2.00000
     49       2.9520      2.00000
     50       3.0403      2.00000
     51       3.1275      2.00000
     52       3.2656      2.00000
     53       3.3388      2.00000
     54       3.4018      2.00000
     55       3.4911      2.00000
     56       3.7060      2.00000
     57       4.6736      2.00000
     58       5.3914      2.00014
     59       5.6252      2.02297
     60       5.8197      2.02603
     61       6.7094     -0.00001
     62       6.9365     -0.00000
     63       7.0976     -0.00000
     64       7.2224     -0.00000
     65       8.4536     -0.00000
     66       8.5302     -0.00000
     67       8.6481     -0.00000
     68       8.8545     -0.00000
     69       9.2141     -0.00000
     70       9.6464     -0.00000
     71      10.9128     -0.00000
     72      11.0965     -0.00000
     73      11.3113     -0.00000
     74      11.8550      0.00000
     75      12.7418      0.00000
     76      13.0159      0.00000
     77      13.4826      0.00000
     78      13.7073      0.00000
     79      13.9956      0.00000
     80      14.3405      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3636      2.00000
      9      -0.1151      2.00000
     10       0.1031      2.00000
     11       0.1798      2.00000
     12       0.4647      2.00000
     13       0.5310      2.00000
     14       0.5875      2.00000
     15       0.6467      2.00000
     16       0.7504      2.00000
     17       0.9010      2.00000
     18       0.9501      2.00000
     19       1.0675      2.00000
     20       1.1508      2.00000
     21       1.1954      2.00000
     22       1.2342      2.00000
     23       1.3141      2.00000
     24       1.3972      2.00000
     25       1.4908      2.00000
     26       1.5060      2.00000
     27       1.5385      2.00000
     28       1.6231      2.00000
     29       1.7157      2.00000
     30       1.7408      2.00000
     31       1.8276      2.00000
     32       1.8960      2.00000
     33       1.9685      2.00000
     34       2.0377      2.00000
     35       2.1040      2.00000
     36       2.1736      2.00000
     37       2.2464      2.00000
     38       2.3000      2.00000
     39       2.3124      2.00000
     40       2.3678      2.00000
     41       2.4205      2.00000
     42       2.5223      2.00000
     43       2.5531      2.00000
     44       2.5686      2.00000
     45       2.6267      2.00000
     46       2.6937      2.00000
     47       2.7509      2.00000
     48       2.8037      2.00000
     49       2.9450      2.00000
     50       3.0374      2.00000
     51       3.1276      2.00000
     52       3.1753      2.00000
     53       3.3175      2.00000
     54       3.5224      2.00000
     55       3.5857      2.00000
     56       3.9457      2.00000
     57       4.1800      2.00000
     58       4.4104      2.00000
     59       5.2589      2.00000
     60       5.8216      2.02282
     61       5.9502      1.41946
     62       6.2322     -0.06918
     63       6.4553     -0.00611
     64       6.9580     -0.00000
     65       7.8344     -0.00000
     66       8.0378     -0.00000
     67       8.8141     -0.00000
     68       9.1576     -0.00000
     69       9.7070     -0.00000
     70       9.8026     -0.00000
     71      10.3375     -0.00000
     72      10.5641     -0.00000
     73      10.9808     -0.00000
     74      11.8201      0.00000
     75      12.5175      0.00000
     76      12.6697      0.00000
     77      13.2967      0.00000
     78      13.7173      0.00000
     79      14.3227      0.00000
     80      14.4137      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4367      2.00000
      9      -0.1318      2.00000
     10      -0.0088      2.00000
     11       0.1343      2.00000
     12       0.5494      2.00000
     13       0.5923      2.00000
     14       0.6526      2.00000
     15       0.7794      2.00000
     16       0.8001      2.00000
     17       0.9214      2.00000
     18       0.9710      2.00000
     19       1.0505      2.00000
     20       1.1152      2.00000
     21       1.1509      2.00000
     22       1.2369      2.00000
     23       1.3361      2.00000
     24       1.3860      2.00000
     25       1.4062      2.00000
     26       1.4849      2.00000
     27       1.5959      2.00000
     28       1.6661      2.00000
     29       1.7111      2.00000
     30       1.7687      2.00000
     31       1.8217      2.00000
     32       1.8825      2.00000
     33       1.8952      2.00000
     34       1.9933      2.00000
     35       2.1123      2.00000
     36       2.1782      2.00000
     37       2.2078      2.00000
     38       2.2434      2.00000
     39       2.2999      2.00000
     40       2.3815      2.00000
     41       2.4491      2.00000
     42       2.4894      2.00000
     43       2.5413      2.00000
     44       2.6158      2.00000
     45       2.6387      2.00000
     46       2.7215      2.00000
     47       2.7636      2.00000
     48       2.8158      2.00000
     49       2.8648      2.00000
     50       3.1279      2.00000
     51       3.1341      2.00000
     52       3.3360      2.00000
     53       3.4560      2.00000
     54       3.5656      2.00000
     55       3.5977      2.00000
     56       3.7577      2.00000
     57       4.3505      2.00000
     58       4.5463      2.00000
     59       5.1201      2.00000
     60       5.6036      2.01652
     61       5.7089      2.05847
     62       6.4164     -0.01250
     63       6.4933     -0.00278
     64       6.8313     -0.00000
     65       6.9705     -0.00000
     66       7.3626     -0.00000
     67       9.0852     -0.00000
     68       9.2812     -0.00000
     69      10.2507     -0.00000
     70      10.5631     -0.00000
     71      10.8629     -0.00000
     72      11.4706      0.00000
     73      11.5631      0.00000
     74      11.8335      0.00000
     75      12.1977      0.00000
     76      12.6346      0.00000
     77      12.9386      0.00000
     78      13.0889      0.00000
     79      13.8894      0.00000
     80      14.2384      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9258      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.1040      2.00000
      9      -0.3049      2.00000
     10      -0.1564      2.00000
     11       0.2355      2.00000
     12       0.4889      2.00000
     13       0.5518      2.00000
     14       0.5794      2.00000
     15       0.6607      2.00000
     16       0.7705      2.00000
     17       0.8580      2.00000
     18       0.9283      2.00000
     19       1.0218      2.00000
     20       1.0902      2.00000
     21       1.1243      2.00000
     22       1.1646      2.00000
     23       1.1880      2.00000
     24       1.2247      2.00000
     25       1.2615      2.00000
     26       1.3542      2.00000
     27       1.4858      2.00000
     28       1.5485      2.00000
     29       1.6371      2.00000
     30       1.6813      2.00000
     31       1.7911      2.00000
     32       1.8356      2.00000
     33       1.9580      2.00000
     34       2.0281      2.00000
     35       2.0923      2.00000
     36       2.1577      2.00000
     37       2.2172      2.00000
     38       2.2359      2.00000
     39       2.2931      2.00000
     40       2.3304      2.00000
     41       2.5223      2.00000
     42       2.6085      2.00000
     43       2.6345      2.00000
     44       2.7045      2.00000
     45       2.7312      2.00000
     46       2.7732      2.00000
     47       2.8098      2.00000
     48       2.9299      2.00000
     49       2.9900      2.00000
     50       3.0571      2.00000
     51       3.1290      2.00000
     52       3.2011      2.00000
     53       3.4150      2.00000
     54       3.4546      2.00000
     55       3.5540      2.00000
     56       3.7080      2.00000
     57       4.5189      2.00000
     58       4.7689      2.00000
     59       5.3716      2.00008
     60       5.9348      1.53186
     61       6.4579     -0.00581
     62       6.7929     -0.00000
     63       7.1083     -0.00000
     64       7.3690     -0.00000
     65       7.9931     -0.00000
     66       8.6391     -0.00000
     67       8.7626     -0.00000
     68       9.3972     -0.00000
     69       9.8371     -0.00000
     70       9.9251     -0.00000
     71      10.6115     -0.00000
     72      11.1649     -0.00000
     73      11.8772      0.00000
     74      12.2031      0.00000
     75      12.5795      0.00000
     76      13.2057      0.00000
     77      13.9610      0.00000
     78      14.0042      0.00000
     79      14.3459      0.00000
     80      14.4358      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6649      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.5402      2.00000
      9      -0.6258      2.00000
     10      -0.3635      2.00000
     11       0.1893      2.00000
     12       0.2391      2.00000
     13       0.4457      2.00000
     14       0.5240      2.00000
     15       0.5933      2.00000
     16       0.6308      2.00000
     17       0.6957      2.00000
     18       0.8114      2.00000
     19       0.9190      2.00000
     20       0.9459      2.00000
     21       0.9843      2.00000
     22       1.0499      2.00000
     23       1.1296      2.00000
     24       1.1548      2.00000
     25       1.2518      2.00000
     26       1.2698      2.00000
     27       1.3831      2.00000
     28       1.5906      2.00000
     29       1.6416      2.00000
     30       1.7053      2.00000
     31       1.7492      2.00000
     32       1.8190      2.00000
     33       1.8577      2.00000
     34       1.9877      2.00000
     35       2.0217      2.00000
     36       2.1142      2.00000
     37       2.3079      2.00000
     38       2.3431      2.00000
     39       2.4386      2.00000
     40       2.5122      2.00000
     41       2.5175      2.00000
     42       2.5917      2.00000
     43       2.6648      2.00000
     44       2.6830      2.00000
     45       2.7888      2.00000
     46       2.8336      2.00000
     47       2.8842      2.00000
     48       3.0454      2.00000
     49       3.0870      2.00000
     50       3.1915      2.00000
     51       3.2324      2.00000
     52       3.2935      2.00000
     53       3.3894      2.00000
     54       3.5745      2.00000
     55       3.7800      2.00000
     56       3.8016      2.00000
     57       3.9773      2.00000
     58       4.7222      2.00000
     59       5.6353      2.02647
     60       6.5204     -0.00151
     61       6.7930     -0.00000
     62       7.4524     -0.00000
     63       7.8704     -0.00000
     64       7.9327     -0.00000
     65       8.4036     -0.00000
     66       9.0262     -0.00000
     67       9.1898     -0.00000
     68       9.9974     -0.00000
     69      10.4884     -0.00000
     70      10.6725     -0.00000
     71      11.1073     -0.00000
     72      11.4535     -0.00000
     73      12.0826      0.00000
     74      12.6133      0.00000
     75      12.9954      0.00000
     76      13.3004      0.00000
     77      13.4713      0.00000
     78      13.8962      0.00000
     79      14.2691      0.00000
     80      14.4925      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9271      2.00000
      2     -39.9203      2.00000
      3     -39.8240      2.00000
      4     -39.6654      2.00000
      5     -39.6649      2.00000
      6     -39.6099      2.00000
      7     -39.5954      2.00000
      8      -1.5990      2.00000
      9      -0.7702      2.00000
     10      -0.6468      2.00000
     11       0.0750      2.00000
     12       0.1889      2.00000
     13       0.3553      2.00000
     14       0.4045      2.00000
     15       0.5728      2.00000
     16       0.6209      2.00000
     17       0.7367      2.00000
     18       0.7881      2.00000
     19       0.8450      2.00000
     20       0.9104      2.00000
     21       0.9304      2.00000
     22       1.0657      2.00000
     23       1.1151      2.00000
     24       1.1503      2.00000
     25       1.2423      2.00000
     26       1.2517      2.00000
     27       1.2654      2.00000
     28       1.4670      2.00000
     29       1.5934      2.00000
     30       1.6191      2.00000
     31       1.7479      2.00000
     32       1.7888      2.00000
     33       1.9110      2.00000
     34       2.1182      2.00000
     35       2.1538      2.00000
     36       2.3402      2.00000
     37       2.3492      2.00000
     38       2.3893      2.00000
     39       2.4257      2.00000
     40       2.4597      2.00000
     41       2.5286      2.00000
     42       2.6220      2.00000
     43       2.6425      2.00000
     44       2.7192      2.00000
     45       2.7917      2.00000
     46       2.8372      2.00000
     47       2.8830      2.00000
     48       2.9493      2.00000
     49       3.0246      2.00000
     50       3.1699      2.00000
     51       3.2142      2.00000
     52       3.3723      2.00000
     53       3.5787      2.00000
     54       3.6262      2.00000
     55       3.9434      2.00000
     56       4.0509      2.00000
     57       4.2015      2.00000
     58       4.5082      2.00000
     59       5.6984      2.05387
     60       6.2187     -0.06373
     61       6.6782     -0.00002
     62       7.5022     -0.00000
     63       7.8560     -0.00000
     64       8.0695     -0.00000
     65       8.7916     -0.00000
     66       9.3427     -0.00000
     67       9.6782     -0.00000
     68      10.7552     -0.00000
     69      10.8361     -0.00000
     70      11.4033     -0.00000
     71      11.9752      0.00000
     72      12.0437      0.00000
     73      12.4982      0.00000
     74      12.8858      0.00000
     75      12.9980      0.00000
     76      13.2589      0.00000
     77      13.3950      0.00000
     78      13.8444      0.00000
     79      13.9709      0.00000
     80      14.2937      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6653      2.00000
      5     -39.6649      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.3826      2.00000
      9      -0.7280      2.00000
     10      -0.4540      2.00000
     11       0.1231      2.00000
     12       0.1940      2.00000
     13       0.4848      2.00000
     14       0.5545      2.00000
     15       0.6380      2.00000
     16       0.6411      2.00000
     17       0.7507      2.00000
     18       0.7684      2.00000
     19       0.9294      2.00000
     20       0.9390      2.00000
     21       0.9525      2.00000
     22       0.9820      2.00000
     23       1.1188      2.00000
     24       1.1620      2.00000
     25       1.1838      2.00000
     26       1.3691      2.00000
     27       1.3804      2.00000
     28       1.5103      2.00000
     29       1.6140      2.00000
     30       1.6211      2.00000
     31       1.7951      2.00000
     32       1.8409      2.00000
     33       1.9562      2.00000
     34       1.9801      2.00000
     35       2.1577      2.00000
     36       2.1968      2.00000
     37       2.2213      2.00000
     38       2.2522      2.00000
     39       2.2986      2.00000
     40       2.5378      2.00000
     41       2.5696      2.00000
     42       2.6134      2.00000
     43       2.6835      2.00000
     44       2.7350      2.00000
     45       2.8040      2.00000
     46       2.8855      2.00000
     47       2.9580      2.00000
     48       2.9897      2.00000
     49       3.0939      2.00000
     50       3.1422      2.00000
     51       3.1972      2.00000
     52       3.2921      2.00000
     53       3.3924      2.00000
     54       3.5488      2.00000
     55       3.7324      2.00000
     56       3.8858      2.00000
     57       4.0097      2.00000
     58       4.3038      2.00000
     59       6.2092     -0.05723
     60       6.6426     -0.00006
     61       7.1077     -0.00000
     62       7.3211     -0.00000
     63       7.9769     -0.00000
     64       8.1829     -0.00000
     65       8.3633     -0.00000
     66       8.7750     -0.00000
     67       9.6022     -0.00000
     68       9.8300     -0.00000
     69      10.1322     -0.00000
     70      10.3108     -0.00000
     71      10.8372     -0.00000
     72      11.3126     -0.00000
     73      11.9954      0.00000
     74      12.1962      0.00000
     75      12.5976      0.00000
     76      13.1078      0.00000
     77      13.5061      0.00000
     78      13.7659      0.00000
     79      14.3028      0.00000
     80      14.5822      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9257      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6073      2.00000
      7     -39.5981      2.00000
      8      -0.9080      2.00000
      9      -0.4527      2.00000
     10       0.0560      2.00000
     11       0.1067      2.00000
     12       0.3989      2.00000
     13       0.5017      2.00000
     14       0.6470      2.00000
     15       0.6767      2.00000
     16       0.7391      2.00000
     17       0.7815      2.00000
     18       0.8239      2.00000
     19       0.9099      2.00000
     20       1.0206      2.00000
     21       1.0410      2.00000
     22       1.1196      2.00000
     23       1.2319      2.00000
     24       1.2691      2.00000
     25       1.2900      2.00000
     26       1.3829      2.00000
     27       1.4669      2.00000
     28       1.6729      2.00000
     29       1.7019      2.00000
     30       1.7887      2.00000
     31       1.8191      2.00000
     32       1.8486      2.00000
     33       1.9013      2.00000
     34       1.9645      2.00000
     35       1.9897      2.00000
     36       2.0276      2.00000
     37       2.2240      2.00000
     38       2.2946      2.00000
     39       2.3483      2.00000
     40       2.4745      2.00000
     41       2.5148      2.00000
     42       2.5614      2.00000
     43       2.6725      2.00000
     44       2.6924      2.00000
     45       2.7307      2.00000
     46       2.7527      2.00000
     47       2.8543      2.00000
     48       2.8737      2.00000
     49       2.9012      2.00000
     50       3.0700      2.00000
     51       3.1623      2.00000
     52       3.3260      2.00000
     53       3.3327      2.00000
     54       3.5759      2.00000
     55       3.7323      2.00000
     56       3.8099      2.00000
     57       4.0043      2.00000
     58       4.6242      2.00000
     59       4.7962      2.00000
     60       6.5601     -0.00057
     61       7.0246     -0.00000
     62       7.4897     -0.00000
     63       7.5943     -0.00000
     64       7.8078     -0.00000
     65       7.9958     -0.00000
     66       8.7250     -0.00000
     67       8.8916     -0.00000
     68       9.1638     -0.00000
     69       9.5745     -0.00000
     70       9.6033     -0.00000
     71       9.8067     -0.00000
     72      10.0873     -0.00000
     73      11.4569     -0.00000
     74      11.7552      0.00000
     75      11.8731      0.00000
     76      12.9877      0.00000
     77      13.3101      0.00000
     78      14.0006      0.00000
     79      14.2495      0.00000
     80      14.6322      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6648      2.00000
      6     -39.6044      2.00000
      7     -39.6011      2.00000
      8      -0.3597      2.00000
      9      -0.1162      2.00000
     10       0.1099      2.00000
     11       0.1570      2.00000
     12       0.4202      2.00000
     13       0.5380      2.00000
     14       0.6079      2.00000
     15       0.7020      2.00000
     16       0.7744      2.00000
     17       0.8902      2.00000
     18       0.9385      2.00000
     19       1.0703      2.00000
     20       1.1165      2.00000
     21       1.1841      2.00000
     22       1.2077      2.00000
     23       1.3411      2.00000
     24       1.3864      2.00000
     25       1.4471      2.00000
     26       1.5034      2.00000
     27       1.6584      2.00000
     28       1.6936      2.00000
     29       1.7257      2.00000
     30       1.7336      2.00000
     31       1.8320      2.00000
     32       1.8647      2.00000
     33       1.9325      2.00000
     34       2.0025      2.00000
     35       2.1163      2.00000
     36       2.1583      2.00000
     37       2.2418      2.00000
     38       2.2711      2.00000
     39       2.3443      2.00000
     40       2.3818      2.00000
     41       2.4285      2.00000
     42       2.5168      2.00000
     43       2.5647      2.00000
     44       2.5844      2.00000
     45       2.6334      2.00000
     46       2.6729      2.00000
     47       2.7227      2.00000
     48       2.7799      2.00000
     49       2.8616      2.00000
     50       3.0677      2.00000
     51       3.1157      2.00000
     52       3.1686      2.00000
     53       3.2127      2.00000
     54       3.4776      2.00000
     55       3.5839      2.00000
     56       3.9598      2.00000
     57       4.6178      2.00000
     58       4.6812      2.00000
     59       5.0960      2.00000
     60       5.6421      2.02904
     61       5.7540      2.07086
     62       6.0666      0.48097
     63       6.3565     -0.03089
     64       6.9280     -0.00000
     65       7.6440     -0.00000
     66       8.4363     -0.00000
     67       8.9770     -0.00000
     68       9.3334     -0.00000
     69       9.4584     -0.00000
     70       9.8008     -0.00000
     71      10.5964     -0.00000
     72      11.0376     -0.00000
     73      11.4129     -0.00000
     74      11.7035      0.00000
     75      12.0980      0.00000
     76      12.4591      0.00000
     77      12.7645      0.00000
     78      13.5881      0.00000
     79      13.9220      0.00000
     80      14.1603      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9228      2.00000
      3     -39.8234      2.00000
      4     -39.6651      2.00000
      5     -39.6649      2.00000
      6     -39.6043      2.00000
      7     -39.6011      2.00000
      8      -0.4238      2.00000
      9      -0.1822      2.00000
     10       0.0502      2.00000
     11       0.1403      2.00000
     12       0.5299      2.00000
     13       0.5858      2.00000
     14       0.6785      2.00000
     15       0.7474      2.00000
     16       0.7947      2.00000
     17       0.8730      2.00000
     18       0.9526      2.00000
     19       1.0897      2.00000
     20       1.1141      2.00000
     21       1.2023      2.00000
     22       1.2747      2.00000
     23       1.2918      2.00000
     24       1.3646      2.00000
     25       1.4064      2.00000
     26       1.4628      2.00000
     27       1.5471      2.00000
     28       1.6637      2.00000
     29       1.7399      2.00000
     30       1.7724      2.00000
     31       1.8257      2.00000
     32       1.8502      2.00000
     33       1.9548      2.00000
     34       2.0511      2.00000
     35       2.0796      2.00000
     36       2.1256      2.00000
     37       2.2364      2.00000
     38       2.2724      2.00000
     39       2.2764      2.00000
     40       2.4342      2.00000
     41       2.4607      2.00000
     42       2.4675      2.00000
     43       2.5453      2.00000
     44       2.6237      2.00000
     45       2.6390      2.00000
     46       2.7013      2.00000
     47       2.7829      2.00000
     48       2.7943      2.00000
     49       2.8712      2.00000
     50       3.0818      2.00000
     51       3.1622      2.00000
     52       3.2394      2.00000
     53       3.4657      2.00000
     54       3.5478      2.00000
     55       3.6423      2.00000
     56       4.0426      2.00000
     57       4.4935      2.00000
     58       4.5547      2.00000
     59       4.8278      2.00000
     60       5.1507      2.00000
     61       5.6432      2.02947
     62       6.1177      0.17776
     63       6.3774     -0.02319
     64       7.5476     -0.00000
     65       7.7086     -0.00000
     66       8.0220     -0.00000
     67       8.3846     -0.00000
     68       8.9500     -0.00000
     69       9.6512     -0.00000
     70      10.2561     -0.00000
     71      10.4335     -0.00000
     72      11.2580     -0.00000
     73      11.6561      0.00000
     74      12.2326      0.00000
     75      12.4684      0.00000
     76      12.5884      0.00000
     77      13.3832      0.00000
     78      13.6216      0.00000
     79      14.1532      0.00000
     80      14.2967      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9257      2.00000
      2     -39.9215      2.00000
      3     -39.8236      2.00000
      4     -39.6652      2.00000
      5     -39.6649      2.00000
      6     -39.6072      2.00000
      7     -39.5982      2.00000
      8      -1.0404      2.00000
      9      -0.4617      2.00000
     10      -0.0671      2.00000
     11       0.3301      2.00000
     12       0.4422      2.00000
     13       0.5184      2.00000
     14       0.5716      2.00000
     15       0.6487      2.00000
     16       0.7453      2.00000
     17       0.8184      2.00000
     18       0.9191      2.00000
     19       0.9887      2.00000
     20       1.0207      2.00000
     21       1.0979      2.00000
     22       1.1880      2.00000
     23       1.2091      2.00000
     24       1.3070      2.00000
     25       1.3444      2.00000
     26       1.3684      2.00000
     27       1.4388      2.00000
     28       1.5021      2.00000
     29       1.6048      2.00000
     30       1.7684      2.00000
     31       1.8407      2.00000
     32       1.8600      2.00000
     33       1.9207      2.00000
     34       1.9743      2.00000
     35       2.0330      2.00000
     36       2.1169      2.00000
     37       2.1815      2.00000
     38       2.2504      2.00000
     39       2.3244      2.00000
     40       2.4430      2.00000
     41       2.4826      2.00000
     42       2.4955      2.00000
     43       2.6385      2.00000
     44       2.6698      2.00000
     45       2.7544      2.00000
     46       2.7944      2.00000
     47       2.8412      2.00000
     48       2.9212      2.00000
     49       3.0157      2.00000
     50       3.0724      2.00000
     51       3.1388      2.00000
     52       3.2189      2.00000
     53       3.3080      2.00000
     54       3.4757      2.00000
     55       3.6367      2.00000
     56       3.8366      2.00000
     57       4.7554      2.00000
     58       5.2100      2.00000
     59       5.3056      2.00001
     60       5.5850      2.01211
     61       6.3192     -0.04724
     62       6.5161     -0.00167
     63       7.2546     -0.00000
     64       7.3586     -0.00000
     65       7.6777     -0.00000
     66       8.0517     -0.00000
     67       8.8919     -0.00000
     68       9.6256     -0.00000
     69       9.9788     -0.00000
     70      10.4713     -0.00000
     71      10.6569     -0.00000
     72      10.9574     -0.00000
     73      11.3029     -0.00000
     74      12.4707      0.00000
     75      12.9842      0.00000
     76      13.3017      0.00000
     77      13.5705      0.00000
     78      14.1067      0.00000
     79      14.2106      0.00000
     80      14.8266      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9268      2.00000
      2     -39.9206      2.00000
      3     -39.8239      2.00000
      4     -39.6654      2.00000
      5     -39.6649      2.00000
      6     -39.6092      2.00000
      7     -39.5961      2.00000
      8      -1.4774      2.00000
      9      -0.7293      2.00000
     10      -0.3453      2.00000
     11       0.1598      2.00000
     12       0.2240      2.00000
     13       0.4728      2.00000
     14       0.5300      2.00000
     15       0.6155      2.00000
     16       0.6319      2.00000
     17       0.6670      2.00000
     18       0.8234      2.00000
     19       0.8848      2.00000
     20       0.9382      2.00000
     21       0.9814      2.00000
     22       0.9948      2.00000
     23       1.1441      2.00000
     24       1.1751      2.00000
     25       1.2504      2.00000
     26       1.3279      2.00000
     27       1.4314      2.00000
     28       1.5393      2.00000
     29       1.5960      2.00000
     30       1.6137      2.00000
     31       1.6899      2.00000
     32       1.8900      2.00000
     33       1.9600      2.00000
     34       2.0109      2.00000
     35       2.0832      2.00000
     36       2.1960      2.00000
     37       2.2479      2.00000
     38       2.3247      2.00000
     39       2.3388      2.00000
     40       2.4514      2.00000
     41       2.4626      2.00000
     42       2.6170      2.00000
     43       2.6621      2.00000
     44       2.7399      2.00000
     45       2.7619      2.00000
     46       2.8214      2.00000
     47       2.9489      2.00000
     48       2.9885      2.00000
     49       3.1006      2.00000
     50       3.1500      2.00000
     51       3.1870      2.00000
     52       3.2866      2.00000
     53       3.3658      2.00000
     54       3.6011      2.00000
     55       3.7705      2.00000
     56       3.8094      2.00000
     57       4.6141      2.00000
     58       5.1595      2.00000
     59       5.7080      2.05808
     60       6.0843      0.36246
     61       6.4382     -0.00848
     62       6.9015     -0.00000
     63       7.2339     -0.00000
     64       7.9051     -0.00000
     65       8.8935     -0.00000
     66       8.9396     -0.00000
     67       9.2511     -0.00000
     68       9.9403     -0.00000
     69      10.0292     -0.00000
     70      11.6454      0.00000
     71      11.9248      0.00000
     72      12.0732      0.00000
     73      12.1948      0.00000
     74      12.4514      0.00000
     75      12.8972      0.00000
     76      13.2858      0.00000
     77      13.5763      0.00000
     78      13.7874      0.00000
     79      13.9582      0.00000
     80      14.4798      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.170  -0.000  -0.000  -0.003  -0.000  -5.380  -0.000  -0.000
 -0.000  -5.168  -0.003   0.001  -0.001  -0.000  -5.379  -0.002
 -0.000  -0.003  -5.172  -0.001  -0.006  -0.000  -0.002  -5.382
 -0.003   0.001  -0.001  -5.177   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.157  -0.000  -0.001  -0.006
 -5.380  -0.000  -0.000  -0.003  -0.000  -5.573  -0.000  -0.000
 -0.000  -5.379  -0.002   0.001  -0.001  -0.000  -5.572  -0.002
 -0.000  -0.002  -5.382  -0.001  -0.006  -0.000  -0.002  -5.575
 -0.003   0.001  -0.001  -5.387   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.368  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.011   0.010   0.031   0.010   0.009  -1.158  -0.014  -0.026  -0.045  -0.015   0.020  -0.005  -0.012   0.007   0.355  -0.000
  0.010   3.064  -0.261   0.021  -0.202  -0.014  -1.051   0.217  -0.011   0.160  -0.077   0.016  -0.004   0.168   0.008   0.001
  0.031  -0.261   2.637   0.008  -0.302  -0.026   0.217  -0.684  -0.018   0.223   0.085  -0.036  -0.111  -0.021  -0.003   0.006
  0.010   0.021   0.008   2.934   0.014  -0.045  -0.011  -0.018  -1.094  -0.006  -0.021   0.004   0.010   0.004  -0.014  -0.000
  0.009  -0.202  -0.302   0.014   3.071  -0.015   0.160   0.223  -0.006  -1.010  -0.137   0.066   0.048  -0.004   0.018   0.008
 -1.158  -0.014  -0.026  -0.045  -0.015   1.212   0.017   0.022   0.075   0.019  -0.018   0.005   0.012  -0.006  -0.287  -0.000
 -0.014  -1.051   0.217  -0.011   0.160   0.017   0.972  -0.176   0.003  -0.119   0.071  -0.019  -0.006  -0.134  -0.007   0.000
 -0.026   0.217  -0.684  -0.018   0.223   0.022  -0.176   0.668   0.025  -0.155  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.045  -0.011  -0.018  -1.094  -0.006   0.075   0.003   0.025   1.152   0.001   0.020  -0.005  -0.009  -0.002   0.006   0.000
 -0.015   0.160   0.223  -0.006  -1.010   0.019  -0.119  -0.155   0.001   0.902   0.128  -0.071  -0.051   0.005  -0.014  -0.000
  0.020  -0.077   0.085  -0.021  -0.137  -0.018   0.071  -0.092   0.020   0.128   2.088  -0.309  -0.039   0.000   0.002   0.002
 -0.005   0.016  -0.036   0.004   0.066   0.005  -0.019   0.047  -0.005  -0.071  -0.309   0.125   0.059  -0.004   0.002  -0.002
 -0.012  -0.004  -0.111   0.010   0.048   0.012  -0.006   0.084  -0.009  -0.051  -0.039   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.168  -0.021   0.004  -0.004  -0.006  -0.134   0.025  -0.002   0.005   0.000  -0.004   0.007   0.125   0.002  -0.000
  0.355   0.008  -0.003  -0.014   0.018  -0.287  -0.007   0.002   0.006  -0.014   0.002   0.002  -0.001   0.002   0.156   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.69
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.81: real time    3.82
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   468.78965   468.78965   468.78965
  Ewald   -2481.89520 -3159.44716 -2718.35786   -23.53746   -17.00819    13.39657
  Hartree   839.99234   354.78759   671.73177   -15.02280     1.59845     8.12722
  E(xc)    -540.88870  -541.55219  -541.04184    -0.03094    -0.12796     0.01981
  Local    -575.24202   585.34742  -170.91436    37.89281    14.21946   -20.93208
  n-local  -103.29573  -100.05674  -102.01975     0.33092     0.72558    -0.29536
  augment   723.81351   723.27917   723.37793     0.06797     0.14403    -0.08010
  Kinetic  1668.50749  1668.86431  1668.18516     0.27002     0.58645    -0.22816
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.21866     0.01205    -0.24931    -0.02947     0.13783     0.00789
  in kB      -1.35945     0.07494    -1.55000    -0.18325     0.85692     0.04907
  external pressure =       -0.94 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.70
      direct lattice vectors                 reciprocal lattice vectors
     4.108838527 -0.098544845  0.140715157     0.243022435  0.100872152  0.081018198
    -3.912330150  8.719678130  0.878954416     0.002663208  0.115559227  0.003162944
    -2.330475785 -0.142482128  7.167900418    -0.005097417 -0.016150550  0.137532523

  length of vectors
     4.112428222  9.597482730  7.538581759     0.275316260  0.115633178  0.138571349


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.325E+01 -.154E+03 0.268E+02   0.342E+01 0.157E+03 -.271E+02   -.168E+00 -.283E+01 0.339E+00   -.859E-05 -.773E-04 -.595E-05
   0.322E+01 0.154E+03 -.268E+02   -.339E+01 -.157E+03 0.272E+02   0.169E+00 0.283E+01 -.340E+00   0.115E-04 0.703E-04 0.491E-05
   0.308E+01 0.144E+03 0.719E+01   -.319E+01 -.145E+03 -.700E+01   0.103E+00 0.130E+01 -.188E+00   -.204E-04 0.281E-03 0.765E-04
   0.700E-01 -.647E+02 -.405E+02   -.494E-01 0.643E+02 0.414E+02   -.216E-01 0.341E+00 -.843E+00   -.562E-04 -.195E-03 -.457E-04
   0.582E+01 0.959E+02 -.953E+02   -.590E+01 -.972E+02 0.967E+02   0.838E-01 0.126E+01 -.141E+01   0.730E-04 0.202E-03 -.140E-03
   -.631E-01 0.232E-01 -.306E-01   0.628E-01 -.234E-01 0.307E-01   0.139E-02 -.579E-03 0.375E-03   0.108E-05 -.101E-05 0.189E-05
   -.579E+01 -.960E+02 0.954E+02   0.587E+01 0.972E+02 -.968E+02   -.843E-01 -.126E+01 0.141E+01   -.738E-04 -.204E-03 0.141E-03
   -.303E+01 -.144E+03 -.719E+01   0.313E+01 0.145E+03 0.700E+01   -.104E+00 -.130E+01 0.189E+00   0.256E-04 -.284E-03 -.784E-04
   -.594E-01 0.647E+02 0.405E+02   0.390E-01 -.643E+02 -.413E+02   0.212E-01 -.340E+00 0.845E+00   0.603E-04 0.199E-03 0.444E-04
   0.107E-01 0.877E-02 -.439E-02   -.105E-01 -.873E-02 0.412E-02   -.349E-03 -.591E-04 0.355E-03   -.172E-06 -.357E-06 -.550E-07
   0.904E+00 0.916E+01 -.277E+02   -.909E+00 -.899E+01 0.276E+02   0.399E-02 -.164E+00 0.825E-01   -.111E-05 0.442E-05 -.362E-04
   -.910E+00 -.917E+01 0.277E+02   0.915E+00 0.900E+01 -.276E+02   -.423E-02 0.165E+00 -.825E-01   0.259E-06 -.284E-05 0.358E-04
   0.829E+00 -.827E+01 -.209E+02   -.790E+00 0.831E+01 0.206E+02   -.411E-01 -.445E-01 0.265E+00   0.437E-05 -.137E-04 -.107E-04
   -.154E+01 -.613E+02 0.337E+01   0.154E+01 0.612E+02 -.365E+01   0.164E-03 0.740E-01 0.278E+00   -.897E-06 -.659E-04 0.187E-04
   -.822E+00 0.829E+01 0.209E+02   0.783E+00 -.833E+01 -.206E+02   0.407E-01 0.446E-01 -.264E+00   -.562E-05 0.138E-04 0.108E-04
   0.153E+01 0.612E+02 -.334E+01   -.153E+01 -.612E+02 0.362E+01   -.410E-04 -.740E-01 -.279E+00   0.879E-06 0.650E-04 -.183E-04
 -----------------------------------------------------------------------------------------------
   0.381E-03 0.350E-04 0.119E-03   -.260E-13 -.711E-14 0.302E-13   -.491E-03 0.112E-02 0.293E-03   0.102E-04 -.786E-05 -.102E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07604      6.30752      7.87755        -0.001005     -0.019474     -0.005482
     -2.91297      8.09483      4.49829         0.001708      0.019280      0.005549
     -1.04803      1.13171      4.62222        -0.001898      0.002915      0.000318
     -2.90411      5.21065      2.39209        -0.000984     -0.000928     -0.016771
      1.19380      1.82628      0.30309         0.005486      0.000955     -0.014303
     -3.09288      2.89070      5.67806         0.001103     -0.000828      0.000449
     -0.93993      3.99872      4.02609        -0.005894     -0.000375      0.012947
     -1.02852      4.55104      6.87457         0.001039     -0.003340     -0.000249
      3.15800      0.61385      1.93658         0.000855      0.001134      0.017791
     -5.04877      7.25054      6.11750        -0.000105     -0.000095      0.000057
     -0.84771      3.61689      1.24693        -0.001047      0.004488     -0.001477
      1.10157      2.20771      3.08214         0.000811     -0.003661      0.001317
     -0.84728      6.66563      3.42860        -0.001920     -0.002344      0.001497
     -3.00046      5.48385      5.12920        -0.000311      0.000540     -0.001040
     -2.81111      7.87887      1.77930         0.001658      0.002608     -0.001404
      0.92387      0.19894      6.36765         0.000505     -0.000874      0.000800
 -----------------------------------------------------------------------------------
    total drift:                               -0.000100      0.001148      0.000411


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87603588 eV

  energy  without entropy=      -49.88098190  energy(sigma->0) =      -49.87768456
 
 d Force = 0.1053727E-03[ 0.933E-04, 0.117E-03]  d Energy = 0.1037896E-02-0.933E-03
 d Force =-0.5398898E+00[-0.541E+00,-0.539E+00]  d Ewald  = 0.3392664E+01-0.393E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.001038  1 .order   -0.001030   -0.001255   -0.000804
  (g-gl).g = 0.127E-02      g.g   = 0.149E-02  gl.gl    = 0.145E-02
 g(Force)  = 0.131E-03   g(Stress)= 0.136E-02 ortho     = 0.221E-03
 gamma     =   0.87900
 trial     =   0.74360
 opt step  =   1.79732  (harmonic =   2.06924) maximal distance =0.00245685
 next E    =   -49.876629   (d E  =  -0.00163)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  163.04: real time  164.36


----------------------------------------- Iteration    5(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.69: real time   16.74
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.44: real time   18.50

 eigenvalue-minimisa     EDDAV:  cpu time   18.05: real time   18.13
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.78: real time   19.89

 eigenvalue-minimisations  :  8208
 total energy-change (2. order) :-0.2608284E-04  (-0.5115282E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0520655 magnetization 

 Broyden mixing:
  rms(total) = 0.16766E-02    rms(broyden)= 0.16765E-02
  rms(prec ) = 0.21440E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7950
  0.7950

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.10808079
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46803278
  PAW double counting   =      9487.71943896    -9415.69075646
  entropy T*S    EENTRO =         0.00490289
  eigenvalues    EBANDS =      -338.40629313
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =            EDDAV:  cpu time   17.62: real time   17.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.37: real time   19.43

 eigenvalue-minimisations  :  7920
 total energy-change (2. order) : 0.9981279E-02  (-0.3105611E-02)
 number of electron     EDDAV:  cpu time   20.38: real time   20.48
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.13: real time   22.24

 eigenvalue-minimisations  :  9632
 total energy-change (2. order) : 0.3561105E-05  (-0.2261636E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0518483 magnetization 

 Broyden mixing:
  rms(total) = 0.97349E-03    rms(broyden)= 0.97343E-03
  rms(prec ) = 0.12043E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4333
  0.9503  1.9163

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.10510030
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46836758
  PAW double counting   =      9487.74822556    -9415.71981512
  entropy T*S    EENTRO =         0.00490264
  eigenvalues    EBANDS =      -338.40933256
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN       EDDAV:  cpu time   17.81: real time   17.86
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.57: real time   19.63

 eigenvalue-minimisations  :  8016
 total energy-change (2. order) : 0.9651676E-03  (-0.1836963E-03)
 number of electron     120     EDDAV:  cpu time   17.63: real time   17.72
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.37: real time   19.47

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.2592573E-05  (-0.6065608E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0515793 magnetization 

 Broyden mixing:
  rms(total) = 0.32547E-03    rms(broyden)= 0.32546E-03
  rms(prec ) = 0.36504E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2924
  1.9535  1.1530  0.7708

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11947694
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46963090
  PAW double counting   =      9487.55748334    -9415.52982968
  entropy T*S    EENTRO =         0.00490465
  eigenvalues    EBANDS =      -338.39546188
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy        EDDAV:  cpu time   17.82: real time   17.88
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.58: real time   19.64

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) : 0.4039845E-03  (-0.7592838E-04)
 number of electron     120.0000053     EDDAV:  cpu time   18.19: real time   18.29
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.92: real time   20.04

 eigenvalue-minimisations  :  8288
 total energy-change (2. order) : 0.2179077E-06  (-0.4378212E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0517280 magnetization 

 Broyden mixing:
  rms(total) = 0.13168E-03    rms(broyden)= 0.13167E-03
  rms(prec ) = 0.14455E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3824
  2.2060  0.8369  1.1810  1.3056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11442760
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46953471
  PAW double counting   =      9487.54596287    -9415.51883547
  entropy T*S    EENTRO =         0.00490466
  eigenvalues    EBANDS =      -338.39988855
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free e     EDDAV:  cpu time   18.95: real time   19.02
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.71: real time   20.80

 eigenvalue-minimisations  :  8736
 total energy-change (2. order) :-0.4920999E-05  (-0.8595263E-05)
 number of electron     120.0000053 magneti     EDDAV:  cpu time   13.22: real time   13.32
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.25: real time   13.36

 eigenvalue-minimisations  :  5168
 total energy-change (2. order) : 0.7678864E-07  (-0.5079433E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0517280 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11542236
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46964512
  PAW double counting   =      9487.53241938    -9415.50564573
  entropy T*S    EENTRO =         0.00490499
  eigenvalues    EBANDS =      -338.39865070
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87773734 eV

  energy without entropy =      -49.88264233  energy(sigma->0) =      -49.87937233
-----------------------------




----------------------------------------- Iteration    5(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.92: real time   18.97
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.67: real time   20.74

 eigenvalue-minimisations  :  8688
 total energy-change (2. order) :-0.5809779E-06  (-0.5282249E-06)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0486803 magnetization 

 Broyden mixing:
  rms(total) = 0.10759E-02    rms(broyden)= 0.10758E-02
  rms(prec ) = 0.11026E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5430
  2.4595  2.3786  1.0280  1.0280  0.8206

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.81107477
  Ewald energy   TEWEN  =     -8364.50104091
  -1/2 Hartree   DENC   =     -1864.67980491
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48921669
  PAW double counting   =      9486.78399689    -9414.73496387
  entropy T*S    EENTRO =         0.00525763
  eigenvalues    EBANDS =      -337.26001906
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87670746 eV

  energy without entropy =      -49.88196509  energy(sigma->0) =      -49.87846000
    24       1.1877      2.00000
     25       1.2205      2.00000
     26       1.2851      2.00000
     27       1.3144      2.00000
     28       1.5825      2.00000
     29       1.6529      2.00000
     30       1.7129      2.00000
     31       1.7411      2.00000
     32       1.7924      2.00000
     33       1.9225      2.00000
     34       1.9409      2.00000
     35       2.1511      2.00000
     36       2.1755      2.00000
     37       2.2767      2.00000
     38       2.3130      2.00000
     39       2.4486      2.00000
     40       2.5336      2.00000
     41       2.5879      2.00000
     42       2.6403      2.00000
     43       2.7259      2.00000
     44       2.8695      2.00000
     45       2.8760      2.00000
     46       2.9082      2.00000
     47       3.0015      2.00000
     48       3.0454      2.00000
     49       3.1041      2.00000
     50       3.1341      2.00000
     51       3.3313      2.00000
     52       3.3853      2.00000
     53       3.5032      2.00000
     54       3.5865      2.00000
     55       3.8961      2.00000
     56       4.0740      2.00000
     57       4.2324      2.00000
     58       4.2353      2.00000
     59       4.9520      2.00000
     60       5.6236      2.01662
     61       6.2825     -0.06907
     62       8.1992     -0.00000
     63       8.2970     -0.00000
     64       8.3266     -0.00000
     65       8.9387     -0.00000
     66       9.6744     -0.00000
     67      10.3880     -0.00000
     68      10.7443     -0.00000
     69      11.4837      0.00000
     70      11.7751      0.00000
     71      11.8286      0.00000
     72      12.0673      0.00000
     73      12.2755      0.00000
     74      12.3524      0.00000
     75      12.5188      0.00000
     76      12.7959      0.00000
     77      13.2996      0.00000
     78      13.6704      0.00000
     79      13.7960      0.00000
     80      14.6463      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.6725      2.00000
      9      -0.5731      2.00000
     10      -0.2720      2.00000
     11       0.2608      2.00000
     12       0.2803      2.00000
     13       0.3884      2.00000
     14       0.4654      2.00000
     15       0.5991      2.00000
     16       0.6134      2.00000
     17       0.7317      2.00000
     18       0.8246      2.00000
     19       0.9113      2.00000
     20       0.9367      2.00000
     21       0.9742      2.00000
     22       1.1011      2.00000
     23       1.1181      2.00000
     24       1.1979      2.00000
     25       1.2493      2.00000
     26       1.3516      2.00000
     27       1.3822      2.00000
     28       1.4967      2.00000
     29       1.6281      2.00000
     30       1.6641      2.00000
     31       1.7543      2.00000
     32       1.8229      2.00000
     33       1.8563      2.00000
     34       2.0118      2.00000
     35       2.0345      2.00000
     36       2.1733      2.00000
     37       2.2551      2.00000
     38       2.3621      2.00000
     39       2.4569      2.00000
     40       2.5047      2.00000
     41       2.5659      2.00000
     42       2.6083      2.00000
     43       2.6861      2.00000
     44       2.7364      2.00000
     45       2.8052      2.00000
     46       2.8227      2.00000
     47       2.9258      2.00000
     48       3.0542      2.00000
     49       3.1161      2.00000
     50       3.1982      2.00000
     51       3.2407      2.00000
     52       3.2742      2.00000
     53       3.4200      2.00000
     54       3.6191      2.00000
     55       3.7153      2.00000
     56       3.8517      2.00000
     57       4.0989      2.00000
     58       4.5861      2.00000
     59       5.5136      2.00195
     60       6.2798     -0.06961
     61       6.7983     -0.00000
     62       7.1048     -0.00000
     63       7.7187     -0.00000
     64       8.1716     -0.00000
     65       8.5893     -0.00000
     66       8.7243     -0.00000
     67       9.6426     -0.00000
     68      10.2976     -0.00000
     69      10.6199     -0.00000
     70      10.6674     -0.00000
     71      11.1353     -0.00000
     72      11.7274      0.00000
     73      12.5585      0.00000
     74      12.9493      0.00000
     75      13.2341      0.00000
     76      13.2983      0.00000
     77      13.4845      0.00000
     78      13.8680      0.00000
     79      14.4552      0.00000
     80      14.7179      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0318      2.00000
      9      -0.4130      2.00000
     10      -0.1242      2.00000
     11       0.3215      2.00000
     12       0.4233      2.00000
     13       0.4999      2.00000
     14       0.5866      2.00000
     15       0.6474      2.00000
     16       0.7351      2.00000
     17       0.8394      2.00000
     18       0.9165      2.00000
     19       0.9968      2.00000
     20       1.0422      2.00000
     21       1.0764      2.00000
     22       1.1757      2.00000
     23       1.2301      2.00000
     24       1.2823      2.00000
     25       1.3119      2.00000
     26       1.3602      2.00000
     27       1.4561      2.00000
     28       1.5542      2.00000
     29       1.6066      2.00000
     30       1.7274      2.00000
     31       1.8138      2.00000
     32       1.8600      2.00000
     33       1.9602      2.00000
     34       2.0170      2.00000
     35       2.1116      2.00000
     36       2.1248      2.00000
     37       2.1896      2.00000
     38       2.2545      2.00000
     39       2.3085      2.00000
     40       2.4032      2.00000
     41       2.4908      2.00000
     42       2.5398      2.00000
     43       2.6572      2.00000
     44       2.6953      2.00000
     45       2.7468      2.00000
     46       2.7976      2.00000
     47       2.8421      2.00000
     48       2.9280      2.00000
     49       3.0157      2.00000
     50       3.1019      2.00000
     51       3.1454      2.00000
     52       3.2395      2.00000
     53       3.3653      2.00000
     54       3.4598      2.00000
     55       3.5830      2.00000
     56       3.8237      2.00000
     57       4.6171      2.00000
     58       5.0105      2.00000
     59       5.4489      2.00040
     60       5.7912      2.06900
     61       6.4842     -0.00508
     62       6.8397     -0.00000
     63       6.9868     -0.00000
     64       7.5310     -0.00000
     65       7.9991     -0.00000
     66       8.3480     -0.00000
     67       8.6940     -0.00000
     68       9.4268     -0.00000
     69       9.8083     -0.00000
     70      10.3586     -0.00000
     71      10.4803     -0.00000
     72      10.7936     -0.00000
     73      11.4151     -0.00000
     74      12.1924      0.00000
     75      13.1303      0.00000
     76      13.6925      0.00000
     77      13.7594      0.00000
     78      13.8838      0.00000
     79      14.2943      0.00000
     80      14.6954      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3902      2.00000
      9      -0.1093      2.00000
     10       0.0914      2.00000
     11       0.1638      2.00000
     12       0.4856      2.00000
     13       0.5103      2.00000
     14       0.5615      2.00000
     15       0.6355      2.00000
     16       0.8277      2.00000
     17       0.9189      2.00000
     18       0.9344      2.00000
     19       1.1136      2.00000
     20       1.1692      2.00000
     21       1.1854      2.00000
     22       1.2683      2.00000
     23       1.3726      2.00000
     24       1.3923      2.00000
     25       1.4077      2.00000
     26       1.4785      2.00000
     27       1.5182      2.00000
     28       1.6470      2.00000
     29       1.6853      2.00000
     30       1.7356      2.00000
     31       1.8045      2.00000
     32       1.9132      2.00000
     33       1.9569      2.00000
     34       2.0648      2.00000
     35       2.1481      2.00000
     36       2.1648      2.00000
     37       2.1858      2.00000
     38       2.2819      2.00000
     39       2.3167      2.00000
     40       2.3730      2.00000
     41       2.4651      2.00000
     42       2.4824      2.00000
     43       2.5512      2.00000
     44       2.6422      2.00000
     45       2.6748      2.00000
     46       2.7614      2.00000
     47       2.8047      2.00000
     48       2.8430      2.00000
     49       2.9255      2.00000
     50       3.0639      2.00000
     51       3.1662      2.00000
     52       3.2724      2.00000
     53       3.3673      2.00000
     54       3.5583      2.00000
     55       3.6427      2.00000
     56       3.8259      2.00000
     57       4.1515      2.00000
     58       4.2990      2.00000
     59       5.1388      2.00000
     60       5.8694      1.95751
     61       6.0524      0.73902
     62       6.1772      0.03048
     63       6.8214     -0.00000
     64       7.0814     -0.00000
     65       7.6740     -0.00000
     66       8.2220     -0.00000
     67       8.4886     -0.00000
     68       8.8364     -0.00000
     69       9.4886     -0.00000
     70       9.7788     -0.00000
     71      10.5314     -0.00000
     72      10.9714     -0.00000
     73      11.1466     -0.00000
     74      11.7885      0.00000
     75      12.2876      0.00000
     76      12.7659      0.00000
     77      13.4163      0.00000
     78      13.7833      0.00000
     79      13.9630      0.00000
     80      14.6514      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4446      2.00000
      9      -0.1790      2.00000
     10       0.0377      2.00000
     11       0.1378      2.00000
     12       0.5048      2.00000
     13       0.5273      2.00000
     14       0.7046      2.00000
     15       0.7425      2.00000
     16       0.8749      2.00000
     17       0.9147      2.00000
     18       0.9907      2.00000
     19       1.0688      2.00000
     20       1.0882      2.00000
     21       1.2418      2.00000
     22       1.2807      2.00000
     23       1.3298      2.00000
     24       1.3870      2.00000
     25       1.3958      2.00000
     26       1.4481      2.00000
     27       1.4945      2.00000
     28       1.6701      2.00000
     29       1.7030      2.00000
     30       1.7480      2.00000
     31       1.8051      2.00000
     32       1.8799      2.00000
     33       1.9076      2.00000
     34       2.0454      2.00000
     35       2.0838      2.00000
     36       2.1470      2.00000
     37       2.1635      2.00000
     38       2.2323      2.00000
     39       2.3407      2.00000
     40       2.4441      2.00000
     41       2.4663      2.00000
     42       2.5438      2.00000
     43       2.5858      2.00000
     44       2.6287      2.00000
     45       2.6795      2.00000
     46       2.7358      2.00000
     47       2.8111      2.00000
     48       2.8514      2.00000
     49       2.9121      2.00000
     50       3.1011      2.00000
     51       3.1837      2.00000
     52       3.2092      2.00000
     53       3.5217      2.00000
     54       3.5550      2.00000
     55       3.7451      2.00000
     56       4.2057      2.00000
     57       4.3962      2.00000
     58       4.5691      2.00000
     59       4.7267      2.00000
     60       5.1888      2.00000
     61       5.6205      2.01583
     62       6.0867      0.47717
     63       6.1033      0.36591
     64       7.1074     -0.00000
     65       8.2687     -0.00000
     66       8.4033     -0.00000
     67       8.9109     -0.00000
     68       9.1609     -0.00000
     69       9.2570     -0.00000
     70       9.9656     -0.00000
     71      10.4700     -0.00000
     72      10.6042     -0.00000
     73      11.3592     -0.00000
     74      11.9234      0.00000
     75      12.5808      0.00000
     76      13.1672      0.00000
     77      13.5240      0.00000
     78      13.8816      0.00000
     79      14.1366      0.00000
     80      14.4575      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.1623      2.00000
      9      -0.4803      2.00000
     10       0.0252      2.00000
     11       0.1486      2.00000
     12       0.5206      2.00000
     13       0.5891      2.00000
     14       0.6497      2.00000
     15       0.6887      2.00000
     16       0.8210      2.00000
     17       0.8366      2.00000
     18       0.8716      2.00000
     19       0.9597      2.00000
     20       1.0889      2.00000
     21       1.1310      2.00000
     22       1.1868      2.00000
     23       1.2102      2.00000
     24       1.3070      2.00000
     25       1.3405      2.00000
     26       1.3963      2.00000
     27       1.4463      2.00000
     28       1.4790      2.00000
     29       1.6391      2.00000
     30       1.7388      2.00000
     31       1.7632      2.00000
     32       1.8410      2.00000
     33       1.9028      2.00000
     34       1.9617      2.00000
     35       2.0587      2.00000
     36       2.1616      2.00000
     37       2.2272      2.00000
     38       2.2978      2.00000
     39       2.3635      2.00000
     40       2.4417      2.00000
     41       2.5204      2.00000
     42       2.5590      2.00000
     43       2.6058      2.00000
     44       2.6603      2.00000
     45       2.7710      2.00000
     46       2.7951      2.00000
     47       2.8783      2.00000
     48       2.8909      2.00000
     49       3.0489      2.00000
     50       3.0933      2.00000
     51       3.1394      2.00000
     52       3.2132      2.00000
     53       3.3228      2.00000
     54       3.5330      2.00000
     55       3.7027      2.00000
     56       4.1028      2.00000
     57       4.4582      2.00000
     58       4.8499      2.00000
     59       5.4981      2.00136
     60       5.7052      2.04798
     61       6.0858      0.48375
     62       6.3667     -0.03473
     63       6.9725     -0.00000
     64       7.1885     -0.00000
     65       7.5857     -0.00000
     66       8.2244     -0.00000
     67       8.9869     -0.00000
     68       9.2570     -0.00000
     69      10.2414     -0.00000
     70      11.0418     -0.00000
     71      11.3231     -0.00000
     72      11.6883      0.00000
     73      12.1277      0.00000
     74      12.3733      0.00000
     75      12.7946      0.00000
     76      13.4292      0.00000
     77      13.6366      0.00000
     78      13.9066      0.00000
     79      14.2948      0.00000
     80      14.4183      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6518      2.00000
      5     -39.6516      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.7566      2.00000
      9      -0.6350      2.00000
     10       0.0420      2.00000
     11       0.1794      2.00000
     12       0.3297      2.00000
     13       0.3380      2.00000
     14       0.4050      2.00000
     15       0.6260      2.00000
     16       0.6445      2.00000
     17       0.7347      2.00000
     18       0.8138      2.00000
     19       0.8860      2.00000
     20       0.9094      2.00000
     21       1.0610      2.00000
     22       1.0669      2.00000
     23       1.1517      2.00000
     24       1.2189      2.00000
     25       1.2785      2.00000
     26       1.3031      2.00000
     27       1.3338      2.00000
     28       1.4631      2.00000
     29       1.6646      2.00000
     30       1.6828      2.00000
     31       1.7710      2.00000
     32       1.8312      2.00000
     33       1.9027      2.00000
     34       1.9249      2.00000
     35       2.0807      2.00000
     36       2.1560      2.00000
     37       2.2855      2.00000
     38       2.3344      2.00000
     39       2.3836      2.00000
     40       2.4876      2.00000
     41       2.5225      2.00000
     42       2.6199      2.00000
     43       2.7414      2.00000
     44       2.7981      2.00000
     45       2.8273      2.00000
     46       2.8736      2.00000
     47       2.9359      2.00000
     48       3.0262      2.00000
     49       3.0942      2.00000
     50       3.1276      2.00000
     51       3.2116      2.00000
     52       3.2683      2.00000
     53       3.4383      2.00000
     54       3.6812      2.00000
     55       3.7946      2.00000
     56       3.9501      2.00000
     57       4.1245      2.00000
     58       4.8599      2.00000
     59       5.0493      2.00000
     60       5.5651      2.00584
     61       6.7243     -0.00001
     62       7.1792     -0.00000
     63       7.7313     -0.00000
     64       8.2316     -0.00000
     65       8.7084     -0.00000
     66       8.9850     -0.00000
     67       9.3926     -0.00000
     68      10.1952     -0.00000
     69      10.7713     -0.00000
     70      10.8298     -0.00000
     71      11.4171     -0.00000
     72      12.4784      0.00000
     73      12.9018      0.00000
     74      13.0779      0.00000
     75      13.2756      0.00000
     76      13.4471      0.00000
     77      13.8153      0.00000
     78      13.8834      0.00000
     79      14.3151      0.00000
     80      14.4261      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9110      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6100      2.00000
      7     -39.5953      2.00000
      8      -1.8644      2.00000
      9      -0.8971      2.00000
     10      -0.0306      2.00000
     11       0.1616      2.00000
     12       0.2094      2.00000
     13       0.2946      2.00000
     14       0.4282      2.00000
     15       0.5821      2.00000
     16       0.6113      2.00000
     17       0.6225      2.00000
     18       0.6881      2.00000
     19       0.7738      2.00000
     20       0.8431      2.00000
     21       0.9354      2.00000
     22       1.0388      2.00000
     23       1.0787      2.00000
     24       1.2504      2.00000
     25       1.2991      2.00000
     26       1.3961      2.00000
     27       1.4205      2.00000
     28       1.5906      2.00000
     29       1.6086      2.00000
     30       1.6484      2.00000
     31       1.7038      2.00000
     32       1.8050      2.00000
     33       1.8860      2.00000
     34       1.9442      2.00000
     35       2.1674      2.00000
     36       2.2250      2.00000
     37       2.2324      2.00000
     38       2.2945      2.00000
     39       2.4439      2.00000
     40       2.5016      2.00000
     41       2.6221      2.00000
     42       2.6618      2.00000
     43       2.6698      2.00000
     44       2.8192      2.00000
     45       2.8414      2.00000
     46       2.8856      2.00000
     47       2.9085      2.00000
     48       3.0611      2.00000
     49       3.1102      2.00000
     50       3.1503      2.00000
     51       3.3232      2.00000
     52       3.3673      2.00000
     53       3.4590      2.00000
     54       3.6354      2.00000
     55       3.9603      2.00000
     56       4.2249      2.00000
     57       4.2340      2.00000
     58       4.3494      2.00000
     59       4.8938      2.00000
     60       6.2841     -0.06871
     61       6.4929     -0.00426
     62       6.9268     -0.00000
     63       7.2062     -0.00000
     64       8.8205     -0.00000
     65       9.5564     -0.00000
     66       9.7103     -0.00000
     67       9.9024     -0.00000
     68      10.9907     -0.00000
     69      11.2011     -0.00000
     70      11.2932     -0.00000
     71      11.4612     -0.00000
     72      12.3167      0.00000
     73      12.6982      0.00000
     74      13.1400      0.00000
     75      13.4020      0.00000
     76      13.5312      0.00000
     77      13.8265      0.00000
     78      13.9940      0.00000
     79      14.2767      0.00000
     80      14.5336      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5838      2.00000
      9      -0.8168      2.00000
     10      -0.1472      2.00000
     11       0.2263      2.00000
     12       0.2638      2.00000
     13       0.4241      2.00000
     14       0.5027      2.00000
     15       0.5749      2.00000
     16       0.6201      2.00000
     17       0.6877      2.00000
     18       0.7863      2.00000
     19       0.8876      2.00000
     20       0.9589      2.00000
     21       0.9830      2.00000
     22       1.0530      2.00000
     23       1.1553      2.00000
     24       1.2159      2.00000
     25       1.2952      2.00000
     26       1.3702      2.00000
     27       1.4012      2.00000
     28       1.5309      2.00000
     29       1.5643      2.00000
     30       1.6199      2.00000
     31       1.6718      2.00000
     32       1.8889      2.00000
     33       1.9682      2.00000
     34       2.0204      2.00000
     35       2.1603      2.00000
     36       2.1866      2.00000
     37       2.2680      2.00000
     38       2.3166      2.00000
     39       2.3649      2.00000
     40       2.3886      2.00000
     41       2.4488      2.00000
     42       2.6554      2.00000
     43       2.6714      2.00000
     44       2.7754      2.00000
     45       2.7925      2.00000
     46       2.8419      2.00000
     47       2.9843      2.00000
     48       3.0112      2.00000
     49       3.1180      2.00000
     50       3.1798      2.00000
     51       3.1895      2.00000
     52       3.3079      2.00000
     53       3.4594      2.00000
     54       3.6491      2.00000
     55       3.7027      2.00000
     56       3.8915      2.00000
     57       4.4383      2.00000
     58       4.9049      2.00000
     59       5.5441      2.00381
     60       5.8587      1.98627
     61       6.5096     -0.00299
     62       7.0424     -0.00000
     63       7.5262     -0.00000
     64       8.0727     -0.00000
     65       8.3189     -0.00000
     66       8.9239     -0.00000
     67       9.4034     -0.00000
     68       9.6712     -0.00000
     69      10.4663     -0.00000
     70      12.0090      0.00000
     71      12.3105      0.00000
     72      12.4000      0.00000
     73      12.5587      0.00000
     74      12.7256      0.00000
     75      12.8567      0.00000
     76      13.3265      0.00000
     77      13.6076      0.00000
     78      13.9236      0.00000
     79      14.0087      0.00000
     80      14.4226      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0277      2.00000
      9      -0.3855      2.00000
     10      -0.1339      2.00000
     11       0.3209      2.00000
     12       0.3982      2.00000
     13       0.4951      2.00000
     14       0.5326      2.00000
     15       0.6726      2.00000
     16       0.7801      2.00000
     17       0.8137      2.00000
     18       0.9320      2.00000
     19       0.9413      2.00000
     20       1.0263      2.00000
     21       1.0736      2.00000
     22       1.1638      2.00000
     23       1.2179      2.00000
     24       1.3065      2.00000
     25       1.3531      2.00000
     26       1.4121      2.00000
     27       1.4776      2.00000
     28       1.5476      2.00000
     29       1.6132      2.00000
     30       1.7524      2.00000
     31       1.8250      2.00000
     32       1.8870      2.00000
     33       1.9240      2.00000
     34       1.9889      2.00000
     35       2.0406      2.00000
     36       2.0829      2.00000
     37       2.1369      2.00000
     38       2.2150      2.00000
     39       2.3124      2.00000
     40       2.4653      2.00000
     41       2.5025      2.00000
     42       2.5644      2.00000
     43       2.6229      2.00000
     44       2.6835      2.00000
     45       2.7971      2.00000
     46       2.8238      2.00000
     47       2.8759      2.00000
     48       2.9240      2.00000
     49       2.9744      2.00000
     50       3.0847      2.00000
     51       3.1724      2.00000
     52       3.2491      2.00000
     53       3.2852      2.00000
     54       3.4714      2.00000
     55       3.6094      2.00000
     56       4.0089      2.00000
     57       4.4763      2.00000
     58       5.2600      2.00000
     59       5.6815      2.03724
     60       5.9036      1.82891
     61       6.2938     -0.06608
     62       6.5263     -0.00206
     63       6.7008     -0.00002
     64       7.4444     -0.00000
     65       7.6905     -0.00000
     66       8.1062     -0.00000
     67       9.1395     -0.00000
     68       9.8262     -0.00000
     69       9.9540     -0.00000
     70      10.1254     -0.00000
     71      11.1022     -0.00000
     72      11.1899     -0.00000
     73      11.7695      0.00000
     74      12.0758      0.00000
     75      12.4235      0.00000
     76      12.7746      0.00000
     77      13.2936      0.00000
     78      13.6744      0.00000
     79      14.0701      0.00000
     80      14.4182      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3906      2.00000
      9      -0.0872      2.00000
     10       0.0700      2.00000
     11       0.1453      2.00000
     12       0.4160      2.00000
     13       0.5177      2.00000
     14       0.6061      2.00000
     15       0.7144      2.00000
     16       0.8515      2.00000
     17       0.9046      2.00000
     18       0.9142      2.00000
     19       1.0959      2.00000
     20       1.1518      2.00000
     21       1.1832      2.00000
     22       1.2461      2.00000
     23       1.3155      2.00000
     24       1.4003      2.00000
     25       1.4612      2.00000
     26       1.4929      2.00000
     27       1.5969      2.00000
     28       1.6685      2.00000
     29       1.7118      2.00000
     30       1.7319      2.00000
     31       1.8362      2.00000
     32       1.8797      2.00000
     33       1.9603      2.00000
     34       1.9818      2.00000
     35       2.0732      2.00000
     36       2.1224      2.00000
     37       2.2348      2.00000
     38       2.3021      2.00000
     39       2.3490      2.00000
     40       2.3893      2.00000
     41       2.4570      2.00000
     42       2.5131      2.00000
     43       2.5273      2.00000
     44       2.6268      2.00000
     45       2.6924      2.00000
     46       2.7320      2.00000
     47       2.7951      2.00000
     48       2.8463      2.00000
     49       2.8734      2.00000
     50       3.0706      2.00000
     51       3.1422      2.00000
     52       3.2712      2.00000
     53       3.3275      2.00000
     54       3.4828      2.00000
     55       3.5899      2.00000
     56       3.7351      2.00000
     57       4.4148      2.00000
     58       4.7764      2.00000
     59       5.1281      2.00000
     60       5.6639      2.02994
     61       5.9472      1.58073
     62       6.2136     -0.04143
     63       6.5200     -0.00238
     64       6.7366     -0.00001
     65       7.7473     -0.00000
     66       8.0549     -0.00000
     67       8.5199     -0.00000
     68       9.3089     -0.00000
     69       9.7476     -0.00000
     70      10.1845     -0.00000
     71      10.8605     -0.00000
     72      10.9742     -0.00000
     73      11.3780     -0.00000
     74      11.5941      0.00000
     75      12.1330      0.00000
     76      12.4646      0.00000
     77      13.1253      0.00000
     78      13.4237      0.00000
     79      14.0216      0.00000
     80      14.2863      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6516      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4413      2.00000
      9      -0.1553      2.00000
     10      -0.0384      2.00000
     11       0.1366      2.00000
     12       0.5482      2.00000
     13       0.6657      2.00000
     14       0.7005      2.00000
     15       0.7298      2.00000
     16       0.7982      2.00000
     17       0.8838      2.00000
     18       0.9547      2.00000
     19       1.0835      2.00000
     20       1.1068      2.00000
     21       1.1380      2.00000
     22       1.2621      2.00000
     23       1.3365      2.00000
     24       1.3679      2.00000
     25       1.3913      2.00000
     26       1.5426      2.00000
     27       1.5852      2.00000
     28       1.6689      2.00000
     29       1.7155      2.00000
     30       1.7641      2.00000
     31       1.8161      2.00000
     32       1.8571      2.00000
     33       1.9618      2.00000
     34       2.0020      2.00000
     35       2.0932      2.00000
     36       2.1617      2.00000
     37       2.2413      2.00000
     38       2.3271      2.00000
     39       2.3401      2.00000
     40       2.4494      2.00000
     41       2.4693      2.00000
     42       2.4962      2.00000
     43       2.5217      2.00000
     44       2.5658      2.00000
     45       2.5817      2.00000
     46       2.7243      2.00000
     47       2.7596      2.00000
     48       2.8140      2.00000
     49       2.8830      2.00000
     50       3.1277      2.00000
     51       3.1640      2.00000
     52       3.2892      2.00000
     53       3.5116      2.00000
     54       3.5743      2.00000
     55       3.6475      2.00000
     56       4.0712      2.00000
     57       4.4111      2.00000
     58       4.5179      2.00000
     59       5.0100      2.00000
     60       5.1499      2.00000
     61       5.8176      2.05380
     62       6.1435      0.14954
     63       6.5110     -0.00290
     64       7.1579     -0.00000
     65       7.2607     -0.00000
     66       7.7693     -0.00000
     67       8.3295     -0.00000
     68       9.5522     -0.00000
     69       9.9855     -0.00000
     70      10.5831     -0.00000
     71      11.0056     -0.00000
     72      11.2602     -0.00000
     73      11.7995      0.00000
     74      12.0370      0.00000
     75      12.2639      0.00000
     76      12.8797      0.00000
     77      13.1455      0.00000
     78      13.3212      0.00000
     79      14.1398      0.00000
     80      14.3310      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.2081      2.00000
      9      -0.3447      2.00000
     10      -0.0770      2.00000
     11       0.1062      2.00000
     12       0.5489      2.00000
     13       0.5735      2.00000
     14       0.6376      2.00000
     15       0.7139      2.00000
     16       0.8451      2.00000
     17       0.8775      2.00000
     18       0.9451      2.00000
     19       1.0063      2.00000
     20       1.0836      2.00000
     21       1.1117      2.00000
     22       1.1739      2.00000
     23       1.2453      2.00000
     24       1.2630      2.00000
     25       1.3212      2.00000
     26       1.3866      2.00000
     27       1.3937      2.00000
     28       1.5510      2.00000
     29       1.6760      2.00000
     30       1.7007      2.00000
     31       1.8145      2.00000
     32       1.8850      2.00000
     33       1.9309      2.00000
     34       2.0066      2.00000
     35       2.0213      2.00000
     36       2.0562      2.00000
     37       2.1610      2.00000
     38       2.2059      2.00000
     39       2.3993      2.00000
     40       2.4401      2.00000
     41       2.4935      2.00000
     42       2.5412      2.00000
     43       2.6167      2.00000
     44       2.6619      2.00000
     45       2.7698      2.00000
     46       2.8559      2.00000
     47       2.8856      2.00000
     48       2.9225      2.00000
     49       3.0230      2.00000
     50       3.0560      2.00000
     51       3.1046      2.00000
     52       3.1919      2.00000
     53       3.2853      2.00000
     54       3.5293      2.00000
     55       3.6543      2.00000
     56       4.0053      2.00000
     57       4.3370      2.00000
     58       5.3261      2.00001
     59       5.4787      2.00085
     60       5.6690      2.03196
     61       5.8430      2.01952
     62       6.6363     -0.00012
     63       6.9580     -0.00000
     64       7.4559     -0.00000
     65       7.8336     -0.00000
     66       7.8998     -0.00000
     67       8.4595     -0.00000
     68       9.7077     -0.00000
     69       9.9912     -0.00000
     70      10.4227     -0.00000
     71      11.7528      0.00000
     72      12.2501      0.00000
     73      12.5597      0.00000
     74      12.8886      0.00000
     75      13.0901      0.00000
     76      13.3945      0.00000
     77      13.4593      0.00000
     78      13.5471      0.00000
     79      13.8857      0.00000
     80      14.1098      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.7439      2.00000
      9      -0.6702      2.00000
     10       0.0125      2.00000
     11       0.2325      2.00000
     12       0.3195      2.00000
     13       0.3415      2.00000
     14       0.4038      2.00000
     15       0.6272      2.00000
     16       0.6403      2.00000
     17       0.7192      2.00000
     18       0.8118      2.00000
     19       0.8772      2.00000
     20       0.9576      2.00000
     21       1.0194      2.00000
     22       1.0867      2.00000
     23       1.1534      2.00000
     24       1.2292      2.00000
     25       1.2610      2.00000
     26       1.3350      2.00000
     27       1.4005      2.00000
     28       1.4401      2.00000
     29       1.6054      2.00000
     30       1.6809      2.00000
     31       1.7245      2.00000
     32       1.8247      2.00000
     33       1.8777      2.00000
     34       1.9571      2.00000
     35       2.1319      2.00000
     36       2.1952      2.00000
     37       2.2571      2.00000
     38       2.3105      2.00000
     39       2.3989      2.00000
     40       2.5150      2.00000
     41       2.5388      2.00000
     42       2.6114      2.00000
     43       2.7232      2.00000
     44       2.7608      2.00000
     45       2.8033      2.00000
     46       2.8849      2.00000
     47       2.9661      2.00000
     48       2.9984      2.00000
     49       3.1204      2.00000
     50       3.1601      2.00000
     51       3.2114      2.00000
     52       3.2891      2.00000
     53       3.4352      2.00000
     54       3.6321      2.00000
     55       3.7818      2.00000
     56       3.9537      2.00000
     57       4.1587      2.00000
     58       4.5113      2.00000
     59       5.2795      2.00000
     60       6.0597      0.68056
     61       6.5862     -0.00048
     62       6.9961     -0.00000
     63       7.7979     -0.00000
     64       8.0740     -0.00000
     65       8.3367     -0.00000
     66       8.7225     -0.00000
     67       9.6861     -0.00000
     68      10.4589     -0.00000
     69      10.9145     -0.00000
     70      11.0350     -0.00000
     71      11.3102     -0.00000
     72      12.5085      0.00000
     73      12.8857      0.00000
     74      13.0403      0.00000
     75      13.1684      0.00000
     76      13.5059      0.00000
     77      13.5927      0.00000
     78      13.9467      0.00000
     79      14.3554      0.00000
     80      14.4836      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9110      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6099      2.00000
      7     -39.5953      2.00000
      8      -1.8569      2.00000
      9      -0.9332      2.00000
     10       0.0391      2.00000
     11       0.1696      2.00000
     12       0.2056      2.00000
     13       0.2891      2.00000
     14       0.4214      2.00000
     15       0.5937      2.00000
     16       0.6119      2.00000
     17       0.6227      2.00000
     18       0.6900      2.00000
     19       0.7227      2.00000
     20       0.8420      2.00000
     21       0.9491      2.00000
     22       1.0875      2.00000
     23       1.1032      2.00000
     24       1.2009      2.00000
     25       1.2704      2.00000
     26       1.3527      2.00000
     27       1.3666      2.00000
     28       1.5518      2.00000
     29       1.6508      2.00000
     30       1.6927      2.00000
     31       1.7101      2.00000
     32       1.8013      2.00000
     33       1.8677      2.00000
     34       1.8976      2.00000
     35       2.1252      2.00000
     36       2.2183      2.00000
     37       2.2544      2.00000
     38       2.3872      2.00000
     39       2.4347      2.00000
     40       2.5278      2.00000
     41       2.5920      2.00000
     42       2.6223      2.00000
     43       2.6796      2.00000
     44       2.8486      2.00000
     45       2.8706      2.00000
     46       2.9860      2.00000
     47       3.0487      2.00000
     48       3.0565      2.00000
     49       3.1290      2.00000
     50       3.1907      2.00000
     51       3.2780      2.00000
     52       3.3160      2.00000
     53       3.5427      2.00000
     54       3.6498      2.00000
     55       3.9200      2.00000
     56       3.9421      2.00000
     57       4.2187      2.00000
     58       4.4090      2.00000
     59       5.0048      2.00000
     60       5.6022      2.01163
     61       6.2263     -0.05515
     62       7.7514     -0.00000
     63       8.1801     -0.00000
     64       8.6188     -0.00000
     65       8.6464     -0.00000
     66       9.7794     -0.00000
     67      10.3977     -0.00000
     68      10.5997     -0.00000
     69      10.8142     -0.00000
     70      11.2556     -0.00000
     71      11.7459      0.00000
     72      12.4735      0.00000
     73      12.7346      0.00000
     74      12.8317      0.00000
     75      13.1470      0.00000
     76      13.2529      0.00000
     77      13.6959      0.00000
     78      14.4306      0.00000
     79      14.4946      0.00000
     80      14.5593      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.6555      2.00000
      9      -0.6518      2.00000
     10      -0.2069      2.00000
     11       0.2451      2.00000
     12       0.2915      2.00000
     13       0.4344      2.00000
     14       0.4392      2.00000
     15       0.5894      2.00000
     16       0.6329      2.00000
     17       0.7257      2.00000
     18       0.7814      2.00000
     19       0.8749      2.00000
     20       0.9389      2.00000
     21       0.9840      2.00000
     22       1.0810      2.00000
     23       1.1444      2.00000
     24       1.1781      2.00000
     25       1.2534      2.00000
     26       1.3642      2.00000
     27       1.3773      2.00000
     28       1.4958      2.00000
     29       1.6233      2.00000
     30       1.6462      2.00000
     31       1.7447      2.00000
     32       1.8774      2.00000
     33       1.8980      2.00000
     34       1.9990      2.00000
     35       2.0800      2.00000
     36       2.1800      2.00000
     37       2.2405      2.00000
     38       2.3214      2.00000
     39       2.4033      2.00000
     40       2.4757      2.00000
     41       2.5672      2.00000
     42       2.6342      2.00000
     43       2.7236      2.00000
     44       2.7661      2.00000
     45       2.8221      2.00000
     46       2.8540      2.00000
     47       2.9329      2.00000
     48       3.0228      2.00000
     49       3.0814      2.00000
     50       3.1430      2.00000
     51       3.2284      2.00000
     52       3.2603      2.00000
     53       3.5481      2.00000
     54       3.6737      2.00000
     55       3.7447      2.00000
     56       3.8141      2.00000
     57       4.1011      2.00000
     58       4.9402      2.00000
     59       5.0812      2.00000
     60       5.8263      2.04457
     61       6.8112     -0.00000
     62       7.1860     -0.00000
     63       7.7763     -0.00000
     64       8.6881     -0.00000
     65       8.9465     -0.00000
     66       9.1310     -0.00000
     67       9.4602     -0.00000
     68       9.6252     -0.00000
     69       9.7933     -0.00000
     70      10.9408     -0.00000
     71      11.5685      0.00000
     72      12.1379      0.00000
     73      12.3316      0.00000
     74      12.4816      0.00000
     75      13.1641      0.00000
     76      13.3048      0.00000
     77      13.6961      0.00000
     78      14.0854      0.00000
     79      14.4034      0.00000
     80      14.5392      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0750      2.00000
      9      -0.2675      2.00000
     10      -0.2098      2.00000
     11       0.2618      2.00000
     12       0.4267      2.00000
     13       0.5242      2.00000
     14       0.5595      2.00000
     15       0.6797      2.00000
     16       0.7905      2.00000
     17       0.8360      2.00000
     18       0.9133      2.00000
     19       1.0044      2.00000
     20       1.0939      2.00000
     21       1.1020      2.00000
     22       1.1486      2.00000
     23       1.2002      2.00000
     24       1.2315      2.00000
     25       1.2783      2.00000
     26       1.3593      2.00000
     27       1.4959      2.00000
     28       1.5822      2.00000
     29       1.6378      2.00000
     30       1.6645      2.00000
     31       1.8215      2.00000
     32       1.8411      2.00000
     33       1.9983      2.00000
     34       2.0064      2.00000
     35       2.0674      2.00000
     36       2.1713      2.00000
     37       2.2068      2.00000
     38       2.2475      2.00000
     39       2.2999      2.00000
     40       2.3745      2.00000
     41       2.5101      2.00000
     42       2.6301      2.00000
     43       2.6574      2.00000
     44       2.7221      2.00000
     45       2.7620      2.00000
     46       2.8051      2.00000
     47       2.8400      2.00000
     48       2.9337      2.00000
     49       2.9548      2.00000
     50       3.0970      2.00000
     51       3.1215      2.00000
     52       3.2105      2.00000
     53       3.4144      2.00000
     54       3.4970      2.00000
     55       3.5878      2.00000
     56       3.6881      2.00000
     57       4.4258      2.00000
     58       4.7987      2.00000
     59       5.4344      2.00027
     60       5.9950      1.21897
     61       6.6067     -0.00028
     62       6.9448     -0.00000
     63       7.0349     -0.00000
     64       7.3339     -0.00000
     65       8.2630     -0.00000
     66       8.5061     -0.00000
     67       8.8290     -0.00000
     68       9.3420     -0.00000
     69       9.9753     -0.00000
     70      10.1830     -0.00000
     71      10.3297     -0.00000
     72      11.0828     -0.00000
     73      11.7783      0.00000
     74      12.1375      0.00000
     75      12.3091      0.00000
     76      12.9741      0.00000
     77      13.7736      0.00000
     78      13.8248      0.00000
     79      14.0905      0.00000
     80      14.2243      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3653      2.00000
      9      -0.1425      2.00000
     10       0.0805      2.00000
     11       0.1471      2.00000
     12       0.4577      2.00000
     13       0.5653      2.00000
     14       0.6379      2.00000
     15       0.6887      2.00000
     16       0.7354      2.00000
     17       0.8931      2.00000
     18       0.9486      2.00000
     19       1.0657      2.00000
     20       1.1488      2.00000
     21       1.1802      2.00000
     22       1.2173      2.00000
     23       1.3246      2.00000
     24       1.3800      2.00000
     25       1.4725      2.00000
     26       1.5365      2.00000
     27       1.5669      2.00000
     28       1.6365      2.00000
     29       1.7148      2.00000
     30       1.7832      2.00000
     31       1.8492      2.00000
     32       1.9092      2.00000
     33       1.9430      2.00000
     34       2.0898      2.00000
     35       2.1490      2.00000
     36       2.1558      2.00000
     37       2.2517      2.00000
     38       2.2632      2.00000
     39       2.3358      2.00000
     40       2.3759      2.00000
     41       2.4191      2.00000
     42       2.5132      2.00000
     43       2.5631      2.00000
     44       2.5975      2.00000
     45       2.6172      2.00000
     46       2.6900      2.00000
     47       2.7750      2.00000
     48       2.7953      2.00000
     49       2.8793      2.00000
     50       3.0732      2.00000
     51       3.1317      2.00000
     52       3.1878      2.00000
     53       3.3678      2.00000
     54       3.5353      2.00000
     55       3.6294      2.00000
     56       3.8867      2.00000
     57       4.3708      2.00000
     58       4.7274      2.00000
     59       5.1018      2.00000
     60       5.6374      2.02061
     61       5.6930      2.04239
     62       6.1981     -0.01724
     63       6.6493     -0.00008
     64       7.0095     -0.00000
     65       7.5058     -0.00000
     66       7.8746     -0.00000
     67       8.9956     -0.00000
     68       9.6026     -0.00000
     69       9.8929     -0.00000
     70      10.0884     -0.00000
     71      10.4751     -0.00000
     72      10.7355     -0.00000
     73      11.0918     -0.00000
     74      11.6185      0.00000
     75      12.2506      0.00000
     76      12.9627      0.00000
     77      13.1816      0.00000
     78      13.9022      0.00000
     79      13.9202      0.00000
     80      14.0596      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4498      2.00000
      9      -0.1473      2.00000
     10      -0.0124      2.00000
     11       0.1314      2.00000
     12       0.5366      2.00000
     13       0.5753      2.00000
     14       0.6461      2.00000
     15       0.7568      2.00000
     16       0.8633      2.00000
     17       0.9526      2.00000
     18       1.0000      2.00000
     19       1.0527      2.00000
     20       1.1086      2.00000
     21       1.1689      2.00000
     22       1.2247      2.00000
     23       1.3164      2.00000
     24       1.3938      2.00000
     25       1.4733      2.00000
     26       1.5047      2.00000
     27       1.5495      2.00000
     28       1.6007      2.00000
     29       1.7157      2.00000
     30       1.7565      2.00000
     31       1.7959      2.00000
     32       1.8983      2.00000
     33       1.9594      2.00000
     34       1.9714      2.00000
     35       2.0557      2.00000
     36       2.1816      2.00000
     37       2.1928      2.00000
     38       2.2896      2.00000
     39       2.3307      2.00000
     40       2.3578      2.00000
     41       2.4770      2.00000
     42       2.4976      2.00000
     43       2.5872      2.00000
     44       2.6174      2.00000
     45       2.6797      2.00000
     46       2.7713      2.00000
     47       2.8030      2.00000
     48       2.8158      2.00000
     49       2.9022      2.00000
     50       3.1247      2.00000
     51       3.1788      2.00000
     52       3.2331      2.00000
     53       3.5181      2.00000
     54       3.5743      2.00000
     55       3.6870      2.00000
     56       3.8811      2.00000
     57       4.4463      2.00000
     58       4.5836      2.00000
     59       4.9799      2.00000
     60       5.4266      2.00022
     61       5.7574      2.06852
     62       5.8239      2.04725
     63       6.7164     -0.00001
     64       6.9932     -0.00000
     65       7.2938     -0.00000
     66       7.5160     -0.00000
     67       9.0284     -0.00000
     68       9.4058     -0.00000
     69      10.1134     -0.00000
     70      10.5226     -0.00000
     71      10.8637     -0.00000
     72      11.2144     -0.00000
     73      11.4078     -0.00000
     74      11.6858      0.00000
     75      12.0216      0.00000
     76      12.6559      0.00000
     77      13.4658      0.00000
     78      13.5673      0.00000
     79      14.0978      0.00000
     80      14.1517      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.1373      2.00000
      9      -0.5365      2.00000
     10       0.1056      2.00000
     11       0.1279      2.00000
     12       0.5079      2.00000
     13       0.5858      2.00000
     14       0.6524      2.00000
     15       0.6890      2.00000
     16       0.7995      2.00000
     17       0.8219      2.00000
     18       0.8463      2.00000
     19       0.9374      2.00000
     20       1.0962      2.00000
     21       1.1368      2.00000
     22       1.1775      2.00000
     23       1.2053      2.00000
     24       1.3202      2.00000
     25       1.3649      2.00000
     26       1.4042      2.00000
     27       1.4455      2.00000
     28       1.5129      2.00000
     29       1.5706      2.00000
     30       1.6931      2.00000
     31       1.7379      2.00000
     32       1.8774      2.00000
     33       1.9188      2.00000
     34       1.9739      2.00000
     35       2.1199      2.00000
     36       2.1656      2.00000
     37       2.2434      2.00000
     38       2.2877      2.00000
     39       2.3524      2.00000
     40       2.4271      2.00000
     41       2.5175      2.00000
     42       2.5727      2.00000
     43       2.6627      2.00000
     44       2.6957      2.00000
     45       2.7664      2.00000
     46       2.8095      2.00000
     47       2.8537      2.00000
     48       2.9118      2.00000
     49       2.9635      2.00000
     50       3.0811      2.00000
     51       3.1236      2.00000
     52       3.2088      2.00000
     53       3.3498      2.00000
     54       3.5135      2.00000
     55       3.7041      2.00000
     56       4.1250      2.00000
     57       4.6071      2.00000
     58       4.9836      2.00000
     59       5.3628      2.00003
     60       5.6899      2.04096
     61       6.0312      0.91480
     62       6.2210     -0.05006
     63       6.7033     -0.00002
     64       7.1792     -0.00000
     65       7.6239     -0.00000
     66       8.7449     -0.00000
     67       8.9084     -0.00000
     68       9.3594     -0.00000
     69      10.4071     -0.00000
     70      10.6123     -0.00000
     71      11.0194     -0.00000
     72      11.6273      0.00000
     73      12.2231      0.00000
     74      12.5031      0.00000
     75      12.8228      0.00000
     76      13.3595      0.00000
     77      13.5929      0.00000
     78      14.0797      0.00000
     79      14.2388      0.00000
     80      14.4822      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.6587      2.00000
      9      -0.8896      2.00000
     10       0.1415      2.00000
     11       0.2610      2.00000
     12       0.3104      2.00000
     13       0.3224      2.00000
     14       0.3991      2.00000
     15       0.6230      2.00000
     16       0.6442      2.00000
     17       0.6661      2.00000
     18       0.7525      2.00000
     19       0.8551      2.00000
     20       0.9363      2.00000
     21       1.0573      2.00000
     22       1.1246      2.00000
     23       1.1804      2.00000
     24       1.2189      2.00000
     25       1.2759      2.00000
     26       1.3790      2.00000
     27       1.3930      2.00000
     28       1.4750      2.00000
     29       1.5932      2.00000
     30       1.6922      2.00000
     31       1.7416      2.00000
     32       1.8462      2.00000
     33       1.8544      2.00000
     34       2.0330      2.00000
     35       2.1585      2.00000
     36       2.1928      2.00000
     37       2.2336      2.00000
     38       2.2648      2.00000
     39       2.3711      2.00000
     40       2.4454      2.00000
     41       2.5165      2.00000
     42       2.6253      2.00000
     43       2.6566      2.00000
     44       2.7808      2.00000
     45       2.8302      2.00000
     46       2.8786      2.00000
     47       2.9551      2.00000
     48       2.9878      2.00000
     49       3.1162      2.00000
     50       3.1888      2.00000
     51       3.2094      2.00000
     52       3.2962      2.00000
     53       3.4796      2.00000
     54       3.7186      2.00000
     55       3.9418      2.00000
     56       3.9656      2.00000
     57       4.1989      2.00000
     58       4.6023      2.00000
     59       5.0580      2.00000
     60       5.6539      2.02614
     61       6.7450     -0.00000
     62       7.3438     -0.00000
     63       7.6665     -0.00000
     64       8.2665     -0.00000
     65       8.4750     -0.00000
     66       8.5686     -0.00000
     67       9.0107     -0.00000
     68       9.2297     -0.00000
     69      11.3385     -0.00000
     70      12.1292      0.00000
     71      12.4225      0.00000
     72      12.6619      0.00000
     73      12.8390      0.00000
     74      13.1011      0.00000
     75      13.2887      0.00000
     76      13.5484      0.00000
     77      13.7131      0.00000
     78      13.7834      0.00000
     79      13.8902      0.00000
     80      14.0676      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6611      2.00000
      9      -0.7763      2.00000
     10      -0.6013      2.00000
     11       0.0763      2.00000
     12       0.2626      2.00000
     13       0.3774      2.00000
     14       0.3916      2.00000
     15       0.5504      2.00000
     16       0.6306      2.00000
     17       0.7410      2.00000
     18       0.7418      2.00000
     19       0.8353      2.00000
     20       0.8899      2.00000
     21       0.9236      2.00000
     22       1.0482      2.00000
     23       1.1033      2.00000
     24       1.1343      2.00000
     25       1.2350      2.00000
     26       1.3260      2.00000
     27       1.3558      2.00000
     28       1.4888      2.00000
     29       1.6061      2.00000
     30       1.6172      2.00000
     31       1.7826      2.00000
     32       1.9048      2.00000
     33       1.9072      2.00000
     34       2.0936      2.00000
     35       2.1483      2.00000
     36       2.2267      2.00000
     37       2.3509      2.00000
     38       2.4409      2.00000
     39       2.4655      2.00000
     40       2.4725      2.00000
     41       2.5418      2.00000
     42       2.6195      2.00000
     43       2.6818      2.00000
     44       2.6881      2.00000
     45       2.8173      2.00000
     46       2.8735      2.00000
     47       2.9567      2.00000
     48       2.9797      2.00000
     49       3.1529      2.00000
     50       3.2332      2.00000
     51       3.3200      2.00000
     52       3.3406      2.00000
     53       3.4433      2.00000
     54       3.5347      2.00000
     55       3.7185      2.00000
     56       3.7530      2.00000
     57       3.9918      2.00000
     58       4.2030      2.00000
     59       5.8158      2.05537
     60       7.2654     -0.00000
     61       7.4245     -0.00000
     62       7.4641     -0.00000
     63       7.7575     -0.00000
     64       8.2387     -0.00000
     65       8.7273     -0.00000
     66       9.2672     -0.00000
     67       9.8844     -0.00000
     68      10.4848     -0.00000
     69      10.6599     -0.00000
     70      11.2214     -0.00000
     71      11.2654     -0.00000
     72      11.4335     -0.00000
     73      12.4111      0.00000
     74      12.9884      0.00000
     75      13.1492      0.00000
     76      13.1902      0.00000
     77      13.4175      0.00000
     78      13.8914      0.00000
     79      13.9072      0.00000
     80      14.5970      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6094      2.00000
      7     -39.5960      2.00000
      8      -1.3932      2.00000
      9      -0.7693      2.00000
     10      -0.4088      2.00000
     11       0.1165      2.00000
     12       0.1918      2.00000
     13       0.4722      2.00000
     14       0.5382      2.00000
     15       0.6263      2.00000
     16       0.6439      2.00000
     17       0.7457      2.00000
     18       0.7602      2.00000
     19       0.9192      2.00000
     20       0.9577      2.00000
     21       0.9919      2.00000
     22       0.9976      2.00000
     23       1.1034      2.00000
     24       1.1681      2.00000
     25       1.1907      2.00000
     26       1.3334      2.00000
     27       1.3555      2.00000
     28       1.5603      2.00000
     29       1.6171      2.00000
     30       1.7309      2.00000
     31       1.7693      2.00000
     32       1.8290      2.00000
     33       1.9648      2.00000
     34       2.0211      2.00000
     35       2.0511      2.00000
     36       2.1509      2.00000
     37       2.2809      2.00000
     38       2.2811      2.00000
     39       2.3629      2.00000
     40       2.5175      2.00000
     41       2.5566      2.00000
     42       2.6461      2.00000
     43       2.7094      2.00000
     44       2.7439      2.00000
     45       2.8009      2.00000
     46       2.8957      2.00000
     47       2.9240      2.00000
     48       3.0139      2.00000
     49       3.1085      2.00000
     50       3.1589      2.00000
     51       3.2230      2.00000
     52       3.3509      2.00000
     53       3.3736      2.00000
     54       3.5675      2.00000
     55       3.7860      2.00000
     56       3.8442      2.00000
     57       3.9896      2.00000
     58       4.2331      2.00000
     59       6.2152     -0.04352
     60       6.5072     -0.00314
     61       7.3902     -0.00000
     62       7.7805     -0.00000
     63       7.8904     -0.00000
     64       8.3543     -0.00000
     65       8.5589     -0.00000
     66       8.8116     -0.00000
     67       8.8385     -0.00000
     68       9.6460     -0.00000
     69      10.2125     -0.00000
     70      10.6335     -0.00000
     71      10.7735     -0.00000
     72      11.1164     -0.00000
     73      11.9499      0.00000
     74      12.3019      0.00000
     75      12.6569      0.00000
     76      13.1711      0.00000
     77      13.6192      0.00000
     78      13.9386      0.00000
     79      14.2771      0.00000
     80      14.6682      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.9060      2.00000
      9      -0.3812      2.00000
     10      -0.0393      2.00000
     11       0.0625      2.00000
     12       0.4444      2.00000
     13       0.4973      2.00000
     14       0.5986      2.00000
     15       0.6958      2.00000
     16       0.7556      2.00000
     17       0.7601      2.00000
     18       0.8273      2.00000
     19       0.8895      2.00000
     20       1.0028      2.00000
     21       1.0386      2.00000
     22       1.1597      2.00000
     23       1.2379      2.00000
     24       1.2913      2.00000
     25       1.3788      2.00000
     26       1.4192      2.00000
     27       1.4946      2.00000
     28       1.6136      2.00000
     29       1.6587      2.00000
     30       1.7182      2.00000
     31       1.7897      2.00000
     32       1.8404      2.00000
     33       1.9267      2.00000
     34       1.9819      2.00000
     35       2.0321      2.00000
     36       2.0748      2.00000
     37       2.2198      2.00000
     38       2.2557      2.00000
     39       2.2906      2.00000
     40       2.4068      2.00000
     41       2.5557      2.00000
     42       2.6256      2.00000
     43       2.6371      2.00000
     44       2.7109      2.00000
     45       2.7415      2.00000
     46       2.8350      2.00000
     47       2.8700      2.00000
     48       2.9070      2.00000
     49       2.9370      2.00000
     50       3.0365      2.00000
     51       3.1367      2.00000
     52       3.3074      2.00000
     53       3.3430      2.00000
     54       3.4897      2.00000
     55       3.5731      2.00000
     56       3.7534      2.00000
     57       4.4176      2.00000
     58       5.2228      2.00000
     59       5.2917      2.00000
     60       5.9565      1.51709
     61       7.0579     -0.00000
     62       7.1883     -0.00000
     63       7.3413     -0.00000
     64       7.4459     -0.00000
     65       8.1658     -0.00000
     66       8.4077     -0.00000
     67       8.6218     -0.00000
     68       9.0585     -0.00000
     69       9.3317     -0.00000
     70       9.8309     -0.00000
     71      10.7680     -0.00000
     72      10.9758     -0.00000
     73      11.2770     -0.00000
     74      11.6046      0.00000
     75      12.5179      0.00000
     76      13.0953      0.00000
     77      13.4169      0.00000
     78      13.6717      0.00000
     79      13.9119      0.00000
     80      14.1264      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6046      2.00000
      7     -39.6011      2.00000
      8      -0.3891      2.00000
      9      -0.0749      2.00000
     10       0.1031      2.00000
     11       0.1589      2.00000
     12       0.4580      2.00000
     13       0.4943      2.00000
     14       0.5530      2.00000
     15       0.6745      2.00000
     16       0.7846      2.00000
     17       0.9116      2.00000
     18       0.9435      2.00000
     19       1.1144      2.00000
     20       1.1688      2.00000
     21       1.2168      2.00000
     22       1.2390      2.00000
     23       1.3311      2.00000
     24       1.4133      2.00000
     25       1.4428      2.00000
     26       1.4879      2.00000
     27       1.5633      2.00000
     28       1.6222      2.00000
     29       1.6631      2.00000
     30       1.7195      2.00000
     31       1.8306      2.00000
     32       1.9145      2.00000
     33       1.9636      2.00000
     34       2.0356      2.00000
     35       2.1085      2.00000
     36       2.1216      2.00000
     37       2.2028      2.00000
     38       2.3005      2.00000
     39       2.3142      2.00000
     40       2.3573      2.00000
     41       2.4698      2.00000
     42       2.5315      2.00000
     43       2.5559      2.00000
     44       2.6286      2.00000
     45       2.6995      2.00000
     46       2.7403      2.00000
     47       2.8169      2.00000
     48       2.8387      2.00000
     49       2.9527      2.00000
     50       3.0744      2.00000
     51       3.1839      2.00000
     52       3.2867      2.00000
     53       3.3434      2.00000
     54       3.4713      2.00000
     55       3.5909      2.00000
     56       3.7902      2.00000
     57       4.0911      2.00000
     58       4.2995      2.00000
     59       5.4719      2.00072
     60       5.8612      1.97999
     61       6.0247      0.96996
     62       6.3389     -0.04717
     63       6.7283     -0.00001
     64       7.1277     -0.00000
     65       7.6080     -0.00000
     66       8.0712     -0.00000
     67       8.3363     -0.00000
     68       8.9244     -0.00000
     69       9.4390     -0.00000
     70      10.2378     -0.00000
     71      10.4207     -0.00000
     72      10.5672     -0.00000
     73      11.3179     -0.00000
     74      11.8297      0.00000
     75      12.1668      0.00000
     76      12.9422      0.00000
     77      13.0176      0.00000
     78      13.6859      0.00000
     79      14.0009      0.00000
     80      14.6436      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4452      2.00000
      9      -0.1480      2.00000
     10       0.0493      2.00000
     11       0.1344      2.00000
     12       0.4984      2.00000
     13       0.5332      2.00000
     14       0.6331      2.00000
     15       0.7159      2.00000
     16       0.8982      2.00000
     17       0.9227      2.00000
     18       1.0363      2.00000
     19       1.0777      2.00000
     20       1.1380      2.00000
     21       1.1824      2.00000
     22       1.2552      2.00000
     23       1.2983      2.00000
     24       1.3932      2.00000
     25       1.4148      2.00000
     26       1.4604      2.00000
     27       1.5084      2.00000
     28       1.6606      2.00000
     29       1.6983      2.00000
     30       1.7438      2.00000
     31       1.7970      2.00000
     32       1.8752      2.00000
     33       1.9154      2.00000
     34       2.0084      2.00000
     35       2.0803      2.00000
     36       2.1875      2.00000
     37       2.2132      2.00000
     38       2.2853      2.00000
     39       2.3522      2.00000
     40       2.3721      2.00000
     41       2.4525      2.00000
     42       2.5065      2.00000
     43       2.5544      2.00000
     44       2.6566      2.00000
     45       2.6917      2.00000
     46       2.7437      2.00000
     47       2.8146      2.00000
     48       2.8850      2.00000
     49       2.9079      2.00000
     50       3.1125      2.00000
     51       3.1671      2.00000
     52       3.2538      2.00000
     53       3.4785      2.00000
     54       3.5663      2.00000
     55       3.6044      2.00000
     56       3.8994      2.00000
     57       4.3441      2.00000
     58       4.8623      2.00000
     59       5.0048      2.00000
     60       5.2095      2.00000
     61       5.6165      2.01482
     62       5.8127      2.05794
     63       6.7221     -0.00001
     64       7.1830     -0.00000
     65       7.6967     -0.00000
     66       7.8811     -0.00000
     67       8.7081     -0.00000
     68       9.4997     -0.00000
     69       9.9577     -0.00000
     70      10.1294     -0.00000
     71      10.4739     -0.00000
     72      10.5921     -0.00000
     73      11.1478     -0.00000
     74      11.8192      0.00000
     75      12.2375      0.00000
     76      12.7475      0.00000
     77      13.5924      0.00000
     78      14.0682      0.00000
     79      14.3231      0.00000
     80      14.4707      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.0789      2.00000
      9      -0.3679      2.00000
     10      -0.1149      2.00000
     11       0.2728      2.00000
     12       0.4388      2.00000
     13       0.5119      2.00000
     14       0.5445      2.00000
     15       0.6822      2.00000
     16       0.7863      2.00000
     17       0.8426      2.00000
     18       0.9199      2.00000
     19       0.9509      2.00000
     20       1.0522      2.00000
     21       1.0846      2.00000
     22       1.1728      2.00000
     23       1.2207      2.00000
     24       1.2701      2.00000
     25       1.3244      2.00000
     26       1.4152      2.00000
     27       1.4558      2.00000
     28       1.5523      2.00000
     29       1.6113      2.00000
     30       1.7728      2.00000
     31       1.8215      2.00000
     32       1.8468      2.00000
     33       1.9674      2.00000
     34       1.9976      2.00000
     35       2.0549      2.00000
     36       2.1075      2.00000
     37       2.1354      2.00000
     38       2.2091      2.00000
     39       2.3320      2.00000
     40       2.4310      2.00000
     41       2.4722      2.00000
     42       2.6069      2.00000
     43       2.6524      2.00000
     44       2.6850      2.00000
     45       2.7896      2.00000
     46       2.8199      2.00000
     47       2.8739      2.00000
     48       2.9261      2.00000
     49       2.9787      2.00000
     50       3.0848      2.00000
     51       3.1316      2.00000
     52       3.2399      2.00000
     53       3.3224      2.00000
     54       3.4528      2.00000
     55       3.6279      2.00000
     56       4.0779      2.00000
     57       4.2794      2.00000
     58       5.1855      2.00000
     59       5.7518      2.06704
     60       5.9285      1.69843
     61       6.1174      0.28098
     62       6.5421     -0.00143
     63       6.7814     -0.00000
     64       7.2728     -0.00000
     65       7.6601     -0.00000
     66       8.3390     -0.00000
     67       9.3847     -0.00000
     68       9.5339     -0.00000
     69       9.9892     -0.00000
     70      10.1788     -0.00000
     71      11.3450     -0.00000
     72      11.5018      0.00000
     73      11.7737      0.00000
     74      11.9575      0.00000
     75      12.2873      0.00000
     76      12.7728      0.00000
     77      13.3602      0.00000
     78      13.6887      0.00000
     79      13.8345      0.00000
     80      14.2114      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5557      2.00000
      9      -0.5523      2.00000
     10      -0.4645      2.00000
     11       0.2098      2.00000
     12       0.2351      2.00000
     13       0.4732      2.00000
     14       0.5248      2.00000
     15       0.5950      2.00000
     16       0.6332      2.00000
     17       0.6733      2.00000
     18       0.7973      2.00000
     19       0.9030      2.00000
     20       0.9482      2.00000
     21       0.9893      2.00000
     22       1.0149      2.00000
     23       1.1210      2.00000
     24       1.1623      2.00000
     25       1.2204      2.00000
     26       1.3882      2.00000
     27       1.4345      2.00000
     28       1.4880      2.00000
     29       1.5983      2.00000
     30       1.6421      2.00000
     31       1.7287      2.00000
     32       1.8719      2.00000
     33       1.8893      2.00000
     34       2.0170      2.00000
     35       2.1079      2.00000
     36       2.2069      2.00000
     37       2.2696      2.00000
     38       2.3465      2.00000
     39       2.3723      2.00000
     40       2.4415      2.00000
     41       2.5882      2.00000
     42       2.6784      2.00000
     43       2.7063      2.00000
     44       2.7384      2.00000
     45       2.8429      2.00000
     46       2.8675      2.00000
     47       2.8952      2.00000
     48       3.0581      2.00000
     49       3.0931      2.00000
     50       3.1697      2.00000
     51       3.2298      2.00000
     52       3.2358      2.00000
     53       3.5338      2.00000
     54       3.6186      2.00000
     55       3.6546      2.00000
     56       3.8517      2.00000
     57       3.9791      2.00000
     58       4.4855      2.00000
     59       5.6778      2.03563
     60       6.3674     -0.03442
     61       6.7091     -0.00001
     62       7.5096     -0.00000
     63       7.9724     -0.00000
     64       8.6863     -0.00000
     65       8.8833     -0.00000
     66       9.2142     -0.00000
     67       9.3773     -0.00000
     68       9.4740     -0.00000
     69       9.7950     -0.00000
     70      10.5238     -0.00000
     71      11.1877     -0.00000
     72      11.5471      0.00000
     73      12.0647      0.00000
     74      12.2489      0.00000
     75      13.0209      0.00000
     76      13.2528      0.00000
     77      13.2971      0.00000
     78      13.8602      0.00000
     79      14.5954      0.00000
     80      14.6821      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6521      2.00000
      5     -39.6514      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6120      2.00000
      9      -0.8260      2.00000
     10      -0.5694      2.00000
     11       0.0742      2.00000
     12       0.1499      2.00000
     13       0.3617      2.00000
     14       0.3921      2.00000
     15       0.5499      2.00000
     16       0.6419      2.00000
     17       0.7659      2.00000
     18       0.7900      2.00000
     19       0.8717      2.00000
     20       0.8762      2.00000
     21       0.9207      2.00000
     22       1.0173      2.00000
     23       1.0308      2.00000
     24       1.0768      2.00000
     25       1.2548      2.00000
     26       1.3107      2.00000
     27       1.3794      2.00000
     28       1.4802      2.00000
     29       1.6268      2.00000
     30       1.6738      2.00000
     31       1.7617      2.00000
     32       1.8385      2.00000
     33       1.9583      2.00000
     34       2.0158      2.00000
     35       2.1729      2.00000
     36       2.2048      2.00000
     37       2.3317      2.00000
     38       2.4295      2.00000
     39       2.4660      2.00000
     40       2.4722      2.00000
     41       2.5153      2.00000
     42       2.6313      2.00000
     43       2.6393      2.00000
     44       2.6601      2.00000
     45       2.8310      2.00000
     46       2.8415      2.00000
     47       2.9520      2.00000
     48       2.9540      2.00000
     49       2.9845      2.00000
     50       3.1954      2.00000
     51       3.2560      2.00000
     52       3.4592      2.00000
     53       3.5533      2.00000
     54       3.6572      2.00000
     55       3.9687      2.00000
     56       4.0685      2.00000
     57       4.2154      2.00000
     58       4.6005      2.00000
     59       5.8694      1.95739
     60       6.1251      0.23840
     61       6.6490     -0.00008
     62       7.3669     -0.00000
     63       8.0059     -0.00000
     64       8.2540     -0.00000
     65       8.6574     -0.00000
     66       9.1145     -0.00000
     67       9.1704     -0.00000
     68      10.9131     -0.00000
     69      11.4441     -0.00000
     70      11.6359      0.00000
     71      11.9473      0.00000
     72      12.3456      0.00000
     73      12.6312      0.00000
     74      13.1719      0.00000
     75      13.2126      0.00000
     76      13.3651      0.00000
     77      13.4031      0.00000
     78      13.8340      0.00000
     79      13.8584      0.00000
     80      14.0929      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6520      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.3564      2.00000
      9      -0.6626      2.00000
     10      -0.5400      2.00000
     11       0.0550      2.00000
     12       0.1880      2.00000
     13       0.4679      2.00000
     14       0.5577      2.00000
     15       0.6238      2.00000
     16       0.6371      2.00000
     17       0.7498      2.00000
     18       0.7919      2.00000
     19       0.9133      2.00000
     20       0.9251      2.00000
     21       0.9525      2.00000
     22       0.9838      2.00000
     23       1.0995      2.00000
     24       1.1266      2.00000
     25       1.1801      2.00000
     26       1.3722      2.00000
     27       1.4329      2.00000
     28       1.6005      2.00000
     29       1.6164      2.00000
     30       1.6810      2.00000
     31       1.7241      2.00000
     32       1.7751      2.00000
     33       1.9367      2.00000
     34       2.0218      2.00000
     35       2.0798      2.00000
     36       2.1926      2.00000
     37       2.2146      2.00000
     38       2.2832      2.00000
     39       2.4589      2.00000
     40       2.4823      2.00000
     41       2.5396      2.00000
     42       2.6427      2.00000
     43       2.6859      2.00000
     44       2.7303      2.00000
     45       2.7519      2.00000
     46       2.8479      2.00000
     47       2.8902      2.00000
     48       2.9889      2.00000
     49       3.0688      2.00000
     50       3.1432      2.00000
     51       3.1662      2.00000
     52       3.3197      2.00000
     53       3.4424      2.00000
     54       3.5243      2.00000
     55       3.7677      2.00000
     56       3.8986      2.00000
     57       5.0241      2.00000
     58       5.1328      2.00000
     59       5.6135      2.01410
     60       6.0411      0.83233
     61       6.8609     -0.00000
     62       7.3583     -0.00000
     63       7.5105     -0.00000
     64       7.7029     -0.00000
     65       8.1194     -0.00000
     66       8.2645     -0.00000
     67       9.9530     -0.00000
     68      10.3788     -0.00000
     69      10.5488     -0.00000
     70      11.0056     -0.00000
     71      11.1679     -0.00000
     72      11.6648      0.00000
     73      12.3348      0.00000
     74      12.4658      0.00000
     75      12.9845      0.00000
     76      13.1748      0.00000
     77      13.6608      0.00000
     78      13.7997      0.00000
     79      14.0938      0.00000
     80      14.3701      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.8980      2.00000
      9      -0.3639      2.00000
     10      -0.0490      2.00000
     11       0.0293      2.00000
     12       0.4716      2.00000
     13       0.4981      2.00000
     14       0.5826      2.00000
     15       0.6993      2.00000
     16       0.7365      2.00000
     17       0.7740      2.00000
     18       0.8305      2.00000
     19       0.8812      2.00000
     20       0.9999      2.00000
     21       1.0276      2.00000
     22       1.1383      2.00000
     23       1.2436      2.00000
     24       1.3397      2.00000
     25       1.3890      2.00000
     26       1.4629      2.00000
     27       1.5169      2.00000
     28       1.5581      2.00000
     29       1.5956      2.00000
     30       1.7533      2.00000
     31       1.8035      2.00000
     32       1.8737      2.00000
     33       1.9137      2.00000
     34       1.9688      2.00000
     35       2.0218      2.00000
     36       2.1306      2.00000
     37       2.1901      2.00000
     38       2.2314      2.00000
     39       2.2585      2.00000
     40       2.3287      2.00000
     41       2.5590      2.00000
     42       2.6130      2.00000
     43       2.6584      2.00000
     44       2.7260      2.00000
     45       2.7365      2.00000
     46       2.8506      2.00000
     47       2.8772      2.00000
     48       2.9161      2.00000
     49       2.9676      2.00000
     50       3.0498      2.00000
     51       3.1388      2.00000
     52       3.2778      2.00000
     53       3.3542      2.00000
     54       3.4170      2.00000
     55       3.5051      2.00000
     56       3.7179      2.00000
     57       4.7017      2.00000
     58       5.3887      2.00007
     59       5.6362      2.02022
     60       5.8394      2.02578
     61       6.6993     -0.00002
     62       6.9432     -0.00000
     63       7.1077     -0.00000
     64       7.2444     -0.00000
     65       8.4974     -0.00000
     66       8.5866     -0.00000
     67       8.7058     -0.00000
     68       8.9058     -0.00000
     69       9.2523     -0.00000
     70       9.6752     -0.00000
     71      10.8977     -0.00000
     72      11.0862     -0.00000
     73      11.2707     -0.00000
     74      11.7999      0.00000
     75      12.7562      0.00000
     76      13.0098      0.00000
     77      13.5253      0.00000
     78      13.7584      0.00000
     79      13.9974      0.00000
     80      14.3927      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6011      2.00000
      8      -0.3660      2.00000
      9      -0.1210      2.00000
     10       0.1010      2.00000
     11       0.1747      2.00000
     12       0.4652      2.00000
     13       0.5316      2.00000
     14       0.5914      2.00000
     15       0.6396      2.00000
     16       0.7473      2.00000
     17       0.9040      2.00000
     18       0.9514      2.00000
     19       1.0668      2.00000
     20       1.1537      2.00000
     21       1.1934      2.00000
     22       1.2443      2.00000
     23       1.3194      2.00000
     24       1.3964      2.00000
     25       1.4866      2.00000
     26       1.5135      2.00000
     27       1.5419      2.00000
     28       1.6254      2.00000
     29       1.7206      2.00000
     30       1.7411      2.00000
     31       1.8392      2.00000
     32       1.9088      2.00000
     33       1.9729      2.00000
     34       2.0439      2.00000
     35       2.1129      2.00000
     36       2.1767      2.00000
     37       2.2583      2.00000
     38       2.3088      2.00000
     39       2.3213      2.00000
     40       2.3827      2.00000
     41       2.4328      2.00000
     42       2.5206      2.00000
     43       2.5650      2.00000
     44       2.5849      2.00000
     45       2.6390      2.00000
     46       2.7059      2.00000
     47       2.7618      2.00000
     48       2.8094      2.00000
     49       2.9591      2.00000
     50       3.0486      2.00000
     51       3.1431      2.00000
     52       3.1843      2.00000
     53       3.3350      2.00000
     54       3.5372      2.00000
     55       3.6022      2.00000
     56       3.9593      2.00000
     57       4.1950      2.00000
     58       4.4177      2.00000
     59       5.2797      2.00000
     60       5.8359      2.03146
     61       5.9586      1.50152
     62       6.2599     -0.07060
     63       6.4699     -0.00674
     64       6.9980     -0.00000
     65       7.8666     -0.00000
     66       8.0369     -0.00000
     67       8.8290     -0.00000
     68       9.1490     -0.00000
     69       9.7289     -0.00000
     70       9.8582     -0.00000
     71      10.3746     -0.00000
     72      10.5816     -0.00000
     73      10.9640     -0.00000
     74      11.8544      0.00000
     75      12.4583      0.00000
     76      12.6230      0.00000
     77      13.3287      0.00000
     78      13.7211      0.00000
     79      14.3598      0.00000
     80      14.4513      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4377      2.00000
      9      -0.1369      2.00000
     10      -0.0166      2.00000
     11       0.1323      2.00000
     12       0.5474      2.00000
     13       0.5922      2.00000
     14       0.6479      2.00000
     15       0.7810      2.00000
     16       0.8055      2.00000
     17       0.9256      2.00000
     18       0.9682      2.00000
     19       1.0509      2.00000
     20       1.1120      2.00000
     21       1.1528      2.00000
     22       1.2418      2.00000
     23       1.3401      2.00000
     24       1.3884      2.00000
     25       1.4102      2.00000
     26       1.4908      2.00000
     27       1.5924      2.00000
     28       1.6710      2.00000
     29       1.7221      2.00000
     30       1.7706      2.00000
     31       1.8243      2.00000
     32       1.8892      2.00000
     33       1.9009      2.00000
     34       2.0060      2.00000
     35       2.1268      2.00000
     36       2.1824      2.00000
     37       2.2216      2.00000
     38       2.2466      2.00000
     39       2.3084      2.00000
     40       2.3974      2.00000
     41       2.4567      2.00000
     42       2.4939      2.00000
     43       2.5558      2.00000
     44       2.6231      2.00000
     45       2.6470      2.00000
     46       2.7310      2.00000
     47       2.7749      2.00000
     48       2.8262      2.00000
     49       2.8795      2.00000
     50       3.1374      2.00000
     51       3.1462      2.00000
     52       3.3474      2.00000
     53       3.4741      2.00000
     54       3.5788      2.00000
     55       3.6110      2.00000
     56       3.7787      2.00000
     57       4.3653      2.00000
     58       4.5641      2.00000
     59       5.1280      2.00000
     60       5.6229      2.01643
     61       5.7613      2.06936
     62       6.4086     -0.01948
     63       6.4999     -0.00367
     64       6.8365     -0.00000
     65       6.9996     -0.00000
     66       7.3797     -0.00000
     67       9.1077     -0.00000
     68       9.3495     -0.00000
     69      10.2489     -0.00000
     70      10.5577     -0.00000
     71      10.9182     -0.00000
     72      11.4186     -0.00000
     73      11.5701      0.00000
     74      11.8376      0.00000
     75      12.1819      0.00000
     76      12.6619      0.00000
     77      12.9352      0.00000
     78      13.1020      0.00000
     79      13.9038      0.00000
     80      14.2385      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.1070      2.00000
      9      -0.3069      2.00000
     10      -0.1690      2.00000
     11       0.2354      2.00000
     12       0.4827      2.00000
     13       0.5483      2.00000
     14       0.5772      2.00000
     15       0.6567      2.00000
     16       0.7737      2.00000
     17       0.8587      2.00000
     18       0.9313      2.00000
     19       1.0202      2.00000
     20       1.0926      2.00000
     21       1.1236      2.00000
     22       1.1694      2.00000
     23       1.1936      2.00000
     24       1.2244      2.00000
     25       1.2560      2.00000
     26       1.3577      2.00000
     27       1.4861      2.00000
     28       1.5525      2.00000
     29       1.6403      2.00000
     30       1.6874      2.00000
     31       1.7945      2.00000
     32       1.8413      2.00000
     33       1.9709      2.00000
     34       2.0398      2.00000
     35       2.1032      2.00000
     36       2.1651      2.00000
     37       2.2223      2.00000
     38       2.2441      2.00000
     39       2.3053      2.00000
     40       2.3399      2.00000
     41       2.5289      2.00000
     42       2.6217      2.00000
     43       2.6468      2.00000
     44       2.7227      2.00000
     45       2.7373      2.00000
     46       2.7816      2.00000
     47       2.8212      2.00000
     48       2.9424      2.00000
     49       3.0001      2.00000
     50       3.0675      2.00000
     51       3.1411      2.00000
     52       3.2073      2.00000
     53       3.4286      2.00000
     54       3.4676      2.00000
     55       3.5699      2.00000
     56       3.7212      2.00000
     57       4.5340      2.00000
     58       4.7908      2.00000
     59       5.4113      2.00014
     60       5.9597      1.49374
     61       6.4812     -0.00540
     62       6.8150     -0.00000
     63       7.0941     -0.00000
     64       7.3919     -0.00000
     65       8.0532     -0.00000
     66       8.6699     -0.00000
     67       8.7641     -0.00000
     68       9.3422     -0.00000
     69       9.8376     -0.00000
     70       9.9233     -0.00000
     71      10.6651     -0.00000
     72      11.1767     -0.00000
     73      11.8822      0.00000
     74      12.1944      0.00000
     75      12.6577      0.00000
     76      13.2256      0.00000
     77      13.9624      0.00000
     78      14.0416      0.00000
     79      14.3719      0.00000
     80      14.4136      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5476      2.00000
      9      -0.6238      2.00000
     10      -0.3809      2.00000
     11       0.1899      2.00000
     12       0.2328      2.00000
     13       0.4370      2.00000
     14       0.5252      2.00000
     15       0.5870      2.00000
     16       0.6321      2.00000
     17       0.6928      2.00000
     18       0.8084      2.00000
     19       0.9168      2.00000
     20       0.9453      2.00000
     21       0.9846      2.00000
     22       1.0479      2.00000
     23       1.1335      2.00000
     24       1.1613      2.00000
     25       1.2514      2.00000
     26       1.2727      2.00000
     27       1.3861      2.00000
     28       1.5934      2.00000
     29       1.6448      2.00000
     30       1.7093      2.00000
     31       1.7606      2.00000
     32       1.8225      2.00000
     33       1.8701      2.00000
     34       1.9933      2.00000
     35       2.0357      2.00000
     36       2.1228      2.00000
     37       2.3108      2.00000
     38       2.3472      2.00000
     39       2.4468      2.00000
     40       2.5168      2.00000
     41       2.5283      2.00000
     42       2.6081      2.00000
     43       2.6761      2.00000
     44       2.7013      2.00000
     45       2.7961      2.00000
     46       2.8464      2.00000
     47       2.9052      2.00000
     48       3.0522      2.00000
     49       3.0957      2.00000
     50       3.2131      2.00000
     51       3.2328      2.00000
     52       3.3011      2.00000
     53       3.4045      2.00000
     54       3.5916      2.00000
     55       3.7989      2.00000
     56       3.8181      2.00000
     57       3.9792      2.00000
     58       4.7540      2.00000
     59       5.6595      2.02822
     60       6.5614     -0.00090
     61       6.8486     -0.00000
     62       7.4495     -0.00000
     63       7.8326     -0.00000
     64       7.8886     -0.00000
     65       8.4233     -0.00000
     66       9.0538     -0.00000
     67       9.2266     -0.00000
     68       9.9907     -0.00000
     69      10.4766     -0.00000
     70      10.7263     -0.00000
     71      11.1417     -0.00000
     72      11.4815      0.00000
     73      12.1380      0.00000
     74      12.6628      0.00000
     75      13.0038      0.00000
     76      13.3590      0.00000
     77      13.4990      0.00000
     78      13.9074      0.00000
     79      14.3214      0.00000
     80      14.5415      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9181      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6521      2.00000
      5     -39.6514      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6063      2.00000
      9      -0.7800      2.00000
     10      -0.6556      2.00000
     11       0.0681      2.00000
     12       0.1925      2.00000
     13       0.3579      2.00000
     14       0.3897      2.00000
     15       0.5671      2.00000
     16       0.6153      2.00000
     17       0.7292      2.00000
     18       0.7867      2.00000
     19       0.8482      2.00000
     20       0.9094      2.00000
     21       0.9270      2.00000
     22       1.0670      2.00000
     23       1.1151      2.00000
     24       1.1530      2.00000
     25       1.2466      2.00000
     26       1.2615      2.00000
     27       1.2720      2.00000
     28       1.4715      2.00000
     29       1.6055      2.00000
     30       1.6227      2.00000
     31       1.7502      2.00000
     32       1.7917      2.00000
     33       1.9146      2.00000
     34       2.1283      2.00000
     35       2.1601      2.00000
     36       2.3479      2.00000
     37       2.3572      2.00000
     38       2.3950      2.00000
     39       2.4416      2.00000
     40       2.4716      2.00000
     41       2.5389      2.00000
     42       2.6352      2.00000
     43       2.6679      2.00000
     44       2.7316      2.00000
     45       2.8022      2.00000
     46       2.8491      2.00000
     47       2.8994      2.00000
     48       2.9451      2.00000
     49       3.0422      2.00000
     50       3.1806      2.00000
     51       3.2289      2.00000
     52       3.3979      2.00000
     53       3.5936      2.00000
     54       3.6454      2.00000
     55       3.9603      2.00000
     56       4.0604      2.00000
     57       4.2346      2.00000
     58       4.4638      2.00000
     59       5.6829      2.03786
     60       6.2405     -0.06493
     61       6.6952     -0.00002
     62       7.5164     -0.00000
     63       7.8894     -0.00000
     64       8.1387     -0.00000
     65       8.8104     -0.00000
     66       9.3808     -0.00000
     67       9.5944     -0.00000
     68      10.7429     -0.00000
     69      10.8981     -0.00000
     70      11.4766     -0.00000
     71      11.9830      0.00000
     72      12.0826      0.00000
     73      12.5167      0.00000
     74      12.8958      0.00000
     75      13.0122      0.00000
     76      13.2941      0.00000
     77      13.4452      0.00000
     78      13.9038      0.00000
     79      14.0591      0.00000
     80      14.3409      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.3885      2.00000
      9      -0.7286      2.00000
     10      -0.4698      2.00000
     11       0.1204      2.00000
     12       0.1882      2.00000
     13       0.4802      2.00000
     14       0.5501      2.00000
     15       0.6313      2.00000
     16       0.6376      2.00000
     17       0.7497      2.00000
     18       0.7702      2.00000
     19       0.9310      2.00000
     20       0.9364      2.00000
     21       0.9542      2.00000
     22       0.9836      2.00000
     23       1.1213      2.00000
     24       1.1640      2.00000
     25       1.1844      2.00000
     26       1.3713      2.00000
     27       1.3827      2.00000
     28       1.5181      2.00000
     29       1.6190      2.00000
     30       1.6337      2.00000
     31       1.7964      2.00000
     32       1.8453      2.00000
     33       1.9645      2.00000
     34       1.9910      2.00000
     35       2.1674      2.00000
     36       2.2049      2.00000
     37       2.2238      2.00000
     38       2.2598      2.00000
     39       2.3094      2.00000
     40       2.5385      2.00000
     41       2.5788      2.00000
     42       2.6259      2.00000
     43       2.6984      2.00000
     44       2.7456      2.00000
     45       2.8173      2.00000
     46       2.9000      2.00000
     47       2.9604      2.00000
     48       3.0061      2.00000
     49       3.1155      2.00000
     50       3.1595      2.00000
     51       3.2003      2.00000
     52       3.3136      2.00000
     53       3.4039      2.00000
     54       3.5618      2.00000
     55       3.7480      2.00000
     56       3.9028      2.00000
     57       4.0363      2.00000
     58       4.2912      2.00000
     59       6.2430     -0.06612
     60       6.6643     -0.00005
     61       7.1188     -0.00000
     62       7.3139     -0.00000
     63       8.0059     -0.00000
     64       8.2288     -0.00000
     65       8.3887     -0.00000
     66       8.7935     -0.00000
     67       9.5644     -0.00000
     68       9.8261     -0.00000
     69      10.1398     -0.00000
     70      10.3474     -0.00000
     71      10.8683     -0.00000
     72      11.3411     -0.00000
     73      12.0533      0.00000
     74      12.2109      0.00000
     75      12.6335      0.00000
     76      13.1425      0.00000
     77      13.5576      0.00000
     78      13.7540      0.00000
     79      14.3207      0.00000
     80      14.6259      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.9124      2.00000
      9      -0.4505      2.00000
     10       0.0463      2.00000
     11       0.0965      2.00000
     12       0.3977      2.00000
     13       0.4990      2.00000
     14       0.6483      2.00000
     15       0.6729      2.00000
     16       0.7397      2.00000
     17       0.7805      2.00000
     18       0.8204      2.00000
     19       0.9071      2.00000
     20       1.0215      2.00000
     21       1.0467      2.00000
     22       1.1262      2.00000
     23       1.2329      2.00000
     24       1.2751      2.00000
     25       1.2969      2.00000
     26       1.3817      2.00000
     27       1.4657      2.00000
     28       1.6749      2.00000
     29       1.7002      2.00000
     30       1.7883      2.00000
     31       1.8261      2.00000
     32       1.8550      2.00000
     33       1.9126      2.00000
     34       1.9739      2.00000
     35       2.0008      2.00000
     36       2.0311      2.00000
     37       2.2394      2.00000
     38       2.2983      2.00000
     39       2.3526      2.00000
     40       2.4847      2.00000
     41       2.5217      2.00000
     42       2.5722      2.00000
     43       2.6912      2.00000
     44       2.7098      2.00000
     45       2.7446      2.00000
     46       2.7649      2.00000
     47       2.8582      2.00000
     48       2.8829      2.00000
     49       2.9159      2.00000
     50       3.0765      2.00000
     51       3.1688      2.00000
     52       3.3341      2.00000
     53       3.3490      2.00000
     54       3.5879      2.00000
     55       3.7540      2.00000
     56       3.8255      2.00000
     57       4.0266      2.00000
     58       4.6318      2.00000
     59       4.8235      2.00000
     60       6.5764     -0.00062
     61       7.0581     -0.00000
     62       7.5108     -0.00000
     63       7.6272     -0.00000
     64       7.8471     -0.00000
     65       8.0331     -0.00000
     66       8.6894     -0.00000
     67       8.9118     -0.00000
     68       9.1887     -0.00000
     69       9.5835     -0.00000
     70       9.6058     -0.00000
     71       9.8056     -0.00000
     72      10.0894     -0.00000
     73      11.4912      0.00000
     74      11.8030      0.00000
     75      11.8829      0.00000
     76      12.9982      0.00000
     77      13.3837      0.00000
     78      13.9832      0.00000
     79      14.2278      0.00000
     80      14.5833      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6011      2.00000
      8      -0.3622      2.00000
      9      -0.1203      2.00000
     10       0.1051      2.00000
     11       0.1543      2.00000
     12       0.4195      2.00000
     13       0.5369      2.00000
     14       0.6118      2.00000
     15       0.6940      2.00000
     16       0.7712      2.00000
     17       0.8953      2.00000
     18       0.9380      2.00000
     19       1.0686      2.00000
     20       1.1206      2.00000
     21       1.1844      2.00000
     22       1.2135      2.00000
     23       1.3448      2.00000
     24       1.3941      2.00000
     25       1.4482      2.00000
     26       1.5087      2.00000
     27       1.6588      2.00000
     28       1.7015      2.00000
     29       1.7214      2.00000
     30       1.7402      2.00000
     31       1.8364      2.00000
     32       1.8748      2.00000
     33       1.9362      2.00000
     34       2.0107      2.00000
     35       2.1241      2.00000
     36       2.1642      2.00000
     37       2.2546      2.00000
     38       2.2800      2.00000
     39       2.3497      2.00000
     40       2.3975      2.00000
     41       2.4384      2.00000
     42       2.5291      2.00000
     43       2.5721      2.00000
     44       2.5971      2.00000
     45       2.6444      2.00000
     46       2.6809      2.00000
     47       2.7314      2.00000
     48       2.7946      2.00000
     49       2.8784      2.00000
     50       3.0780      2.00000
     51       3.1283      2.00000
     52       3.1810      2.00000
     53       3.2266      2.00000
     54       3.4914      2.00000
     55       3.6010      2.00000
     56       3.9613      2.00000
     57       4.6273      2.00000
     58       4.7030      2.00000
     59       5.1217      2.00000
     60       5.6500      2.02475
     61       5.7795      2.07083
     62       6.0887      0.46276
     63       6.3856     -0.02720
     64       6.9338     -0.00000
     65       7.6611     -0.00000
     66       8.4573     -0.00000
     67       9.0051     -0.00000
     68       9.3598     -0.00000
     69       9.4784     -0.00000
     70       9.8199     -0.00000
     71      10.6692     -0.00000
     72      11.0250     -0.00000
     73      11.3788     -0.00000
     74      11.7099      0.00000
     75      12.0822      0.00000
     76      12.4197      0.00000
     77      12.7615      0.00000
     78      13.6238      0.00000
     79      13.9658      0.00000
     80      14.1659      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4264      2.00000
      9      -0.1853      2.00000
     10       0.0392      2.00000
     11       0.1394      2.00000
     12       0.5287      2.00000
     13       0.5891      2.00000
     14       0.6795      2.00000
     15       0.7401      2.00000
     16       0.7977      2.00000
     17       0.8775      2.00000
     18       0.9544      2.00000
     19       1.0931      2.00000
     20       1.1105      2.00000
     21       1.2002      2.00000
     22       1.2746      2.00000
     23       1.2966      2.00000
     24       1.3659      2.00000
     25       1.4139      2.00000
     26       1.4670      2.00000
     27       1.5528      2.00000
     28       1.6695      2.00000
     29       1.7438      2.00000
     30       1.7754      2.00000
     31       1.8327      2.00000
     32       1.8493      2.00000
     33       1.9615      2.00000
     34       2.0620      2.00000
     35       2.0952      2.00000
     36       2.1335      2.00000
     37       2.2437      2.00000
     38       2.2802      2.00000
     39       2.2895      2.00000
     40       2.4397      2.00000
     41       2.4771      2.00000
     42       2.4800      2.00000
     43       2.5562      2.00000
     44       2.6265      2.00000
     45       2.6519      2.00000
     46       2.7057      2.00000
     47       2.7942      2.00000
     48       2.8048      2.00000
     49       2.8830      2.00000
     50       3.0932      2.00000
     51       3.1698      2.00000
     52       3.2527      2.00000
     53       3.4853      2.00000
     54       3.5653      2.00000
     55       3.6555      2.00000
     56       4.0643      2.00000
     57       4.5137      2.00000
     58       4.5654      2.00000
     59       4.8308      2.00000
     60       5.1707      2.00000
     61       5.6599      2.02836
     62       6.1404      0.16336
     63       6.4029     -0.02125
     64       7.5691     -0.00000
     65       7.7375     -0.00000
     66       8.0309     -0.00000
     67       8.4214     -0.00000
     68       8.9599     -0.00000
     69       9.6358     -0.00000
     70      10.2622     -0.00000
     71      10.4040     -0.00000
     72      11.2734     -0.00000
     73      11.6944      0.00000
     74      12.2901      0.00000
     75      12.4713      0.00000
     76      12.6300      0.00000
     77      13.3682      0.00000
     78      13.6167      0.00000
     79      14.1774      0.00000
     80      14.3139      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.0469      2.00000
      9      -0.4622      2.00000
     10      -0.0787      2.00000
     11       0.3283      2.00000
     12       0.4435      2.00000
     13       0.5148      2.00000
     14       0.5681      2.00000
     15       0.6450      2.00000
     16       0.7489      2.00000
     17       0.8203      2.00000
     18       0.9217      2.00000
     19       0.9920      2.00000
     20       1.0233      2.00000
     21       1.0976      2.00000
     22       1.1859      2.00000
     23       1.2121      2.00000
     24       1.3152      2.00000
     25       1.3405      2.00000
     26       1.3616      2.00000
     27       1.4406      2.00000
     28       1.5066      2.00000
     29       1.6053      2.00000
     30       1.7688      2.00000
     31       1.8430      2.00000
     32       1.8636      2.00000
     33       1.9314      2.00000
     34       1.9891      2.00000
     35       2.0431      2.00000
     36       2.1228      2.00000
     37       2.1952      2.00000
     38       2.2615      2.00000
     39       2.3315      2.00000
     40       2.4518      2.00000
     41       2.4952      2.00000
     42       2.5109      2.00000
     43       2.6521      2.00000
     44       2.6840      2.00000
     45       2.7645      2.00000
     46       2.8038      2.00000
     47       2.8529      2.00000
     48       2.9292      2.00000
     49       3.0252      2.00000
     50       3.0851      2.00000
     51       3.1516      2.00000
     52       3.2226      2.00000
     53       3.3267      2.00000
     54       3.4894      2.00000
     55       3.6538      2.00000
     56       3.8530      2.00000
     57       4.7600      2.00000
     58       5.2149      2.00000
     59       5.3430      2.00002
     60       5.6018      2.01154
     61       6.3453     -0.04424
     62       6.5440     -0.00137
     63       7.2887     -0.00000
     64       7.3909     -0.00000
     65       7.6686     -0.00000
     66       8.0610     -0.00000
     67       8.8583     -0.00000
     68       9.6551     -0.00000
     69       9.9848     -0.00000
     70      10.5014     -0.00000
     71      10.6854     -0.00000
     72      11.0126     -0.00000
     73      11.3091     -0.00000
     74      12.4696      0.00000
     75      13.0266      0.00000
     76      13.3013      0.00000
     77      13.5975      0.00000
     78      14.1310      0.00000
     79      14.2287      0.00000
     80      14.8651      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6520      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.4860      2.00000
      9      -0.7332      2.00000
     10      -0.3574      2.00000
     11       0.1622      2.00000
     12       0.2197      2.00000
     13       0.4643      2.00000
     14       0.5322      2.00000
     15       0.6092      2.00000
     16       0.6329      2.00000
     17       0.6649      2.00000
     18       0.8240      2.00000
     19       0.8803      2.00000
     20       0.9384      2.00000
     21       0.9786      2.00000
     22       0.9963      2.00000
     23       1.1453      2.00000
     24       1.1822      2.00000
     25       1.2485      2.00000
     26       1.3238      2.00000
     27       1.4374      2.00000
     28       1.5485      2.00000
     29       1.5974      2.00000
     30       1.6178      2.00000
     31       1.6923      2.00000
     32       1.8966      2.00000
     33       1.9662      2.00000
     34       2.0197      2.00000
     35       2.0939      2.00000
     36       2.1965      2.00000
     37       2.2592      2.00000
     38       2.3354      2.00000
     39       2.3558      2.00000
     40       2.4562      2.00000
     41       2.4745      2.00000
     42       2.6343      2.00000
     43       2.6761      2.00000
     44       2.7553      2.00000
     45       2.7801      2.00000
     46       2.8308      2.00000
     47       2.9672      2.00000
     48       2.9887      2.00000
     49       3.1189      2.00000
     50       3.1556      2.00000
     51       3.2001      2.00000
     52       3.3074      2.00000
     53       3.3824      2.00000
     54       3.6157      2.00000
     55       3.7837      2.00000
     56       3.8329      2.00000
     57       4.6207      2.00000
     58       5.1337      2.00000
     59       5.6820      2.03744
     60       6.1391      0.16922
     61       6.4460     -0.01048
     62       6.9221     -0.00000
     63       7.2633     -0.00000
     64       7.9437     -0.00000
     65       8.8997     -0.00000
     66       8.9883     -0.00000
     67       9.2271     -0.00000
     68       9.9837     -0.00000
     69      10.0564     -0.00000
     70      11.7077      0.00000
     71      11.9155      0.00000
     72      12.1233      0.00000
     73      12.2413      0.00000
     74      12.4615      0.00000
     75      12.8985      0.00000
     76      13.2996      0.00000
     77      13.5701      0.00000
     78      13.8162      0.00000
     79      13.9613      0.00000
     80      14.4638      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.167  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.023   0.010   0.030   0.011   0.006  -1.170  -0.014  -0.025  -0.041  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.074  -0.271   0.019  -0.181  -0.014  -1.060   0.225  -0.010   0.144  -0.068   0.012  -0.000   0.171   0.008   0.000
  0.030  -0.271   2.655   0.008  -0.314  -0.025   0.225  -0.698  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.944   0.016  -0.041  -0.010  -0.018  -1.108  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.181  -0.314   0.016   3.080  -0.013   0.144   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.170  -0.014  -0.025  -0.041  -0.013   1.224   0.017   0.021   0.068   0.019  -0.016   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.060   0.225  -0.010   0.144   0.017   0.979  -0.181   0.003  -0.108   0.062  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.698  -0.018   0.231   0.021  -0.181   0.679   0.026  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.041  -0.010  -0.018  -1.108  -0.007   0.068   0.003   0.026   1.168   0.001   0.019  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.144   0.231  -0.007  -1.017   0.019  -0.108  -0.160   0.001   0.909   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.062  -0.092   0.019   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.000  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.290  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.67: real time    1.68
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.58: real time    6.62
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.29203   469.29203   469.29203
  Ewald   -2471.57789 -3173.55624 -2711.25068   -21.87031   -22.83371    12.25323
  Hartree   848.19050   345.80371   677.11978   -14.66839    -2.09662     7.70923
  E(xc)    -540.91681  -541.59296  -541.07151    -0.02587    -0.13438     0.01535
  Local    -594.45932   607.57795  -183.98447    36.08275    23.74668   -19.49050
  n-local  -102.84414   -99.62850  -101.56563     0.30101     0.73065    -0.26446
  augment   723.81202   723.29159   723.35620     0.02430     0.11982    -0.05016
  Kinetic  1668.53977  1668.82671  1668.13609     0.16461     0.49240    -0.16522
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03615     0.01430     0.03182     0.00809     0.02484     0.00746
  in kB       0.22502     0.08900     0.19801     0.05033     0.15462     0.04645
  external pressure =        0.17 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.42
      direct lattice vectors                 reciprocal lattice vectors
     4.098747838 -0.101778547  0.141788963     0.243682740  0.100394412  0.080569687
    -3.909867020  8.754218334  0.917125443     0.002769817  0.115193283  0.002619556
    -2.321481145 -0.106876900  7.154486407    -0.005184410 -0.016756131  0.137839894

  length of vectors
     4.102462287  9.631433841  7.522457918     0.275593524  0.115256351  0.138951367


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.364E+01 -.158E+03 0.252E+02   0.381E+01 0.161E+03 -.255E+02   -.166E+00 -.282E+01 0.299E+00   0.145E-04 0.386E-03 0.367E-03
   0.365E+01 0.158E+03 -.252E+02   -.381E+01 -.161E+03 0.255E+02   0.167E+00 0.282E+01 -.299E+00   -.115E-04 -.384E-03 -.364E-03
   0.321E+01 0.145E+03 0.730E+01   -.330E+01 -.147E+03 -.712E+01   0.915E-01 0.128E+01 -.176E+00   -.766E-04 -.136E-03 -.316E-03
   -.102E+00 -.688E+02 -.420E+02   0.108E+00 0.685E+02 0.429E+02   -.640E-02 0.332E+00 -.850E+00   0.932E-05 -.641E-04 0.762E-03
   0.627E+01 0.975E+02 -.971E+02   -.634E+01 -.988E+02 0.985E+02   0.628E-01 0.126E+01 -.140E+01   -.446E-04 0.357E-04 -.441E-03
   0.192E-02 -.108E-02 -.449E-02   -.186E-02 0.926E-03 0.463E-02   -.614E-04 0.146E-03 -.110E-03   -.811E-05 0.112E-04 0.176E-05
   -.626E+01 -.976E+02 0.971E+02   0.632E+01 0.988E+02 -.985E+02   -.632E-01 -.126E+01 0.140E+01   0.615E-04 -.402E-04 0.459E-03
   -.321E+01 -.145E+03 -.730E+01   0.330E+01 0.147E+03 0.712E+01   -.917E-01 -.128E+01 0.176E+00   0.839E-04 0.154E-03 0.304E-03
   0.793E-01 0.688E+02 0.420E+02   -.857E-01 -.685E+02 -.428E+02   0.727E-02 -.332E+00 0.850E+00   -.188E-04 0.440E-04 -.773E-03
   0.764E-02 0.219E-03 -.236E-03   -.743E-02 -.276E-03 0.145E-03   -.237E-03 0.173E-03 0.150E-04   -.819E-06 -.169E-05 0.462E-06
   0.952E+00 0.960E+01 -.281E+02   -.957E+00 -.941E+01 0.280E+02   0.458E-02 -.189E+00 0.989E-01   -.195E-05 -.528E-04 -.422E-04
   -.961E+00 -.960E+01 0.281E+02   0.966E+00 0.941E+01 -.280E+02   -.450E-02 0.189E+00 -.989E-01   0.101E-05 0.559E-04 0.409E-04
   0.760E+00 -.920E+01 -.205E+02   -.716E+00 0.924E+01 0.202E+02   -.437E-01 -.393E-01 0.271E+00   -.901E-05 -.774E-05 -.557E-05
   -.169E+01 -.621E+02 0.444E+01   0.169E+01 0.620E+02 -.470E+01   0.494E-02 0.673E-01 0.248E+00   -.354E-05 0.514E-04 -.140E-03
   -.756E+00 0.920E+01 0.205E+02   0.712E+00 -.924E+01 -.202E+02   0.434E-01 0.397E-01 -.270E+00   0.969E-05 0.982E-05 0.503E-05
   0.169E+01 0.621E+02 -.444E+01   -.169E+01 -.620E+02 0.469E+01   -.491E-02 -.671E-01 -.248E+00   0.161E-05 -.545E-04 0.141E-03
 -----------------------------------------------------------------------------------------------
   -.233E-03 0.495E-04 -.652E-04   0.266E-13 0.171E-12 0.123E-12   0.256E-03 0.883E-03 0.677E-04   0.662E-05 0.672E-05 -.102E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07049      6.35816      7.88648        -0.000888      0.000208      0.000819
     -2.91086      8.15250      4.53472         0.000967     -0.000355     -0.000923
     -1.04392      1.16141      4.62390        -0.000864     -0.000653      0.003074
     -2.90165      5.24028      2.40348        -0.000487      0.000876     -0.007481
      1.19222      1.83209      0.31079         0.000030      0.000038      0.005120
     -3.08511      2.92908      5.68116        -0.000013     -0.000053      0.000028
     -0.94222      4.03119      4.03878        -0.000288     -0.000092     -0.005267
     -1.02757      4.59507      6.88009         0.000877      0.000317     -0.002918
      3.15152      0.62300      1.94606         0.000844     -0.000892      0.007505
     -5.03992      7.30622      6.13969        -0.000028      0.000056     -0.000076
     -0.84860      3.63559      1.26086        -0.000598     -0.001693     -0.001800
      1.09840      2.22778      3.08869         0.000546      0.001918      0.001830
     -0.85042      6.70150      3.45537         0.000135      0.003003     -0.003781
     -2.99613      5.53050      5.14288        -0.000667     -0.000546     -0.005311
     -2.80947      7.91604      1.81132        -0.000286     -0.002649      0.003867
      0.92465      0.22588      6.36115         0.000721      0.000518      0.005313
 -----------------------------------------------------------------------------------
    total drift:                                0.000030      0.000939      0.000002


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87773734 eV

  energy  without entropy=      -49.88264233  energy(sigma->0) =      -49.87937233
 
 d Force = 0.4122736E-04[ 0.358E-04, 0.466E-04]  d Energy = 0.4676504E-04-0.554E-05
 d Force =-0.1911139E+00[-0.192E+00,-0.191E+00]  d Ewald  =-0.4406676E+00 0.250E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000047  1 .order   -0.000049   -0.000055   -0.000042
  (g-gl).g = 0.434E-04      g.g   = 0.429E-04  gl.gl    = 0.796E-04
 g(Force)  = 0.222E-04   g(Stress)= 0.207E-04 ortho     = 0.211E-06
 gamma     =   0.54474
 trial     =   1.29012
 opt step  =   5.16049  (harmonic =   5.40034) maximal distance =0.00479548
 next E    =   -49.877807   (d E  =  -0.00012)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  124.71: real time  125.44


----------------------------------------- Iteration   15(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.56: real time   15.65
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.31: real time   17.41

 eigenvalue-minimisa     EDDAV:  cpu time   17.71: real time   17.76
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.46: real time   19.52

 eigenvalue-minimisations  :  7984
 total energy-change (2. order) :-0.3585883E-06  (-0.6607145E-07)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0485580 magnetization 

 Broyden mixing:
  rms(total) = 0.13114E-03    rms(broyden)= 0.13110E-03
  rms(prec ) = 0.15401E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4526
  2.4286  2.1109  1.4358  0.9751  0.9751  0.7900

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.81107477
  Ewald energy   TEWEN  =     -8364.50104091
  -1/2 Hartree   DENC   =     -1864.69189529
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48957605
  PAW double counting   =      9486.67898622    -9414.62421625
  entropy T*S    EENTRO =         0.00525752
  eigenvalues    EBANDS =      -337.25402523
  atomic energy  EATOM  =      9754.20957531
  --------------------------------------------     EDDAV:  cpu time   18.01: real time   18.13
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.75: real time   19.89

 eigenvalue-minimisations  :  8208
 total energy-change (2. order) :-0.2281173E-03  (-0.4600837E-03)
 number of electron     120.0000044 magnetization 
 augment     EDDAV:  cpu time   13.61: real time   13.65
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.64: real time   13.68

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) : 0.7230665E-07  (-0.5941937E-08)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0485580 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.81107477
  Ewald energy   TEWEN  =     -8364.50104091
  -1/2 Hartree   DENC   =     -1864.69125484
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48957558
  PAW double counting   =      9486.74160360    -9414.68675822
  entropy T*S    EENTRO =         0.00525789
  eigenvalues    EBANDS =      -337.25474092
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87670775 eV

  energy without entropy =      -49.88196564  energy(sigma->0) =      -49.87846038
----------------------------------- Iteration   15(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   20.36: real time   20.48
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.09: real time   22.22

 eigenvalue-minimisations  :  9632
 total energy-change (2. order) : 0.3006264E-04  (-0.2036388E-04)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0532881 magnetization 

 Broyden mixing:
  rms(total) = 0.29243E-02    rms(broyden)= 0.29241E-02
  rms(prec ) = 0.36175E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4307
  0.9517  1.9097

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.96761725
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45736792
  PAW double counting   =      9487.51338349    -9415.47346470
  entropy T*S    EENTRO =         0.00494777
  eigenvalues    EBANDS =      -338.72905379
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87782007 eV

  energy without entropy =      -49.88276784  energy(sigma->0) =      -49.87946933
   1.1078      2.00000
     24       1.1969      2.00000
     25       1.2249      2.00000
     26       1.2932      2.00000
     27       1.3247      2.00000
     28       1.5896      2.00000
     29       1.6637      2.00000
     30       1.7222      2.00000
     31       1.7525      2.00000
     32       1.7986      2.00000
     33       1.9326      2.00000
     34       1.9478      2.00000
     35       2.1620      2.00000
     36       2.1818      2.00000
     37       2.2797      2.00000
     38       2.3189      2.00000
     39       2.4542      2.00000
     40       2.5439      2.00000
     41       2.5948      2.00000
     42       2.6467      2.00000
     43       2.7290      2.00000
     44       2.8771      2.00000
     45       2.8948      2.00000
     46       2.9167      2.00000
     47       3.0051      2.00000
     48       3.0480      2.00000
     49       3.1200      2.00000
     50       3.1487      2.00000
     51       3.3401      2.00000
     52       3.3854      2.00000
     53       3.5064      2.00000
     54       3.5957      2.00000
     55       3.9015      2.00000
     56       4.0771      2.00000
     57       4.2314      2.00000
     58       4.2562      2.00000
     59       4.9462      2.00000
     60       5.6409      2.01984
     61       6.2741     -0.07088
     62       8.2810     -0.00000
     63       8.3104     -0.00000
     64       8.3535     -0.00000
     65       8.9874     -0.00000
     66       9.6573     -0.00000
     67      10.3779     -0.00000
     68      10.7571     -0.00000
     69      11.4775     -0.00000
     70      11.7857      0.00000
     71      11.8287      0.00000
     72      12.1030      0.00000
     73      12.2675      0.00000
     74      12.3775      0.00000
     75      12.5070      0.00000
     76      12.7808      0.00000
     77      13.3009      0.00000
     78      13.6640      0.00000
     79      13.7972      0.00000
     80      14.6597      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6387      2.00000
      5     -39.6384      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.6600      2.00000
      9      -0.5568      2.00000
     10      -0.2615      2.00000
     11       0.2709      2.00000
     12       0.2931      2.00000
     13       0.3995      2.00000
     14       0.4765      2.00000
     15       0.6113      2.00000
     16       0.6259      2.00000
     17       0.7469      2.00000
     18       0.8338      2.00000
     19       0.9236      2.00000
     20       0.9510      2.00000
     21       0.9837      2.00000
     22       1.1124      2.00000
     23       1.1272      2.00000
     24       1.2070      2.00000
     25       1.2541      2.00000
     26       1.3648      2.00000
     27       1.3926      2.00000
     28       1.5041      2.00000
     29       1.6383      2.00000
     30       1.6738      2.00000
     31       1.7641      2.00000
     32       1.8305      2.00000
     33       1.8616      2.00000
     34       2.0194      2.00000
     35       2.0387      2.00000
     36       2.1776      2.00000
     37       2.2662      2.00000
     38       2.3730      2.00000
     39       2.4667      2.00000
     40       2.5088      2.00000
     41       2.5718      2.00000
     42       2.6152      2.00000
     43       2.6954      2.00000
     44       2.7427      2.00000
     45       2.8162      2.00000
     46       2.8280      2.00000
     47       2.9304      2.00000
     48       3.0669      2.00000
     49       3.1278      2.00000
     50       3.2048      2.00000
     51       3.2468      2.00000
     52       3.2884      2.00000
     53       3.4293      2.00000
     54       3.6244      2.00000
     55       3.7176      2.00000
     56       3.8590      2.00000
     57       4.1110      2.00000
     58       4.5866      2.00000
     59       5.5059      2.00142
     60       6.2705     -0.07089
     61       6.8032     -0.00000
     62       7.1297     -0.00000
     63       7.7384     -0.00000
     64       8.2457     -0.00000
     65       8.5845     -0.00000
     66       8.7280     -0.00000
     67       9.6784     -0.00000
     68      10.2895     -0.00000
     69      10.6243     -0.00000
     70      10.6879     -0.00000
     71      11.1527     -0.00000
     72      11.7393      0.00000
     73      12.5562      0.00000
     74      12.9278      0.00000
     75      13.2419      0.00000
     76      13.3199      0.00000
     77      13.4888      0.00000
     78      13.8777      0.00000
     79      14.4682      0.00000
     80      14.7050      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0193      2.00000
      9      -0.4014      2.00000
     10      -0.1129      2.00000
     11       0.3330      2.00000
     12       0.4312      2.00000
     13       0.5097      2.00000
     14       0.5992      2.00000
     15       0.6615      2.00000
     16       0.7446      2.00000
     17       0.8513      2.00000
     18       0.9241      2.00000
     19       1.0055      2.00000
     20       1.0524      2.00000
     21       1.0877      2.00000
     22       1.1868      2.00000
     23       1.2402      2.00000
     24       1.2932      2.00000
     25       1.3219      2.00000
     26       1.3720      2.00000
     27       1.4681      2.00000
     28       1.5653      2.00000
     29       1.6184      2.00000
     30       1.7372      2.00000
     31       1.8225      2.00000
     32       1.8677      2.00000
     33       1.9662      2.00000
     34       2.0211      2.00000
     35       2.1203      2.00000
     36       2.1320      2.00000
     37       2.1954      2.00000
     38       2.2615      2.00000
     39       2.3183      2.00000
     40       2.4168      2.00000
     41       2.4944      2.00000
     42       2.5449      2.00000
     43       2.6625      2.00000
     44       2.6969      2.00000
     45       2.7531      2.00000
     46       2.8071      2.00000
     47       2.8526      2.00000
     48       2.9348      2.00000
     49       3.0262      2.00000
     50       3.1092      2.00000
     51       3.1555      2.00000
     52       3.2536      2.00000
     53       3.3716      2.00000
     54       3.4663      2.00000
     55       3.5884      2.00000
     56       3.8359      2.00000
     57       4.6294      2.00000
     58       5.0067      2.00000
     59       5.4524      2.00037
     60       5.7930      2.06996
     61       6.4796     -0.00627
     62       6.8384     -0.00000
     63       7.0000     -0.00000
     64       7.5299     -0.00000
     65       8.0242     -0.00000
     66       8.3604     -0.00000
     67       8.7299     -0.00000
     68       9.4461     -0.00000
     69       9.8367     -0.00000
     70      10.3541     -0.00000
     71      10.5013     -0.00000
     72      10.7931     -0.00000
     73      11.4333     -0.00000
     74      12.2316      0.00000
     75      13.1452      0.00000
     76      13.6719      0.00000
     77      13.7561      0.00000
     78      13.8911      0.00000
     79      14.3258      0.00000
     80      14.7223      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3781      2.00000
      9      -0.0952      2.00000
     10       0.0976      2.00000
     11       0.1772      2.00000
     12       0.4945      2.00000
     13       0.5177      2.00000
     14       0.5732      2.00000
     15       0.6438      2.00000
     16       0.8422      2.00000
     17       0.9289      2.00000
     18       0.9448      2.00000
     19       1.1208      2.00000
     20       1.1745      2.00000
     21       1.2008      2.00000
     22       1.2769      2.00000
     23       1.3845      2.00000
     24       1.4050      2.00000
     25       1.4194      2.00000
     26       1.4894      2.00000
     27       1.5254      2.00000
     28       1.6591      2.00000
     29       1.6946      2.00000
     30       1.7458      2.00000
     31       1.8124      2.00000
     32       1.9218      2.00000
     33       1.9599      2.00000
     34       2.0722      2.00000
     35       2.1548      2.00000
     36       2.1736      2.00000
     37       2.1955      2.00000
     38       2.2861      2.00000
     39       2.3266      2.00000
     40       2.3760      2.00000
     41       2.4732      2.00000
     42       2.4878      2.00000
     43       2.5570      2.00000
     44       2.6469      2.00000
     45       2.6870      2.00000
     46       2.7658      2.00000
     47       2.8137      2.00000
     48       2.8549      2.00000
     49       2.9323      2.00000
     50       3.0741      2.00000
     51       3.1768      2.00000
     52       3.2794      2.00000
     53       3.3757      2.00000
     54       3.5664      2.00000
     55       3.6520      2.00000
     56       3.8310      2.00000
     57       4.1566      2.00000
     58       4.2966      2.00000
     59       5.1456      2.00000
     60       5.8745      1.96016
     61       6.0750      0.60765
     62       6.1653      0.08694
     63       6.8355     -0.00000
     64       7.0792     -0.00000
     65       7.6976     -0.00000
     66       8.2316     -0.00000
     67       8.5012     -0.00000
     68       8.8484     -0.00000
     69       9.5047     -0.00000
     70       9.8087     -0.00000
     71      10.5471     -0.00000
     72      10.9578     -0.00000
     73      11.1910     -0.00000
     74      11.7900      0.00000
     75      12.3052      0.00000
     76      12.7636      0.00000
     77      13.4613      0.00000
     78      13.8101      0.00000
     79      13.9796      0.00000
     80      14.6633      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5792      2.00000
      7     -39.5760      2.00000
      8      -0.4330      2.00000
      9      -0.1645      2.00000
     10       0.0474      2.00000
     11       0.1489      2.00000
     12       0.5136      2.00000
     13       0.5376      2.00000
     14       0.7113      2.00000
     15       0.7515      2.00000
     16       0.8849      2.00000
     17       0.9231      2.00000
     18       1.0024      2.00000
     19       1.0817      2.00000
     20       1.0998      2.00000
     21       1.2552      2.00000
     22       1.2878      2.00000
     23       1.3398      2.00000
     24       1.3974      2.00000
     25       1.4068      2.00000
     26       1.4600      2.00000
     27       1.5021      2.00000
     28       1.6788      2.00000
     29       1.7156      2.00000
     30       1.7580      2.00000
     31       1.8125      2.00000
     32       1.8894      2.00000
     33       1.9148      2.00000
     34       2.0491      2.00000
     35       2.0884      2.00000
     36       2.1545      2.00000
     37       2.1723      2.00000
     38       2.2393      2.00000
     39       2.3457      2.00000
     40       2.4529      2.00000
     41       2.4743      2.00000
     42       2.5506      2.00000
     43       2.5918      2.00000
     44       2.6338      2.00000
     45       2.6907      2.00000
     46       2.7442      2.00000
     47       2.8207      2.00000
     48       2.8598      2.00000
     49       2.9191      2.00000
     50       3.1119      2.00000
     51       3.1936      2.00000
     52       3.2184      2.00000
     53       3.5261      2.00000
     54       3.5611      2.00000
     55       3.7549      2.00000
     56       4.2089      2.00000
     57       4.4007      2.00000
     58       4.5807      2.00000
     59       4.7315      2.00000
     60       5.1848      2.00000
     61       5.6063      2.01125
     62       6.0948      0.46196
     63       6.1276      0.25745
     64       7.1038     -0.00000
     65       8.2838     -0.00000
     66       8.4346     -0.00000
     67       8.9388     -0.00000
     68       9.1964     -0.00000
     69       9.3018     -0.00000
     70       9.9630     -0.00000
     71      10.4750     -0.00000
     72      10.6040     -0.00000
     73      11.3549     -0.00000
     74      11.9042      0.00000
     75      12.5740      0.00000
     76      13.2029      0.00000
     77      13.5675      0.00000
     78      13.9079      0.00000
     79      14.1552      0.00000
     80      14.4480      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5821      2.00000
      7     -39.5730      2.00000
      8      -1.1511      2.00000
      9      -0.4640      2.00000
     10       0.0352      2.00000
     11       0.1590      2.00000
     12       0.5288      2.00000
     13       0.6041      2.00000
     14       0.6590      2.00000
     15       0.6977      2.00000
     16       0.8320      2.00000
     17       0.8450      2.00000
     18       0.8812      2.00000
     19       0.9732      2.00000
     20       1.1002      2.00000
     21       1.1427      2.00000
     22       1.1959      2.00000
     23       1.2209      2.00000
     24       1.3146      2.00000
     25       1.3551      2.00000
     26       1.4061      2.00000
     27       1.4571      2.00000
     28       1.4891      2.00000
     29       1.6464      2.00000
     30       1.7492      2.00000
     31       1.7722      2.00000
     32       1.8488      2.00000
     33       1.9134      2.00000
     34       1.9704      2.00000
     35       2.0650      2.00000
     36       2.1693      2.00000
     37       2.2275      2.00000
     38       2.3062      2.00000
     39       2.3674      2.00000
     40       2.4503      2.00000
     41       2.5266      2.00000
     42       2.5673      2.00000
     43       2.6132      2.00000
     44       2.6706      2.00000
     45       2.7834      2.00000
     46       2.8008      2.00000
     47       2.8849      2.00000
     48       2.8962      2.00000
     49       3.0547      2.00000
     50       3.1010      2.00000
     51       3.1449      2.00000
     52       3.2293      2.00000
     53       3.3348      2.00000
     54       3.5415      2.00000
     55       3.7108      2.00000
     56       4.1082      2.00000
     57       4.4562      2.00000
     58       4.8617      2.00000
     59       5.4951      2.00110
     60       5.6975      2.04171
     61       6.0875      0.51440
     62       6.3807     -0.03139
     63       6.9904     -0.00000
     64       7.2071     -0.00000
     65       7.5887     -0.00000
     66       8.2082     -0.00000
     67       9.0539     -0.00000
     68       9.3000     -0.00000
     69      10.2572     -0.00000
     70      11.0438     -0.00000
     71      11.3475     -0.00000
     72      11.7147      0.00000
     73      12.1266      0.00000
     74      12.3732      0.00000
     75      12.7777      0.00000
     76      13.4151      0.00000
     77      13.6279      0.00000
     78      13.9187      0.00000
     79      14.2933      0.00000
     80      14.4279      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6387      2.00000
      5     -39.6384      2.00000
      6     -39.5841      2.00000
      7     -39.5709      2.00000
      8      -1.7449      2.00000
      9      -0.6150      2.00000
     10       0.0531      2.00000
     11       0.1861      2.00000
     12       0.3426      2.00000
     13       0.3466      2.00000
     14       0.4215      2.00000
     15       0.6367      2.00000
     16       0.6545      2.00000
     17       0.7473      2.00000
     18       0.8265      2.00000
     19       0.8999      2.00000
     20       0.9204      2.00000
     21       1.0695      2.00000
     22       1.0808      2.00000
     23       1.1582      2.00000
     24       1.2284      2.00000
     25       1.2888      2.00000
     26       1.3096      2.00000
     27       1.3429      2.00000
     28       1.4777      2.00000
     29       1.6742      2.00000
     30       1.6924      2.00000
     31       1.7800      2.00000
     32       1.8437      2.00000
     33       1.9052      2.00000
     34       1.9306      2.00000
     35       2.0923      2.00000
     36       2.1691      2.00000
     37       2.2845      2.00000
     38       2.3351      2.00000
     39       2.3917      2.00000
     40       2.4968      2.00000
     41       2.5326      2.00000
     42       2.6228      2.00000
     43       2.7481      2.00000
     44       2.8063      2.00000
     45       2.8355      2.00000
     46       2.8799      2.00000
     47       2.9410      2.00000
     48       3.0367      2.00000
     49       3.1070      2.00000
     50       3.1413      2.00000
     51       3.2147      2.00000
     52       3.2736      2.00000
     53       3.4462      2.00000
     54       3.6858      2.00000
     55       3.8036      2.00000
     56       3.9533      2.00000
     57       4.1271      2.00000
     58       4.8595      2.00000
     59       5.0725      2.00000
     60       5.5823      2.00726
     61       6.7067     -0.00002
     62       7.2002     -0.00000
     63       7.7371     -0.00000
     64       8.2324     -0.00000
     65       8.7854     -0.00000
     66       8.9939     -0.00000
     67       9.4073     -0.00000
     68      10.2133     -0.00000
     69      10.7865     -0.00000
     70      10.8322     -0.00000
     71      11.4310     -0.00000
     72      12.4929      0.00000
     73      12.8874      0.00000
     74      13.1170      0.00000
     75      13.2886      0.00000
     76      13.4390      0.00000
     77      13.8108      0.00000
     78      13.8931      0.00000
     79      14.2979      0.00000
     80      14.4187      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9035      2.00000
      2     -39.8965      2.00000
      3     -39.7883      2.00000
      4     -39.6389      2.00000
      5     -39.6384      2.00000
      6     -39.5849      2.00000
      7     -39.5702      2.00000
      8      -1.8495      2.00000
      9      -0.8838      2.00000
     10      -0.0202      2.00000
     11       0.1718      2.00000
     12       0.2201      2.00000
     13       0.3114      2.00000
     14       0.4367      2.00000
     15       0.5939      2.00000
     16       0.6244      2.00000
     17       0.6376      2.00000
     18       0.7019      2.00000
     19       0.7868      2.00000
     20       0.8528      2.00000
     21       0.9472      2.00000
     22       1.0470      2.00000
     23       1.0887      2.00000
     24       1.2615      2.00000
     25       1.3056      2.00000
     26       1.4088      2.00000
     27       1.4342      2.00000
     28       1.6017      2.00000
     29       1.6191      2.00000
     30       1.6569      2.00000
     31       1.7143      2.00000
     32       1.8108      2.00000
     33       1.8910      2.00000
     34       1.9518      2.00000
     35       2.1682      2.00000
     36       2.2319      2.00000
     37       2.2349      2.00000
     38       2.2986      2.00000
     39       2.4468      2.00000
     40       2.5104      2.00000
     41       2.6349      2.00000
     42       2.6722      2.00000
     43       2.6823      2.00000
     44       2.8171      2.00000
     45       2.8478      2.00000
     46       2.8922      2.00000
     47       2.9227      2.00000
     48       3.0668      2.00000
     49       3.1192      2.00000
     50       3.1619      2.00000
     51       3.3306      2.00000
     52       3.3756      2.00000
     53       3.4622      2.00000
     54       3.6431      2.00000
     55       3.9683      2.00000
     56       4.2300      2.00000
     57       4.2374      2.00000
     58       4.3671      2.00000
     59       4.8795      2.00000
     60       6.3134     -0.06114
     61       6.4919     -0.00491
     62       6.9696     -0.00000
     63       7.2794     -0.00000
     64       8.8016     -0.00000
     65       9.5628     -0.00000
     66       9.7037     -0.00000
     67       9.8955     -0.00000
     68      11.0166     -0.00000
     69      11.1783     -0.00000
     70      11.2617     -0.00000
     71      11.4984      0.00000
     72      12.3136      0.00000
     73      12.7034      0.00000
     74      13.1417      0.00000
     75      13.4069      0.00000
     76      13.5621      0.00000
     77      13.8318      0.00000
     78      14.0260      0.00000
     79      14.2975      0.00000
     80      14.5340      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.5689      2.00000
      9      -0.8049      2.00000
     10      -0.1343      2.00000
     11       0.2323      2.00000
     12       0.2751      2.00000
     13       0.4382      2.00000
     14       0.5141      2.00000
     15       0.5842      2.00000
     16       0.6336      2.00000
     17       0.7025      2.00000
     18       0.7965      2.00000
     19       0.9003      2.00000
     20       0.9715      2.00000
     21       0.9940      2.00000
     22       1.0656      2.00000
     23       1.1641      2.00000
     24       1.2243      2.00000
     25       1.3054      2.00000
     26       1.3839      2.00000
     27       1.4077      2.00000
     28       1.5394      2.00000
     29       1.5743      2.00000
     30       1.6294      2.00000
     31       1.6827      2.00000
     32       1.8972      2.00000
     33       1.9741      2.00000
     34       2.0299      2.00000
     35       2.1648      2.00000
     36       2.1980      2.00000
     37       2.2749      2.00000
     38       2.3212      2.00000
     39       2.3700      2.00000
     40       2.3959      2.00000
     41       2.4526      2.00000
     42       2.6595      2.00000
     43       2.6786      2.00000
     44       2.7825      2.00000
     45       2.7979      2.00000
     46       2.8510      2.00000
     47       2.9924      2.00000
     48       3.0207      2.00000
     49       3.1241      2.00000
     50       3.1841      2.00000
     51       3.2035      2.00000
     52       3.3132      2.00000
     53       3.4662      2.00000
     54       3.6526      2.00000
     55       3.7104      2.00000
     56       3.8974      2.00000
     57       4.4521      2.00000
     58       4.9294      2.00000
     59       5.5375      2.00291
     60       5.8738      1.96206
     61       6.5560     -0.00119
     62       7.0404     -0.00000
     63       7.5278     -0.00000
     64       8.0741     -0.00000
     65       8.3643     -0.00000
     66       8.9263     -0.00000
     67       9.3922     -0.00000
     68       9.6508     -0.00000
     69      10.4723     -0.00000
     70      11.9990      0.00000
     71      12.3303      0.00000
     72      12.4095      0.00000
     73      12.6013      0.00000
     74      12.7313      0.00000
     75      12.8958      0.00000
     76      13.3318      0.00000
     77      13.6165      0.00000
     78      13.9536      0.00000
     79      14.0022      0.00000
     80      14.4387      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0151      2.00000
      9      -0.3726      2.00000
     10      -0.1230      2.00000
     11       0.3317      2.00000
     12       0.4046      2.00000
     13       0.5071      2.00000
     14       0.5439      2.00000
     15       0.6853      2.00000
     16       0.7911      2.00000
     17       0.8252      2.00000
     18       0.9419      2.00000
     19       0.9520      2.00000
     20       1.0338      2.00000
     21       1.0836      2.00000
     22       1.1742      2.00000
     23       1.2251      2.00000
     24       1.3178      2.00000
     25       1.3680      2.00000
     26       1.4241      2.00000
     27       1.4903      2.00000
     28       1.5606      2.00000
     29       1.6229      2.00000
     30       1.7613      2.00000
     31       1.8358      2.00000
     32       1.8941      2.00000
     33       1.9351      2.00000
     34       1.9945      2.00000
     35       2.0441      2.00000
     36       2.0905      2.00000
     37       2.1433      2.00000
     38       2.2200      2.00000
     39       2.3194      2.00000
     40       2.4705      2.00000
     41       2.5071      2.00000
     42       2.5724      2.00000
     43       2.6266      2.00000
     44       2.6938      2.00000
     45       2.8032      2.00000
     46       2.8298      2.00000
     47       2.8829      2.00000
     48       2.9355      2.00000
     49       2.9862      2.00000
     50       3.0931      2.00000
     51       3.1802      2.00000
     52       3.2573      2.00000
     53       3.2910      2.00000
     54       3.4802      2.00000
     55       3.6166      2.00000
     56       4.0073      2.00000
     57       4.4865      2.00000
     58       5.2666      2.00000
     59       5.6921      2.03927
     60       5.9188      1.78426
     61       6.2983     -0.06653
     62       6.5485     -0.00142
     63       6.7192     -0.00001
     64       7.4436     -0.00000
     65       7.6824     -0.00000
     66       8.1099     -0.00000
     67       9.1374     -0.00000
     68       9.8127     -0.00000
     69       9.9639     -0.00000
     70      10.1698     -0.00000
     71      11.1008     -0.00000
     72      11.2082     -0.00000
     73      11.8209      0.00000
     74      12.0822      0.00000
     75      12.4199      0.00000
     76      12.8229      0.00000
     77      13.3279      0.00000
     78      13.6919      0.00000
     79      14.1024      0.00000
     80      14.4814      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3795      2.00000
      9      -0.0697      2.00000
     10       0.0758      2.00000
     11       0.1569      2.00000
     12       0.4220      2.00000
     13       0.5282      2.00000
     14       0.6170      2.00000
     15       0.7260      2.00000
     16       0.8629      2.00000
     17       0.9141      2.00000
     18       0.9250      2.00000
     19       1.1066      2.00000
     20       1.1610      2.00000
     21       1.1973      2.00000
     22       1.2541      2.00000
     23       1.3240      2.00000
     24       1.4064      2.00000
     25       1.4737      2.00000
     26       1.5010      2.00000
     27       1.6068      2.00000
     28       1.6816      2.00000
     29       1.7215      2.00000
     30       1.7417      2.00000
     31       1.8479      2.00000
     32       1.8892      2.00000
     33       1.9705      2.00000
     34       1.9872      2.00000
     35       2.0789      2.00000
     36       2.1273      2.00000
     37       2.2392      2.00000
     38       2.3101      2.00000
     39       2.3557      2.00000
     40       2.3945      2.00000
     41       2.4646      2.00000
     42       2.5182      2.00000
     43       2.5337      2.00000
     44       2.6345      2.00000
     45       2.7020      2.00000
     46       2.7415      2.00000
     47       2.8025      2.00000
     48       2.8534      2.00000
     49       2.8789      2.00000
     50       3.0803      2.00000
     51       3.1516      2.00000
     52       3.2800      2.00000
     53       3.3367      2.00000
     54       3.4889      2.00000
     55       3.5975      2.00000
     56       3.7427      2.00000
     57       4.4218      2.00000
     58       4.7745      2.00000
     59       5.1388      2.00000
     60       5.6740      2.03155
     61       5.9375      1.68094
     62       6.2192     -0.04096
     63       6.5443     -0.00157
     64       6.7541     -0.00000
     65       7.7474     -0.00000
     66       8.0648     -0.00000
     67       8.5408     -0.00000
     68       9.3004     -0.00000
     69       9.7345     -0.00000
     70      10.2125     -0.00000
     71      10.8432     -0.00000
     72      10.9958     -0.00000
     73      11.4079     -0.00000
     74      11.6514      0.00000
     75      12.1797      0.00000
     76      12.5145      0.00000
     77      13.1523      0.00000
     78      13.4232      0.00000
     79      14.0135      0.00000
     80      14.3369      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5760      2.00000
      8      -0.4308      2.00000
      9      -0.1370      2.00000
     10      -0.0309      2.00000
     11       0.1457      2.00000
     12       0.5592      2.00000
     13       0.6778      2.00000
     14       0.7094      2.00000
     15       0.7391      2.00000
     16       0.8061      2.00000
     17       0.8931      2.00000
     18       0.9632      2.00000
     19       1.0981      2.00000
     20       1.1174      2.00000
     21       1.1502      2.00000
     22       1.2715      2.00000
     23       1.3477      2.00000
     24       1.3766      2.00000
     25       1.3996      2.00000
     26       1.5522      2.00000
     27       1.5927      2.00000
     28       1.6792      2.00000
     29       1.7242      2.00000
     30       1.7747      2.00000
     31       1.8228      2.00000
     32       1.8666      2.00000
     33       1.9701      2.00000
     34       2.0033      2.00000
     35       2.1030      2.00000
     36       2.1716      2.00000
     37       2.2461      2.00000
     38       2.3306      2.00000
     39       2.3472      2.00000
     40       2.4607      2.00000
     41       2.4763      2.00000
     42       2.5021      2.00000
     43       2.5334      2.00000
     44       2.5767      2.00000
     45       2.5884      2.00000
     46       2.7339      2.00000
     47       2.7686      2.00000
     48       2.8220      2.00000
     49       2.8903      2.00000
     50       3.1373      2.00000
     51       3.1728      2.00000
     52       3.2997      2.00000
     53       3.5152      2.00000
     54       3.5809      2.00000
     55       3.6555      2.00000
     56       4.0695      2.00000
     57       4.4176      2.00000
     58       4.5158      2.00000
     59       5.0220      2.00000
     60       5.1563      2.00000
     61       5.8307      2.04641
     62       6.1474      0.15896
     63       6.5156     -0.00299
     64       7.1810     -0.00000
     65       7.2774     -0.00000
     66       7.7540     -0.00000
     67       8.3191     -0.00000
     68       9.5912     -0.00000
     69       9.9979     -0.00000
     70      10.5999     -0.00000
     71      11.0613     -0.00000
     72      11.3039     -0.00000
     73      11.8146      0.00000
     74      12.0478      0.00000
     75      12.2575      0.00000
     76      12.8969      0.00000
     77      13.1923      0.00000
     78      13.3298      0.00000
     79      14.1714      0.00000
     80      14.3075      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.1974      2.00000
      9      -0.3281      2.00000
     10      -0.0643      2.00000
     11       0.1134      2.00000
     12       0.5607      2.00000
     13       0.5872      2.00000
     14       0.6478      2.00000
     15       0.7233      2.00000
     16       0.8552      2.00000
     17       0.8900      2.00000
     18       0.9534      2.00000
     19       1.0200      2.00000
     20       1.0874      2.00000
     21       1.1232      2.00000
     22       1.1877      2.00000
     23       1.2533      2.00000
     24       1.2769      2.00000
     25       1.3326      2.00000
     26       1.3939      2.00000
     27       1.4048      2.00000
     28       1.5615      2.00000
     29       1.6836      2.00000
     30       1.7131      2.00000
     31       1.8223      2.00000
     32       1.8981      2.00000
     33       1.9375      2.00000
     34       2.0092      2.00000
     35       2.0248      2.00000
     36       2.0608      2.00000
     37       2.1678      2.00000
     38       2.2149      2.00000
     39       2.4041      2.00000
     40       2.4477      2.00000
     41       2.5023      2.00000
     42       2.5539      2.00000
     43       2.6227      2.00000
     44       2.6752      2.00000
     45       2.7724      2.00000
     46       2.8601      2.00000
     47       2.8927      2.00000
     48       2.9396      2.00000
     49       3.0335      2.00000
     50       3.0647      2.00000
     51       3.1128      2.00000
     52       3.1949      2.00000
     53       3.2939      2.00000
     54       3.5360      2.00000
     55       3.6609      2.00000
     56       4.0061      2.00000
     57       4.3398      2.00000
     58       5.3318      2.00001
     59       5.4973      2.00116
     60       5.6736      2.03139
     61       5.8418      2.03150
     62       6.6489     -0.00010
     63       6.9524     -0.00000
     64       7.4504     -0.00000
     65       7.8397     -0.00000
     66       7.9126     -0.00000
     67       8.4743     -0.00000
     68       9.7821     -0.00000
     69      10.0169     -0.00000
     70      10.4643     -0.00000
     71      11.7388      0.00000
     72      12.2612      0.00000
     73      12.5665      0.00000
     74      12.8980      0.00000
     75      13.1083      0.00000
     76      13.4108      0.00000
     77      13.4649      0.00000
     78      13.5755      0.00000
     79      13.8787      0.00000
     80      14.1613      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5841      2.00000
      7     -39.5709      2.00000
      8      -1.7309      2.00000
      9      -0.6549      2.00000
     10       0.0247      2.00000
     11       0.2410      2.00000
     12       0.3326      2.00000
     13       0.3512      2.00000
     14       0.4195      2.00000
     15       0.6394      2.00000
     16       0.6494      2.00000
     17       0.7318      2.00000
     18       0.8239      2.00000
     19       0.8879      2.00000
     20       0.9716      2.00000
     21       1.0309      2.00000
     22       1.0959      2.00000
     23       1.1624      2.00000
     24       1.2398      2.00000
     25       1.2665      2.00000
     26       1.3451      2.00000
     27       1.4145      2.00000
     28       1.4502      2.00000
     29       1.6162      2.00000
     30       1.6920      2.00000
     31       1.7342      2.00000
     32       1.8321      2.00000
     33       1.8845      2.00000
     34       1.9624      2.00000
     35       2.1327      2.00000
     36       2.2068      2.00000
     37       2.2628      2.00000
     38       2.3134      2.00000
     39       2.4075      2.00000
     40       2.5212      2.00000
     41       2.5491      2.00000
     42       2.6161      2.00000
     43       2.7301      2.00000
     44       2.7674      2.00000
     45       2.8073      2.00000
     46       2.8963      2.00000
     47       2.9764      2.00000
     48       3.0083      2.00000
     49       3.1240      2.00000
     50       3.1693      2.00000
     51       3.2215      2.00000
     52       3.2978      2.00000
     53       3.4437      2.00000
     54       3.6381      2.00000
     55       3.7894      2.00000
     56       3.9578      2.00000
     57       4.1675      2.00000
     58       4.5260      2.00000
     59       5.2652      2.00000
     60       6.0736      0.61834
     61       6.5973     -0.00042
     62       7.0164     -0.00000
     63       7.8003     -0.00000
     64       8.0717     -0.00000
     65       8.4032     -0.00000
     66       8.7379     -0.00000
     67       9.6998     -0.00000
     68      10.4852     -0.00000
     69      10.9092     -0.00000
     70      11.0576     -0.00000
     71      11.3029     -0.00000
     72      12.5127      0.00000
     73      12.8691      0.00000
     74      13.0393      0.00000
     75      13.1966      0.00000
     76      13.5057      0.00000
     77      13.5881      0.00000
     78      13.9634      0.00000
     79      14.3640      0.00000
     80      14.4910      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9035      2.00000
      2     -39.8965      2.00000
      3     -39.7883      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5848      2.00000
      7     -39.5701      2.00000
      8      -1.8428      2.00000
      9      -0.9177      2.00000
     10       0.0515      2.00000
     11       0.1809      2.00000
     12       0.2115      2.00000
     13       0.3057      2.00000
     14       0.4300      2.00000
     15       0.6059      2.00000
     16       0.6267      2.00000
     17       0.6357      2.00000
     18       0.7015      2.00000
     19       0.7356      2.00000
     20       0.8560      2.00000
     21       0.9608      2.00000
     22       1.0974      2.00000
     23       1.1109      2.00000
     24       1.2131      2.00000
     25       1.2774      2.00000
     26       1.3595      2.00000
     27       1.3794      2.00000
     28       1.5618      2.00000
     29       1.6607      2.00000
     30       1.7039      2.00000
     31       1.7210      2.00000
     32       1.8134      2.00000
     33       1.8705      2.00000
     34       1.9031      2.00000
     35       2.1323      2.00000
     36       2.2245      2.00000
     37       2.2603      2.00000
     38       2.3886      2.00000
     39       2.4397      2.00000
     40       2.5401      2.00000
     41       2.5931      2.00000
     42       2.6307      2.00000
     43       2.6869      2.00000
     44       2.8554      2.00000
     45       2.8789      2.00000
     46       2.9972      2.00000
     47       3.0609      2.00000
     48       3.0656      2.00000
     49       3.1432      2.00000
     50       3.1931      2.00000
     51       3.2727      2.00000
     52       3.3246      2.00000
     53       3.5431      2.00000
     54       3.6525      2.00000
     55       3.9274      2.00000
     56       3.9545      2.00000
     57       4.2174      2.00000
     58       4.4127      2.00000
     59       5.0263      2.00000
     60       5.6442      2.02084
     61       6.2570     -0.06898
     62       7.7396     -0.00000
     63       8.2544     -0.00000
     64       8.6130     -0.00000
     65       8.6446     -0.00000
     66       9.7629     -0.00000
     67      10.3767     -0.00000
     68      10.6040     -0.00000
     69      10.8098     -0.00000
     70      11.2854     -0.00000
     71      11.7298      0.00000
     72      12.4963      0.00000
     73      12.7684      0.00000
     74      12.8231      0.00000
     75      13.1788      0.00000
     76      13.2678      0.00000
     77      13.7174      0.00000
     78      14.4356      0.00000
     79      14.5021      0.00000
     80      14.5476      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6387      2.00000
      5     -39.6384      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.6431      2.00000
      9      -0.6348      2.00000
     10      -0.1965      2.00000
     11       0.2565      2.00000
     12       0.3014      2.00000
     13       0.4447      2.00000
     14       0.4529      2.00000
     15       0.5997      2.00000
     16       0.6476      2.00000
     17       0.7410      2.00000
     18       0.7940      2.00000
     19       0.8880      2.00000
     20       0.9488      2.00000
     21       0.9937      2.00000
     22       1.0925      2.00000
     23       1.1547      2.00000
     24       1.1840      2.00000
     25       1.2604      2.00000
     26       1.3745      2.00000
     27       1.3849      2.00000
     28       1.5060      2.00000
     29       1.6351      2.00000
     30       1.6549      2.00000
     31       1.7546      2.00000
     32       1.8856      2.00000
     33       1.9027      2.00000
     34       2.0062      2.00000
     35       2.0841      2.00000
     36       2.1913      2.00000
     37       2.2457      2.00000
     38       2.3296      2.00000
     39       2.4104      2.00000
     40       2.4830      2.00000
     41       2.5785      2.00000
     42       2.6360      2.00000
     43       2.7289      2.00000
     44       2.7758      2.00000
     45       2.8322      2.00000
     46       2.8637      2.00000
     47       2.9364      2.00000
     48       3.0314      2.00000
     49       3.0971      2.00000
     50       3.1560      2.00000
     51       3.2280      2.00000
     52       3.2672      2.00000
     53       3.5553      2.00000
     54       3.6815      2.00000
     55       3.7520      2.00000
     56       3.8178      2.00000
     57       4.0950      2.00000
     58       4.9684      2.00000
     59       5.0846      2.00000
     60       5.8469      2.02328
     61       6.8104     -0.00000
     62       7.2104     -0.00000
     63       7.7653     -0.00000
     64       8.6905     -0.00000
     65       8.9364     -0.00000
     66       9.2072     -0.00000
     67       9.4701     -0.00000
     68       9.6240     -0.00000
     69       9.7970     -0.00000
     70      10.9902     -0.00000
     71      11.5656      0.00000
     72      12.1418      0.00000
     73      12.3327      0.00000
     74      12.4819      0.00000
     75      13.1693      0.00000
     76      13.3389      0.00000
     77      13.6817      0.00000
     78      14.0984      0.00000
     79      14.4199      0.00000
     80      14.5547      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0640      2.00000
      9      -0.2560      2.00000
     10      -0.1966      2.00000
     11       0.2725      2.00000
     12       0.4372      2.00000
     13       0.5355      2.00000
     14       0.5711      2.00000
     15       0.6942      2.00000
     16       0.8000      2.00000
     17       0.8480      2.00000
     18       0.9220      2.00000
     19       1.0187      2.00000
     20       1.1051      2.00000
     21       1.1103      2.00000
     22       1.1523      2.00000
     23       1.2102      2.00000
     24       1.2429      2.00000
     25       1.2927      2.00000
     26       1.3668      2.00000
     27       1.5066      2.00000
     28       1.5923      2.00000
     29       1.6473      2.00000
     30       1.6716      2.00000
     31       1.8315      2.00000
     32       1.8499      2.00000
     33       2.0058      2.00000
     34       2.0119      2.00000
     35       2.0726      2.00000
     36       2.1826      2.00000
     37       2.2139      2.00000
     38       2.2564      2.00000
     39       2.3076      2.00000
     40       2.3779      2.00000
     41       2.5210      2.00000
     42       2.6366      2.00000
     43       2.6643      2.00000
     44       2.7313      2.00000
     45       2.7695      2.00000
     46       2.8096      2.00000
     47       2.8521      2.00000
     48       2.9363      2.00000
     49       2.9680      2.00000
     50       3.1058      2.00000
     51       3.1294      2.00000
     52       3.2208      2.00000
     53       3.4223      2.00000
     54       3.5052      2.00000
     55       3.5952      2.00000
     56       3.6952      2.00000
     57       4.4246      2.00000
     58       4.8116      2.00000
     59       5.4304      2.00020
     60       5.9928      1.28626
     61       6.6093     -0.00031
     62       6.9660     -0.00000
     63       7.0305     -0.00000
     64       7.3477     -0.00000
     65       8.2744     -0.00000
     66       8.5235     -0.00000
     67       8.8205     -0.00000
     68       9.3632     -0.00000
     69       9.9964     -0.00000
     70      10.2113     -0.00000
     71      10.3624     -0.00000
     72      11.0983     -0.00000
     73      11.7822      0.00000
     74      12.1631      0.00000
     75      12.3088      0.00000
     76      12.9937      0.00000
     77      13.7908      0.00000
     78      13.8541      0.00000
     79      14.1389      0.00000
     80      14.2624      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3532      2.00000
      9      -0.1279      2.00000
     10       0.0866      2.00000
     11       0.1586      2.00000
     12       0.4664      2.00000
     13       0.5764      2.00000
     14       0.6458      2.00000
     15       0.7004      2.00000
     16       0.7501      2.00000
     17       0.9014      2.00000
     18       0.9591      2.00000
     19       1.0757      2.00000
     20       1.1581      2.00000
     21       1.1931      2.00000
     22       1.2235      2.00000
     23       1.3336      2.00000
     24       1.3904      2.00000
     25       1.4842      2.00000
     26       1.5445      2.00000
     27       1.5780      2.00000
     28       1.6474      2.00000
     29       1.7188      2.00000
     30       1.7943      2.00000
     31       1.8596      2.00000
     32       1.9193      2.00000
     33       1.9497      2.00000
     34       2.0975      2.00000
     35       2.1562      2.00000
     36       2.1663      2.00000
     37       2.2546      2.00000
     38       2.2703      2.00000
     39       2.3420      2.00000
     40       2.3836      2.00000
     41       2.4250      2.00000
     42       2.5246      2.00000
     43       2.5787      2.00000
     44       2.6047      2.00000
     45       2.6236      2.00000
     46       2.6935      2.00000
     47       2.7848      2.00000
     48       2.8007      2.00000
     49       2.8840      2.00000
     50       3.0808      2.00000
     51       3.1390      2.00000
     52       3.1964      2.00000
     53       3.3709      2.00000
     54       3.5418      2.00000
     55       3.6354      2.00000
     56       3.8995      2.00000
     57       4.3845      2.00000
     58       4.7409      2.00000
     59       5.1057      2.00000
     60       5.6402      2.01962
     61       5.7009      2.04327
     62       6.1870      0.02038
     63       6.6517     -0.00009
     64       7.0102     -0.00000
     65       7.5224     -0.00000
     66       7.8836     -0.00000
     67       9.0203     -0.00000
     68       9.6011     -0.00000
     69       9.9059     -0.00000
     70      10.0975     -0.00000
     71      10.5226     -0.00000
     72      10.7340     -0.00000
     73      11.1227     -0.00000
     74      11.6506      0.00000
     75      12.2751      0.00000
     76      13.0215      0.00000
     77      13.2090      0.00000
     78      13.9116      0.00000
     79      13.9232      0.00000
     80      14.0801      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5792      2.00000
      7     -39.5760      2.00000
      8      -0.4387      2.00000
      9      -0.1339      2.00000
     10       0.0016      2.00000
     11       0.1403      2.00000
     12       0.5465      2.00000
     13       0.5846      2.00000
     14       0.6540      2.00000
     15       0.7633      2.00000
     16       0.8736      2.00000
     17       0.9606      2.00000
     18       1.0139      2.00000
     19       1.0650      2.00000
     20       1.1226      2.00000
     21       1.1814      2.00000
     22       1.2312      2.00000
     23       1.3252      2.00000
     24       1.4031      2.00000
     25       1.4857      2.00000
     26       1.5121      2.00000
     27       1.5617      2.00000
     28       1.6114      2.00000
     29       1.7236      2.00000
     30       1.7652      2.00000
     31       1.8044      2.00000
     32       1.9041      2.00000
     33       1.9656      2.00000
     34       1.9802      2.00000
     35       2.0618      2.00000
     36       2.1910      2.00000
     37       2.2017      2.00000
     38       2.2980      2.00000
     39       2.3330      2.00000
     40       2.3646      2.00000
     41       2.4837      2.00000
     42       2.5062      2.00000
     43       2.5919      2.00000
     44       2.6267      2.00000
     45       2.6891      2.00000
     46       2.7834      2.00000
     47       2.8098      2.00000
     48       2.8237      2.00000
     49       2.9085      2.00000
     50       3.1344      2.00000
     51       3.1887      2.00000
     52       3.2421      2.00000
     53       3.5222      2.00000
     54       3.5805      2.00000
     55       3.6953      2.00000
     56       3.8803      2.00000
     57       4.4432      2.00000
     58       4.6000      2.00000
     59       5.0010      2.00000
     60       5.4261      2.00018
     61       5.7435      2.06217
     62       5.8404      2.03364
     63       6.7153     -0.00001
     64       6.9986     -0.00000
     65       7.3119     -0.00000
     66       7.5435     -0.00000
     67       9.0407     -0.00000
     68       9.3985     -0.00000
     69      10.1245     -0.00000
     70      10.5504     -0.00000
     71      10.9127     -0.00000
     72      11.2231     -0.00000
     73      11.4310     -0.00000
     74      11.7244      0.00000
     75      12.0083      0.00000
     76      12.6649      0.00000
     77      13.4871      0.00000
     78      13.6146      0.00000
     79      14.1096      0.00000
     80      14.1775      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5821      2.00000
      7     -39.5730      2.00000
      8      -1.1241      2.00000
      9      -0.5251      2.00000
     10       0.1211      2.00000
     11       0.1377      2.00000
     12       0.5148      2.00000
     13       0.5997      2.00000
     14       0.6598      2.00000
     15       0.7000      2.00000
     16       0.8071      2.00000
     17       0.8329      2.00000
     18       0.8569      2.00000
     19       0.9507      2.00000
     20       1.1078      2.00000
     21       1.1482      2.00000
     22       1.1890      2.00000
     23       1.2156      2.00000
     24       1.3270      2.00000
     25       1.3808      2.00000
     26       1.4130      2.00000
     27       1.4557      2.00000
     28       1.5250      2.00000
     29       1.5757      2.00000
     30       1.7006      2.00000
     31       1.7462      2.00000
     32       1.8860      2.00000
     33       1.9264      2.00000
     34       1.9838      2.00000
     35       2.1293      2.00000
     36       2.1729      2.00000
     37       2.2453      2.00000
     38       2.2945      2.00000
     39       2.3599      2.00000
     40       2.4334      2.00000
     41       2.5232      2.00000
     42       2.5801      2.00000
     43       2.6731      2.00000
     44       2.7020      2.00000
     45       2.7807      2.00000
     46       2.8134      2.00000
     47       2.8580      2.00000
     48       2.9162      2.00000
     49       2.9687      2.00000
     50       3.0901      2.00000
     51       3.1310      2.00000
     52       3.2254      2.00000
     53       3.3606      2.00000
     54       3.5232      2.00000
     55       3.7124      2.00000
     56       4.1366      2.00000
     57       4.5988      2.00000
     58       4.9994      2.00000
     59       5.3589      2.00002
     60       5.6870      2.03703
     61       6.0335      0.94661
     62       6.2279     -0.05100
     63       6.7138     -0.00001
     64       7.1850     -0.00000
     65       7.6623     -0.00000
     66       8.7857     -0.00000
     67       8.9227     -0.00000
     68       9.3729     -0.00000
     69      10.3964     -0.00000
     70      10.6073     -0.00000
     71      11.0610     -0.00000
     72      11.6457      0.00000
     73      12.2162      0.00000
     74      12.5066      0.00000
     75      12.8414      0.00000
     76      13.3618      0.00000
     77      13.5946      0.00000
     78      14.0945      0.00000
     79      14.2298      0.00000
     80      14.4865      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5841      2.00000
      7     -39.5709      2.00000
      8      -1.6438      2.00000
      9      -0.8769      2.00000
     10       0.1529      2.00000
     11       0.2678      2.00000
     12       0.3212      2.00000
     13       0.3344      2.00000
     14       0.4154      2.00000
     15       0.6297      2.00000
     16       0.6560      2.00000
     17       0.6793      2.00000
     18       0.7664      2.00000
     19       0.8667      2.00000
     20       0.9485      2.00000
     21       1.0693      2.00000
     22       1.1346      2.00000
     23       1.1904      2.00000
     24       1.2292      2.00000
     25       1.2867      2.00000
     26       1.3864      2.00000
     27       1.4059      2.00000
     28       1.4893      2.00000
     29       1.6017      2.00000
     30       1.7020      2.00000
     31       1.7511      2.00000
     32       1.8527      2.00000
     33       1.8630      2.00000
     34       2.0383      2.00000
     35       2.1686      2.00000
     36       2.1989      2.00000
     37       2.2364      2.00000
     38       2.2697      2.00000
     39       2.3787      2.00000
     40       2.4492      2.00000
     41       2.5176      2.00000
     42       2.6353      2.00000
     43       2.6640      2.00000
     44       2.7893      2.00000
     45       2.8347      2.00000
     46       2.8860      2.00000
     47       2.9589      2.00000
     48       3.0025      2.00000
     49       3.1270      2.00000
     50       3.1894      2.00000
     51       3.2233      2.00000
     52       3.3050      2.00000
     53       3.4919      2.00000
     54       3.7235      2.00000
     55       3.9432      2.00000
     56       3.9686      2.00000
     57       4.2044      2.00000
     58       4.6012      2.00000
     59       5.0798      2.00000
     60       5.6691      2.02963
     61       6.7918     -0.00000
     62       7.3711     -0.00000
     63       7.6849     -0.00000
     64       8.2745     -0.00000
     65       8.4763     -0.00000
     66       8.5632     -0.00000
     67       9.0014     -0.00000
     68       9.2188     -0.00000
     69      11.3599     -0.00000
     70      12.1412      0.00000
     71      12.4483      0.00000
     72      12.6852      0.00000
     73      12.8118      0.00000
     74      13.1419      0.00000
     75      13.2824      0.00000
     76      13.5472      0.00000
     77      13.7156      0.00000
     78      13.7919      0.00000
     79      13.9002      0.00000
     80      14.0840      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9035      2.00000
      2     -39.8965      2.00000
      3     -39.7883      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5849      2.00000
      7     -39.5701      2.00000
      8      -1.6490      2.00000
      9      -0.7693      2.00000
     10      -0.5803      2.00000
     11       0.0896      2.00000
     12       0.2769      2.00000
     13       0.3883      2.00000
     14       0.4080      2.00000
     15       0.5636      2.00000
     16       0.6439      2.00000
     17       0.7523      2.00000
     18       0.7554      2.00000
     19       0.8440      2.00000
     20       0.9024      2.00000
     21       0.9334      2.00000
     22       1.0570      2.00000
     23       1.1155      2.00000
     24       1.1419      2.00000
     25       1.2411      2.00000
     26       1.3326      2.00000
     27       1.3655      2.00000
     28       1.4985      2.00000
     29       1.6100      2.00000
     30       1.6260      2.00000
     31       1.7891      2.00000
     32       1.9088      2.00000
     33       1.9192      2.00000
     34       2.1034      2.00000
     35       2.1566      2.00000
     36       2.2325      2.00000
     37       2.3602      2.00000
     38       2.4496      2.00000
     39       2.4725      2.00000
     40       2.4781      2.00000
     41       2.5545      2.00000
     42       2.6260      2.00000
     43       2.6898      2.00000
     44       2.7128      2.00000
     45       2.8239      2.00000
     46       2.8770      2.00000
     47       2.9606      2.00000
     48       2.9853      2.00000
     49       3.1626      2.00000
     50       3.2388      2.00000
     51       3.3259      2.00000
     52       3.3550      2.00000
     53       3.4535      2.00000
     54       3.5446      2.00000
     55       3.7217      2.00000
     56       3.7562      2.00000
     57       3.9994      2.00000
     58       4.2005      2.00000
     59       5.8180      2.05847
     60       7.2643     -0.00000
     61       7.4093     -0.00000
     62       7.4775     -0.00000
     63       7.7695     -0.00000
     64       8.3066     -0.00000
     65       8.7631     -0.00000
     66       9.3045     -0.00000
     67       9.9120     -0.00000
     68      10.5062     -0.00000
     69      10.6709     -0.00000
     70      11.1948     -0.00000
     71      11.2454     -0.00000
     72      11.4340     -0.00000
     73      12.4441      0.00000
     74      12.9706      0.00000
     75      13.1672      0.00000
     76      13.1780      0.00000
     77      13.4115      0.00000
     78      13.8750      0.00000
     79      13.8862      0.00000
     80      14.6358      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5842      2.00000
      7     -39.5708      2.00000
      8      -1.3806      2.00000
      9      -0.7628      2.00000
     10      -0.3898      2.00000
     11       0.1303      2.00000
     12       0.2048      2.00000
     13       0.4847      2.00000
     14       0.5488      2.00000
     15       0.6393      2.00000
     16       0.6586      2.00000
     17       0.7552      2.00000
     18       0.7720      2.00000
     19       0.9310      2.00000
     20       0.9660      2.00000
     21       1.0039      2.00000
     22       1.0081      2.00000
     23       1.1139      2.00000
     24       1.1779      2.00000
     25       1.1987      2.00000
     26       1.3408      2.00000
     27       1.3652      2.00000
     28       1.5688      2.00000
     29       1.6260      2.00000
     30       1.7371      2.00000
     31       1.7733      2.00000
     32       1.8403      2.00000
     33       1.9749      2.00000
     34       2.0264      2.00000
     35       2.0563      2.00000
     36       2.1595      2.00000
     37       2.2899      2.00000
     38       2.2941      2.00000
     39       2.3703      2.00000
     40       2.5323      2.00000
     41       2.5667      2.00000
     42       2.6548      2.00000
     43       2.7144      2.00000
     44       2.7511      2.00000
     45       2.8086      2.00000
     46       2.9010      2.00000
     47       2.9307      2.00000
     48       3.0210      2.00000
     49       3.1142      2.00000
     50       3.1606      2.00000
     51       3.2394      2.00000
     52       3.3618      2.00000
     53       3.3804      2.00000
     54       3.5752      2.00000
     55       3.7923      2.00000
     56       3.8527      2.00000
     57       3.9962      2.00000
     58       4.2355      2.00000
     59       6.2091     -0.02616
     60       6.5137     -0.00311
     61       7.4004     -0.00000
     62       7.7708     -0.00000
     63       7.9122     -0.00000
     64       8.3702     -0.00000
     65       8.5842     -0.00000
     66       8.8199     -0.00000
     67       8.8661     -0.00000
     68       9.6915     -0.00000
     69      10.2238     -0.00000
     70      10.6388     -0.00000
     71      10.7690     -0.00000
     72      11.1322     -0.00000
     73      11.9120      0.00000
     74      12.3230      0.00000
     75      12.6586      0.00000
     76      13.1868      0.00000
     77      13.6273      0.00000
     78      13.9661      0.00000
     79      14.2822      0.00000
     80      14.6694      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9020      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5822      2.00000
      7     -39.5729      2.00000
      8      -0.8949      2.00000
      9      -0.3713      2.00000
     10      -0.0249      2.00000
     11       0.0753      2.00000
     12       0.4547      2.00000
     13       0.5082      2.00000
     14       0.6103      2.00000
     15       0.7052      2.00000
     16       0.7655      2.00000
     17       0.7733      2.00000
     18       0.8368      2.00000
     19       0.9030      2.00000
     20       1.0117      2.00000
     21       1.0439      2.00000
     22       1.1667      2.00000
     23       1.2493      2.00000
     24       1.3015      2.00000
     25       1.3927      2.00000
     26       1.4298      2.00000
     27       1.5073      2.00000
     28       1.6227      2.00000
     29       1.6719      2.00000
     30       1.7326      2.00000
     31       1.7960      2.00000
     32       1.8474      2.00000
     33       1.9330      2.00000
     34       1.9925      2.00000
     35       2.0386      2.00000
     36       2.0788      2.00000
     37       2.2247      2.00000
     38       2.2656      2.00000
     39       2.3007      2.00000
     40       2.4144      2.00000
     41       2.5635      2.00000
     42       2.6289      2.00000
     43       2.6391      2.00000
     44       2.7172      2.00000
     45       2.7463      2.00000
     46       2.8439      2.00000
     47       2.8832      2.00000
     48       2.9120      2.00000
     49       2.9448      2.00000
     50       3.0480      2.00000
     51       3.1462      2.00000
     52       3.3161      2.00000
     53       3.3510      2.00000
     54       3.4953      2.00000
     55       3.5787      2.00000
     56       3.7649      2.00000
     57       4.4180      2.00000
     58       5.2398      2.00000
     59       5.2942      2.00000
     60       5.9545      1.57240
     61       7.0852     -0.00000
     62       7.1987     -0.00000
     63       7.3503     -0.00000
     64       7.4608     -0.00000
     65       8.1581     -0.00000
     66       8.4092     -0.00000
     67       8.6309     -0.00000
     68       9.0443     -0.00000
     69       9.3244     -0.00000
     70       9.8240     -0.00000
     71      10.8107     -0.00000
     72      11.0155     -0.00000
     73      11.3072     -0.00000
     74      11.6534      0.00000
     75      12.5189      0.00000
     76      13.1336      0.00000
     77      13.4084      0.00000
     78      13.6874      0.00000
     79      13.9474      0.00000
     80      14.1869      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3793      2.00000
      9      -0.0601      2.00000
     10       0.1151      2.00000
     11       0.1684      2.00000
     12       0.4667      2.00000
     13       0.5049      2.00000
     14       0.5611      2.00000
     15       0.6885      2.00000
     16       0.7949      2.00000
     17       0.9214      2.00000
     18       0.9544      2.00000
     19       1.1263      2.00000
     20       1.1799      2.00000
     21       1.2211      2.00000
     22       1.2459      2.00000
     23       1.3405      2.00000
     24       1.4229      2.00000
     25       1.4516      2.00000
     26       1.5045      2.00000
     27       1.5745      2.00000
     28       1.6358      2.00000
     29       1.6713      2.00000
     30       1.7298      2.00000
     31       1.8381      2.00000
     32       1.9177      2.00000
     33       1.9727      2.00000
     34       2.0431      2.00000
     35       2.1185      2.00000
     36       2.1289      2.00000
     37       2.2083      2.00000
     38       2.3034      2.00000
     39       2.3238      2.00000
     40       2.3642      2.00000
     41       2.4755      2.00000
     42       2.5345      2.00000
     43       2.5595      2.00000
     44       2.6373      2.00000
     45       2.7100      2.00000
     46       2.7476      2.00000
     47       2.8273      2.00000
     48       2.8487      2.00000
     49       2.9597      2.00000
     50       3.0852      2.00000
     51       3.1921      2.00000
     52       3.2951      2.00000
     53       3.3550      2.00000
     54       3.4773      2.00000
     55       3.5994      2.00000
     56       3.7967      2.00000
     57       4.0929      2.00000
     58       4.3016      2.00000
     59       5.4782      2.00072
     60       5.8624      1.99182
     61       6.0281      0.99159
     62       6.3331     -0.05263
     63       6.7516     -0.00000
     64       7.1626     -0.00000
     65       7.6397     -0.00000
     66       8.0755     -0.00000
     67       8.3246     -0.00000
     68       8.9093     -0.00000
     69       9.4365     -0.00000
     70      10.2698     -0.00000
     71      10.4536     -0.00000
     72      10.5678     -0.00000
     73      11.3382     -0.00000
     74      11.8662      0.00000
     75      12.2011      0.00000
     76      12.9543      0.00000
     77      13.0526      0.00000
     78      13.6990      0.00000
     79      14.0003      0.00000
     80      14.6638      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5760      2.00000
      8      -0.4355      2.00000
      9      -0.1329      2.00000
     10       0.0617      2.00000
     11       0.1442      2.00000
     12       0.5085      2.00000
     13       0.5422      2.00000
     14       0.6467      2.00000
     15       0.7223      2.00000
     16       0.9079      2.00000
     17       0.9311      2.00000
     18       1.0445      2.00000
     19       1.0914      2.00000
     20       1.1480      2.00000
     21       1.1930      2.00000
     22       1.2639      2.00000
     23       1.3070      2.00000
     24       1.4018      2.00000
     25       1.4292      2.00000
     26       1.4736      2.00000
     27       1.5162      2.00000
     28       1.6696      2.00000
     29       1.7053      2.00000
     30       1.7541      2.00000
     31       1.8056      2.00000
     32       1.8837      2.00000
     33       1.9295      2.00000
     34       2.0098      2.00000
     35       2.0873      2.00000
     36       2.1952      2.00000
     37       2.2201      2.00000
     38       2.2887      2.00000
     39       2.3604      2.00000
     40       2.3790      2.00000
     41       2.4558      2.00000
     42       2.5139      2.00000
     43       2.5614      2.00000
     44       2.6676      2.00000
     45       2.7015      2.00000
     46       2.7519      2.00000
     47       2.8246      2.00000
     48       2.8901      2.00000
     49       2.9173      2.00000
     50       3.1237      2.00000
     51       3.1780      2.00000
     52       3.2625      2.00000
     53       3.4823      2.00000
     54       3.5731      2.00000
     55       3.6131      2.00000
     56       3.9068      2.00000
     57       4.3409      2.00000
     58       4.8693      2.00000
     59       5.0109      2.00000
     60       5.2109      2.00000
     61       5.6210      2.01445
     62       5.8104      2.06354
     63       6.7487     -0.00000
     64       7.1737     -0.00000
     65       7.7298     -0.00000
     66       7.9080     -0.00000
     67       8.7171     -0.00000
     68       9.5104     -0.00000
     69       9.9801     -0.00000
     70      10.1414     -0.00000
     71      10.4890     -0.00000
     72      10.6031     -0.00000
     73      11.1487     -0.00000
     74      11.8289      0.00000
     75      12.2703      0.00000
     76      12.7373      0.00000
     77      13.6183      0.00000
     78      14.0829      0.00000
     79      14.3063      0.00000
     80      14.5361      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0690      2.00000
      9      -0.3507      2.00000
     10      -0.1033      2.00000
     11       0.2808      2.00000
     12       0.4496      2.00000
     13       0.5246      2.00000
     14       0.5564      2.00000
     15       0.6961      2.00000
     16       0.7949      2.00000
     17       0.8528      2.00000
     18       0.9284      2.00000
     19       0.9609      2.00000
     20       1.0598      2.00000
     21       1.0926      2.00000
     22       1.1839      2.00000
     23       1.2289      2.00000
     24       1.2819      2.00000
     25       1.3387      2.00000
     26       1.4279      2.00000
     27       1.4674      2.00000
     28       1.5624      2.00000
     29       1.6201      2.00000
     30       1.7842      2.00000
     31       1.8272      2.00000
     32       1.8580      2.00000
     33       1.9777      2.00000
     34       2.0039      2.00000
     35       2.0600      2.00000
     36       2.1151      2.00000
     37       2.1411      2.00000
     38       2.2164      2.00000
     39       2.3398      2.00000
     40       2.4375      2.00000
     41       2.4771      2.00000
     42       2.6134      2.00000
     43       2.6612      2.00000
     44       2.6917      2.00000
     45       2.7976      2.00000
     46       2.8250      2.00000
     47       2.8799      2.00000
     48       2.9394      2.00000
     49       2.9882      2.00000
     50       3.0923      2.00000
     51       3.1371      2.00000
     52       3.2493      2.00000
     53       3.3295      2.00000
     54       3.4614      2.00000
     55       3.6342      2.00000
     56       4.0864      2.00000
     57       4.2787      2.00000
     58       5.1925      2.00000
     59       5.7618      2.06814
     60       5.9313      1.71695
     61       6.1182      0.31079
     62       6.5613     -0.00105
     63       6.7995     -0.00000
     64       7.2695     -0.00000
     65       7.6767     -0.00000
     66       8.3606     -0.00000
     67       9.3632     -0.00000
     68       9.5306     -0.00000
     69      10.0008     -0.00000
     70      10.2384     -0.00000
     71      11.3393     -0.00000
     72      11.4926      0.00000
     73      11.8070      0.00000
     74      11.9795      0.00000
     75      12.3215      0.00000
     76      12.7859      0.00000
     77      13.3904      0.00000
     78      13.7070      0.00000
     79      13.8519      0.00000
     80      14.2679      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.5447      2.00000
      9      -0.5329      2.00000
     10      -0.4546      2.00000
     11       0.2224      2.00000
     12       0.2479      2.00000
     13       0.4883      2.00000
     14       0.5343      2.00000
     15       0.6065      2.00000
     16       0.6452      2.00000
     17       0.6859      2.00000
     18       0.8096      2.00000
     19       0.9136      2.00000
     20       0.9583      2.00000
     21       0.9969      2.00000
     22       1.0273      2.00000
     23       1.1281      2.00000
     24       1.1720      2.00000
     25       1.2277      2.00000
     26       1.4022      2.00000
     27       1.4438      2.00000
     28       1.4961      2.00000
     29       1.6060      2.00000
     30       1.6499      2.00000
     31       1.7420      2.00000
     32       1.8772      2.00000
     33       1.8975      2.00000
     34       2.0238      2.00000
     35       2.1128      2.00000
     36       2.2134      2.00000
     37       2.2750      2.00000
     38       2.3582      2.00000
     39       2.3826      2.00000
     40       2.4536      2.00000
     41       2.5985      2.00000
     42       2.6830      2.00000
     43       2.7081      2.00000
     44       2.7469      2.00000
     45       2.8497      2.00000
     46       2.8761      2.00000
     47       2.9046      2.00000
     48       3.0638      2.00000
     49       3.1035      2.00000
     50       3.1801      2.00000
     51       3.2357      2.00000
     52       3.2404      2.00000
     53       3.5443      2.00000
     54       3.6253      2.00000
     55       3.6626      2.00000
     56       3.8512      2.00000
     57       3.9808      2.00000
     58       4.5097      2.00000
     59       5.6729      2.03111
     60       6.3738     -0.03423
     61       6.7236     -0.00001
     62       7.5490     -0.00000
     63       7.9506     -0.00000
     64       8.6850     -0.00000
     65       8.8797     -0.00000
     66       9.2419     -0.00000
     67       9.4148     -0.00000
     68       9.4979     -0.00000
     69       9.8017     -0.00000
     70      10.5613     -0.00000
     71      11.1958     -0.00000
     72      11.5566      0.00000
     73      12.0492      0.00000
     74      12.2662      0.00000
     75      13.0130      0.00000
     76      13.2304      0.00000
     77      13.3273      0.00000
     78      13.8870      0.00000
     79      14.6091      0.00000
     80      14.7036      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9035      2.00000
      2     -39.8965      2.00000
      3     -39.7883      2.00000
      4     -39.6389      2.00000
      5     -39.6383      2.00000
      6     -39.5849      2.00000
      7     -39.5701      2.00000
      8      -1.5974      2.00000
      9      -0.8178      2.00000
     10      -0.5509      2.00000
     11       0.0864      2.00000
     12       0.1596      2.00000
     13       0.3705      2.00000
     14       0.4096      2.00000
     15       0.5640      2.00000
     16       0.6551      2.00000
     17       0.7804      2.00000
     18       0.8022      2.00000
     19       0.8822      2.00000
     20       0.8851      2.00000
     21       0.9332      2.00000
     22       1.0251      2.00000
     23       1.0407      2.00000
     24       1.0865      2.00000
     25       1.2632      2.00000
     26       1.3173      2.00000
     27       1.3886      2.00000
     28       1.4863      2.00000
     29       1.6365      2.00000
     30       1.6792      2.00000
     31       1.7713      2.00000
     32       1.8489      2.00000
     33       1.9679      2.00000
     34       2.0227      2.00000
     35       2.1846      2.00000
     36       2.2150      2.00000
     37       2.3368      2.00000
     38       2.4365      2.00000
     39       2.4719      2.00000
     40       2.4797      2.00000
     41       2.5226      2.00000
     42       2.6355      2.00000
     43       2.6449      2.00000
     44       2.6676      2.00000
     45       2.8386      2.00000
     46       2.8515      2.00000
     47       2.9572      2.00000
     48       2.9606      2.00000
     49       2.9983      2.00000
     50       3.2039      2.00000
     51       3.2638      2.00000
     52       3.4589      2.00000
     53       3.5613      2.00000
     54       3.6593      2.00000
     55       3.9732      2.00000
     56       4.0991      2.00000
     57       4.2154      2.00000
     58       4.6105      2.00000
     59       5.8792      1.94595
     60       6.1796      0.04057
     61       6.6293     -0.00018
     62       7.3840     -0.00000
     63       7.9934     -0.00000
     64       8.2417     -0.00000
     65       8.7050     -0.00000
     66       9.1349     -0.00000
     67       9.1731     -0.00000
     68      10.9822     -0.00000
     69      11.4335     -0.00000
     70      11.6229      0.00000
     71      11.9247      0.00000
     72      12.3143      0.00000
     73      12.6432      0.00000
     74      13.2040      0.00000
     75      13.2143      0.00000
     76      13.3516      0.00000
     77      13.4125      0.00000
     78      13.8344      0.00000
     79      13.8550      0.00000
     80      14.0786      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5842      2.00000
      7     -39.5708      2.00000
      8      -1.3429      2.00000
      9      -0.6485      2.00000
     10      -0.5281      2.00000
     11       0.0646      2.00000
     12       0.2003      2.00000
     13       0.4801      2.00000
     14       0.5680      2.00000
     15       0.6382      2.00000
     16       0.6516      2.00000
     17       0.7624      2.00000
     18       0.8017      2.00000
     19       0.9213      2.00000
     20       0.9328      2.00000
     21       0.9635      2.00000
     22       0.9946      2.00000
     23       1.1092      2.00000
     24       1.1390      2.00000
     25       1.1901      2.00000
     26       1.3861      2.00000
     27       1.4403      2.00000
     28       1.6093      2.00000
     29       1.6245      2.00000
     30       1.6856      2.00000
     31       1.7311      2.00000
     32       1.7872      2.00000
     33       1.9437      2.00000
     34       2.0358      2.00000
     35       2.0851      2.00000
     36       2.2032      2.00000
     37       2.2223      2.00000
     38       2.2915      2.00000
     39       2.4647      2.00000
     40       2.4930      2.00000
     41       2.5432      2.00000
     42       2.6474      2.00000
     43       2.6873      2.00000
     44       2.7339      2.00000
     45       2.7595      2.00000
     46       2.8547      2.00000
     47       2.9025      2.00000
     48       2.9966      2.00000
     49       3.0773      2.00000
     50       3.1470      2.00000
     51       3.1784      2.00000
     52       3.3245      2.00000
     53       3.4474      2.00000
     54       3.5311      2.00000
     55       3.7746      2.00000
     56       3.9024      2.00000
     57       5.0417      2.00000
     58       5.1657      2.00000
     59       5.6569      2.02507
     60       6.0468      0.83441
     61       6.8536     -0.00000
     62       7.3583     -0.00000
     63       7.5070     -0.00000
     64       7.6997     -0.00000
     65       8.1227     -0.00000
     66       8.2502     -0.00000
     67      10.0023     -0.00000
     68      10.3703     -0.00000
     69      10.5365     -0.00000
     70      11.0590     -0.00000
     71      11.1701     -0.00000
     72      11.6612      0.00000
     73      12.3496      0.00000
     74      12.4705      0.00000
     75      12.9780      0.00000
     76      13.1882      0.00000
     77      13.7068      0.00000
     78      13.8474      0.00000
     79      14.1273      0.00000
     80      14.3926      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5822      2.00000
      7     -39.5729      2.00000
      8      -0.8861      2.00000
      9      -0.3518      2.00000
     10      -0.0380      2.00000
     11       0.0404      2.00000
     12       0.4832      2.00000
     13       0.5103      2.00000
     14       0.5941      2.00000
     15       0.7082      2.00000
     16       0.7483      2.00000
     17       0.7839      2.00000
     18       0.8414      2.00000
     19       0.8916      2.00000
     20       1.0093      2.00000
     21       1.0344      2.00000
     22       1.1431      2.00000
     23       1.2577      2.00000
     24       1.3499      2.00000
     25       1.4018      2.00000
     26       1.4777      2.00000
     27       1.5297      2.00000
     28       1.5680      2.00000
     29       1.6104      2.00000
     30       1.7629      2.00000
     31       1.8131      2.00000
     32       1.8806      2.00000
     33       1.9207      2.00000
     34       1.9793      2.00000
     35       2.0308      2.00000
     36       2.1314      2.00000
     37       2.1934      2.00000
     38       2.2372      2.00000
     39       2.2683      2.00000
     40       2.3351      2.00000
     41       2.5648      2.00000
     42       2.6142      2.00000
     43       2.6608      2.00000
     44       2.7340      2.00000
     45       2.7420      2.00000
     46       2.8594      2.00000
     47       2.8902      2.00000
     48       2.9281      2.00000
     49       2.9728      2.00000
     50       3.0589      2.00000
     51       3.1477      2.00000
     52       3.2862      2.00000
     53       3.3613      2.00000
     54       3.4232      2.00000
     55       3.5126      2.00000
     56       3.7270      2.00000
     57       4.6989      2.00000
     58       5.4116      2.00012
     59       5.6494      2.02251
     60       5.8472      2.02277
     61       6.7241     -0.00001
     62       6.9588     -0.00000
     63       7.1176     -0.00000
     64       7.2458     -0.00000
     65       8.4895     -0.00000
     66       8.5725     -0.00000
     67       8.6917     -0.00000
     68       8.8935     -0.00000
     69       9.2504     -0.00000
     70       9.6789     -0.00000
     71      10.9351     -0.00000
     72      11.1158     -0.00000
     73      11.3225     -0.00000
     74      11.8607      0.00000
     75      12.7764      0.00000
     76      13.0428      0.00000
     77      13.5272      0.00000
     78      13.7636      0.00000
     79      14.0320      0.00000
     80      14.3971      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3556      2.00000
      9      -0.1078      2.00000
     10       0.1110      2.00000
     11       0.1883      2.00000
     12       0.4745      2.00000
     13       0.5407      2.00000
     14       0.5978      2.00000
     15       0.6550      2.00000
     16       0.7593      2.00000
     17       0.9127      2.00000
     18       0.9610      2.00000
     19       1.0769      2.00000
     20       1.1631      2.00000
     21       1.2051      2.00000
     22       1.2499      2.00000
     23       1.3271      2.00000
     24       1.4086      2.00000
     25       1.5009      2.00000
     26       1.5195      2.00000
     27       1.5521      2.00000
     28       1.6366      2.00000
     29       1.7297      2.00000
     30       1.7533      2.00000
     31       1.8433      2.00000
     32       1.9129      2.00000
     33       1.9827      2.00000
     34       2.0520      2.00000
     35       2.1210      2.00000
     36       2.1881      2.00000
     37       2.2632      2.00000
     38       2.3159      2.00000
     39       2.3287      2.00000
     40       2.3878      2.00000
     41       2.4390      2.00000
     42       2.5368      2.00000
     43       2.5716      2.00000
     44       2.5886      2.00000
     45       2.6459      2.00000
     46       2.7128      2.00000
     47       2.7701      2.00000
     48       2.8200      2.00000
     49       2.9648      2.00000
     50       3.0566      2.00000
     51       3.1491      2.00000
     52       3.1945      2.00000
     53       3.3399      2.00000
     54       3.5441      2.00000
     55       3.6081      2.00000
     56       3.9673      2.00000
     57       4.2013      2.00000
     58       4.4312      2.00000
     59       5.2816      2.00000
     60       5.8434      2.02898
     61       5.9716      1.45052
     62       6.2634     -0.07030
     63       6.4778     -0.00649
     64       6.9924     -0.00000
     65       7.8682     -0.00000
     66       8.0591     -0.00000
     67       8.8398     -0.00000
     68       9.1764     -0.00000
     69       9.7379     -0.00000
     70       9.8439     -0.00000
     71      10.3744     -0.00000
     72      10.5975     -0.00000
     73      11.0035     -0.00000
     74      11.8603      0.00000
     75      12.5265      0.00000
     76      12.6869      0.00000
     77      13.3406      0.00000
     78      13.7534      0.00000
     79      14.3726      0.00000
     80      14.4598      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5760      2.00000
      8      -0.4278      2.00000
      9      -0.1250      2.00000
     10      -0.0013      2.00000
     11       0.1418      2.00000
     12       0.5588      2.00000
     13       0.6024      2.00000
     14       0.6612      2.00000
     15       0.7896      2.00000
     16       0.8118      2.00000
     17       0.9340      2.00000
     18       0.9807      2.00000
     19       1.0606      2.00000
     20       1.1245      2.00000
     21       1.1612      2.00000
     22       1.2513      2.00000
     23       1.3494      2.00000
     24       1.3983      2.00000
     25       1.4183      2.00000
     26       1.4996      2.00000
     27       1.6050      2.00000
     28       1.6805      2.00000
     29       1.7265      2.00000
     30       1.7814      2.00000
     31       1.8349      2.00000
     32       1.8977      2.00000
     33       1.9100      2.00000
     34       2.0104      2.00000
     35       2.1309      2.00000
     36       2.1941      2.00000
     37       2.2262      2.00000
     38       2.2587      2.00000
     39       2.3160      2.00000
     40       2.4012      2.00000
     41       2.4657      2.00000
     42       2.5048      2.00000
     43       2.5599      2.00000
     44       2.6331      2.00000
     45       2.6560      2.00000
     46       2.7390      2.00000
     47       2.7825      2.00000
     48       2.8346      2.00000
     49       2.8851      2.00000
     50       3.1474      2.00000
     51       3.1550      2.00000
     52       3.3560      2.00000
     53       3.4781      2.00000
     54       3.5873      2.00000
     55       3.6181      2.00000
     56       3.7804      2.00000
     57       4.3718      2.00000
     58       4.5693      2.00000
     59       5.1407      2.00000
     60       5.6272      2.01599
     61       5.7470      2.06347
     62       6.4313     -0.01495
     63       6.5129     -0.00317
     64       6.8545     -0.00000
     65       7.0009     -0.00000
     66       7.3901     -0.00000
     67       9.1203     -0.00000
     68       9.3259     -0.00000
     69      10.2769     -0.00000
     70      10.5906     -0.00000
     71      10.9063     -0.00000
     72      11.4774     -0.00000
     73      11.5887      0.00000
     74      11.8614      0.00000
     75      12.2205      0.00000
     76      12.6778      0.00000
     77      12.9669      0.00000
     78      13.1197      0.00000
     79      13.9304      0.00000
     80      14.2655      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0965      2.00000
      9      -0.2972      2.00000
     10      -0.1520      2.00000
     11       0.2449      2.00000
     12       0.4969      2.00000
     13       0.5613      2.00000
     14       0.5886      2.00000
     15       0.6697      2.00000
     16       0.7821      2.00000
     17       0.8683      2.00000
     18       0.9397      2.00000
     19       1.0321      2.00000
     20       1.1022      2.00000
     21       1.1349      2.00000
     22       1.1766      2.00000
     23       1.2009      2.00000
     24       1.2342      2.00000
     25       1.2702      2.00000
     26       1.3671      2.00000
     27       1.4975      2.00000
     28       1.5611      2.00000
     29       1.6511      2.00000
     30       1.6961      2.00000
     31       1.8032      2.00000
     32       1.8502      2.00000
     33       1.9751      2.00000
     34       2.0456      2.00000
     35       2.1094      2.00000
     36       2.1735      2.00000
     37       2.2328      2.00000
     38       2.2529      2.00000
     39       2.3119      2.00000
     40       2.3473      2.00000
     41       2.5385      2.00000
     42       2.6276      2.00000
     43       2.6535      2.00000
     44       2.7245      2.00000
     45       2.7483      2.00000
     46       2.7907      2.00000
     47       2.8295      2.00000
     48       2.9505      2.00000
     49       3.0088      2.00000
     50       3.0766      2.00000
     51       3.1493      2.00000
     52       3.2199      2.00000
     53       3.4370      2.00000
     54       3.4755      2.00000
     55       3.5752      2.00000
     56       3.7291      2.00000
     57       4.5410      2.00000
     58       4.7926      2.00000
     59       5.4030      2.00009
     60       5.9643      1.50396
     61       6.4866     -0.00546
     62       6.8190     -0.00000
     63       7.1235     -0.00000
     64       7.3964     -0.00000
     65       8.0337     -0.00000
     66       8.6728     -0.00000
     67       8.7804     -0.00000
     68       9.4050     -0.00000
     69       9.8642     -0.00000
     70       9.9500     -0.00000
     71      10.6552     -0.00000
     72      11.1905     -0.00000
     73      11.9076      0.00000
     74      12.2325      0.00000
     75      12.6321      0.00000
     76      13.2475      0.00000
     77      13.9969      0.00000
     78      14.0466      0.00000
     79      14.3851      0.00000
     80      14.4546      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6384      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.5346      2.00000
      9      -0.6166      2.00000
     10      -0.3614      2.00000
     11       0.2003      2.00000
     12       0.2459      2.00000
     13       0.4524      2.00000
     14       0.5344      2.00000
     15       0.6011      2.00000
     16       0.6419      2.00000
     17       0.7037      2.00000
     18       0.8210      2.00000
     19       0.9286      2.00000
     20       0.9560      2.00000
     21       0.9948      2.00000
     22       1.0600      2.00000
     23       1.1413      2.00000
     24       1.1679      2.00000
     25       1.2624      2.00000
     26       1.2822      2.00000
     27       1.3950      2.00000
     28       1.6046      2.00000
     29       1.6550      2.00000
     30       1.7198      2.00000
     31       1.7655      2.00000
     32       1.8323      2.00000
     33       1.8739      2.00000
     34       2.0026      2.00000
     35       2.0383      2.00000
     36       2.1303      2.00000
     37       2.3222      2.00000
     38       2.3589      2.00000
     39       2.4568      2.00000
     40       2.5285      2.00000
     41       2.5350      2.00000
     42       2.6122      2.00000
     43       2.6824      2.00000
     44       2.7049      2.00000
     45       2.8065      2.00000
     46       2.8532      2.00000
     47       2.9067      2.00000
     48       3.0636      2.00000
     49       3.1061      2.00000
     50       3.2154      2.00000
     51       3.2483      2.00000
     52       3.3129      2.00000
     53       3.4114      2.00000
     54       3.5973      2.00000
     55       3.8035      2.00000
     56       3.8244      2.00000
     57       3.9943      2.00000
     58       4.7525      2.00000
     59       5.6633      2.02740
     60       6.5517     -0.00132
     61       6.8326     -0.00000
     62       7.4741     -0.00000
     63       7.8773     -0.00000
     64       7.9383     -0.00000
     65       8.4335     -0.00000
     66       9.0542     -0.00000
     67       9.2239     -0.00000
     68      10.0164     -0.00000
     69      10.5097     -0.00000
     70      10.7183     -0.00000
     71      11.1426     -0.00000
     72      11.4859     -0.00000
     73      12.1280      0.00000
     74      12.6595      0.00000
     75      13.0294      0.00000
     76      13.3513      0.00000
     77      13.5145      0.00000
     78      13.9289      0.00000
     79      14.3188      0.00000
     80      14.5346      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9035      2.00000
      2     -39.8965      2.00000
      3     -39.7883      2.00000
      4     -39.6389      2.00000
      5     -39.6383      2.00000
      6     -39.5849      2.00000
      7     -39.5701      2.00000
      8      -1.5933      2.00000
      9      -0.7657      2.00000
     10      -0.6413      2.00000
     11       0.0812      2.00000
     12       0.2018      2.00000
     13       0.3664      2.00000
     14       0.4074      2.00000
     15       0.5808      2.00000
     16       0.6289      2.00000
     17       0.7434      2.00000
     18       0.7986      2.00000
     19       0.8577      2.00000
     20       0.9217      2.00000
     21       0.9393      2.00000
     22       1.0771      2.00000
     23       1.1264      2.00000
     24       1.1614      2.00000
     25       1.2540      2.00000
     26       1.2654      2.00000
     27       1.2782      2.00000
     28       1.4803      2.00000
     29       1.6088      2.00000
     30       1.6313      2.00000
     31       1.7616      2.00000
     32       1.8025      2.00000
     33       1.9251      2.00000
     34       2.1346      2.00000
     35       2.1702      2.00000
     36       2.3559      2.00000
     37       2.3680      2.00000
     38       2.4053      2.00000
     39       2.4443      2.00000
     40       2.4779      2.00000
     41       2.5462      2.00000
     42       2.6414      2.00000
     43       2.6666      2.00000
     44       2.7379      2.00000
     45       2.8096      2.00000
     46       2.8580      2.00000
     47       2.9033      2.00000
     48       2.9637      2.00000
     49       3.0466      2.00000
     50       3.1898      2.00000
     51       3.2334      2.00000
     52       3.3987      2.00000
     53       3.6009      2.00000
     54       3.6492      2.00000
     55       3.9652      2.00000
     56       4.0742      2.00000
     57       4.2322      2.00000
     58       4.5106      2.00000
     59       5.7138      2.04921
     60       6.2456     -0.06449
     61       6.7052     -0.00002
     62       7.5289     -0.00000
     63       7.8827     -0.00000
     64       8.1140     -0.00000
     65       8.8181     -0.00000
     66       9.3759     -0.00000
     67       9.6723     -0.00000
     68      10.7814     -0.00000
     69      10.8800     -0.00000
     70      11.4505     -0.00000
     71      12.0086      0.00000
     72      12.0781      0.00000
     73      12.5347      0.00000
     74      12.9230      0.00000
     75      13.0286      0.00000
     76      13.2929      0.00000
     77      13.4396      0.00000
     78      13.8913      0.00000
     79      14.0259      0.00000
     80      14.3401      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5842      2.00000
      7     -39.5708      2.00000
      8      -1.3763      2.00000
      9      -0.7205      2.00000
     10      -0.4510      2.00000
     11       0.1325      2.00000
     12       0.2013      2.00000
     13       0.4921      2.00000
     14       0.5629      2.00000
     15       0.6467      2.00000
     16       0.6504      2.00000
     17       0.7612      2.00000
     18       0.7795      2.00000
     19       0.9405      2.00000
     20       0.9484      2.00000
     21       0.9641      2.00000
     22       0.9935      2.00000
     23       1.1297      2.00000
     24       1.1728      2.00000
     25       1.1945      2.00000
     26       1.3815      2.00000
     27       1.3915      2.00000
     28       1.5244      2.00000
     29       1.6285      2.00000
     30       1.6367      2.00000
     31       1.8088      2.00000
     32       1.8551      2.00000
     33       1.9715      2.00000
     34       1.9963      2.00000
     35       2.1739      2.00000
     36       2.2132      2.00000
     37       2.2360      2.00000
     38       2.2687      2.00000
     39       2.3156      2.00000
     40       2.5527      2.00000
     41       2.5866      2.00000
     42       2.6335      2.00000
     43       2.7042      2.00000
     44       2.7530      2.00000
     45       2.8237      2.00000
     46       2.9064      2.00000
     47       2.9747      2.00000
     48       3.0107      2.00000
     49       3.1178      2.00000
     50       3.1643      2.00000
     51       3.2132      2.00000
     52       3.3164      2.00000
     53       3.4137      2.00000
     54       3.5695      2.00000
     55       3.7547      2.00000
     56       3.9097      2.00000
     57       4.0371      2.00000
     58       4.3170      2.00000
     59       6.2357     -0.05800
     60       6.6701     -0.00005
     61       7.1334     -0.00000
     62       7.3382     -0.00000
     63       8.0086     -0.00000
     64       8.2184     -0.00000
     65       8.3935     -0.00000
     66       8.8051     -0.00000
     67       9.6106     -0.00000
     68       9.8557     -0.00000
     69      10.1565     -0.00000
     70      10.3460     -0.00000
     71      10.8700     -0.00000
     72      11.3518     -0.00000
     73      12.0464      0.00000
     74      12.2262      0.00000
     75      12.6391      0.00000
     76      13.1488      0.00000
     77      13.5468      0.00000
     78      13.7879      0.00000
     79      14.3406      0.00000
     80      14.6268      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9020      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6384      2.00000
      6     -39.5822      2.00000
      7     -39.5729      2.00000
      8      -0.9008      2.00000
      9      -0.4444      2.00000
     10       0.0625      2.00000
     11       0.1124      2.00000
     12       0.4089      2.00000
     13       0.5103      2.00000
     14       0.6576      2.00000
     15       0.6861      2.00000
     16       0.7488      2.00000
     17       0.7911      2.00000
     18       0.8336      2.00000
     19       0.9201      2.00000
     20       1.0312      2.00000
     21       1.0534      2.00000
     22       1.1324      2.00000
     23       1.2435      2.00000
     24       1.2819      2.00000
     25       1.3039      2.00000
     26       1.3927      2.00000
     27       1.4777      2.00000
     28       1.6858      2.00000
     29       1.7141      2.00000
     30       1.8012      2.00000
     31       1.8331      2.00000
     32       1.8650      2.00000
     33       1.9173      2.00000
     34       1.9806      2.00000
     35       2.0074      2.00000
     36       2.0414      2.00000
     37       2.2436      2.00000
     38       2.3089      2.00000
     39       2.3621      2.00000
     40       2.4925      2.00000
     41       2.5321      2.00000
     42       2.5807      2.00000
     43       2.6934      2.00000
     44       2.7125      2.00000
     45       2.7498      2.00000
     46       2.7715      2.00000
     47       2.8713      2.00000
     48       2.8927      2.00000
     49       2.9218      2.00000
     50       3.0878      2.00000
     51       3.1814      2.00000
     52       3.3450      2.00000
     53       3.3552      2.00000
     54       3.5976      2.00000
     55       3.7565      2.00000
     56       3.8326      2.00000
     57       4.0281      2.00000
     58       4.6433      2.00000
     59       4.8226      2.00000
     60       6.5880     -0.00054
     61       7.0545     -0.00000
     62       7.5155     -0.00000
     63       7.6237     -0.00000
     64       7.8406     -0.00000
     65       8.0276     -0.00000
     66       8.7364     -0.00000
     67       8.9232     -0.00000
     68       9.1934     -0.00000
     69       9.5990     -0.00000
     70       9.6276     -0.00000
     71       9.8297     -0.00000
     72      10.1147     -0.00000
     73      11.4999      0.00000
     74      11.8007      0.00000
     75      11.9074      0.00000
     76      13.0248      0.00000
     77      13.3692      0.00000
     78      14.0296      0.00000
     79      14.2702      0.00000
     80      14.6448      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8991      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5759      2.00000
      8      -0.3513      2.00000
      9      -0.1092      2.00000
     10       0.1175      2.00000
     11       0.1661      2.00000
     12       0.4291      2.00000
     13       0.5479      2.00000
     14       0.6182      2.00000
     15       0.7093      2.00000
     16       0.7840      2.00000
     17       0.9026      2.00000
     18       0.9490      2.00000
     19       1.0794      2.00000
     20       1.1284      2.00000
     21       1.1943      2.00000
     22       1.2218      2.00000
     23       1.3528      2.00000
     24       1.4011      2.00000
     25       1.4591      2.00000
     26       1.5170      2.00000
     27       1.6712      2.00000
     28       1.7091      2.00000
     29       1.7365      2.00000
     30       1.7482      2.00000
     31       1.8457      2.00000
     32       1.8811      2.00000
     33       1.9460      2.00000
     34       2.0181      2.00000
     35       2.1320      2.00000
     36       2.1733      2.00000
     37       2.2601      2.00000
     38       2.2880      2.00000
     39       2.3592      2.00000
     40       2.4010      2.00000
     41       2.4458      2.00000
     42       2.5363      2.00000
     43       2.5821      2.00000
     44       2.6027      2.00000
     45       2.6513      2.00000
     46       2.6909      2.00000
     47       2.7405      2.00000
     48       2.7997      2.00000
     49       2.8816      2.00000
     50       3.0874      2.00000
     51       3.1354      2.00000
     52       3.1892      2.00000
     53       3.2336      2.00000
     54       3.4987      2.00000
     55       3.6066      2.00000
     56       3.9785      2.00000
     57       4.6379      2.00000
     58       4.7061      2.00000
     59       5.1234      2.00000
     60       5.6638      2.02760
     61       5.7798      2.07087
     62       6.0930      0.47453
     63       6.3843     -0.02999
     64       6.9454     -0.00000
     65       7.6706     -0.00000
     66       8.4673     -0.00000
     67       9.0105     -0.00000
     68       9.3682     -0.00000
     69       9.4877     -0.00000
     70       9.8322     -0.00000
     71      10.6448     -0.00000
     72      11.0614     -0.00000
     73      11.4278     -0.00000
     74      11.7383      0.00000
     75      12.1215      0.00000
     76      12.4700      0.00000
     77      12.7957      0.00000
     78      13.6312      0.00000
     79      13.9708      0.00000
     80      14.1937      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9006      2.00000
      2     -39.8990      2.00000
      3     -39.7877      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5793      2.00000
      7     -39.5760      2.00000
      8      -0.4155      2.00000
      9      -0.1747      2.00000
     10       0.0568      2.00000
     11       0.1485      2.00000
     12       0.5396      2.00000
     13       0.5963      2.00000
     14       0.6887      2.00000
     15       0.7552      2.00000
     16       0.8056      2.00000
     17       0.8851      2.00000
     18       0.9637      2.00000
     19       1.1007      2.00000
     20       1.1232      2.00000
     21       1.2138      2.00000
     22       1.2865      2.00000
     23       1.3037      2.00000
     24       1.3765      2.00000
     25       1.4201      2.00000
     26       1.4761      2.00000
     27       1.5616      2.00000
     28       1.6774      2.00000
     29       1.7537      2.00000
     30       1.7852      2.00000
     31       1.8404      2.00000
     32       1.8632      2.00000
     33       1.9695      2.00000
     34       2.0674      2.00000
     35       2.0979      2.00000
     36       2.1414      2.00000
     37       2.2529      2.00000
     38       2.2897      2.00000
     39       2.2937      2.00000
     40       2.4500      2.00000
     41       2.4810      2.00000
     42       2.4855      2.00000
     43       2.5636      2.00000
     44       2.6391      2.00000
     45       2.6584      2.00000
     46       2.7174      2.00000
     47       2.8007      2.00000
     48       2.8137      2.00000
     49       2.8907      2.00000
     50       3.1021      2.00000
     51       3.1810      2.00000
     52       3.2603      2.00000
     53       3.4888      2.00000
     54       3.5699      2.00000
     55       3.6637      2.00000
     56       4.0660      2.00000
     57       4.5168      2.00000
     58       4.5760      2.00000
     59       4.8454      2.00000
     60       5.1743      2.00000
     61       5.6672      2.02889
     62       6.1429      0.17936
     63       6.4083     -0.02141
     64       7.5743     -0.00000
     65       7.7417     -0.00000
     66       8.0460     -0.00000
     67       8.4170     -0.00000
     68       8.9782     -0.00000
     69       9.6687     -0.00000
     70      10.2876     -0.00000
     71      10.4476     -0.00000
     72      11.2908     -0.00000
     73      11.6969      0.00000
     74      12.2805      0.00000
     75      12.5052      0.00000
     76      12.6266      0.00000
     77      13.4061      0.00000
     78      13.6482      0.00000
     79      14.1895      0.00000
     80      14.3359      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9021      2.00000
      2     -39.8977      2.00000
      3     -39.7879      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5822      2.00000
      7     -39.5730      2.00000
      8      -1.0339      2.00000
      9      -0.4531      2.00000
     10      -0.0629      2.00000
     11       0.3388      2.00000
     12       0.4534      2.00000
     13       0.5277      2.00000
     14       0.5795      2.00000
     15       0.6580      2.00000
     16       0.7569      2.00000
     17       0.8283      2.00000
     18       0.9302      2.00000
     19       1.0006      2.00000
     20       1.0323      2.00000
     21       1.1080      2.00000
     22       1.1983      2.00000
     23       1.2199      2.00000
     24       1.3230      2.00000
     25       1.3542      2.00000
     26       1.3773      2.00000
     27       1.4515      2.00000
     28       1.5152      2.00000
     29       1.6164      2.00000
     30       1.7809      2.00000
     31       1.8546      2.00000
     32       1.8741      2.00000
     33       1.9376      2.00000
     34       1.9921      2.00000
     35       2.0498      2.00000
     36       2.1324      2.00000
     37       2.1995      2.00000
     38       2.2668      2.00000
     39       2.3394      2.00000
     40       2.4605      2.00000
     41       2.5006      2.00000
     42       2.5151      2.00000
     43       2.6585      2.00000
     44       2.6889      2.00000
     45       2.7734      2.00000
     46       2.8125      2.00000
     47       2.8604      2.00000
     48       2.9398      2.00000
     49       3.0346      2.00000
     50       3.0922      2.00000
     51       3.1596      2.00000
     52       3.2369      2.00000
     53       3.3311      2.00000
     54       3.4974      2.00000
     55       3.6589      2.00000
     56       3.8588      2.00000
     57       4.7740      2.00000
     58       5.2312      2.00000
     59       5.3359      2.00001
     60       5.6092      2.01184
     61       6.3476     -0.04595
     62       6.5446     -0.00155
     63       7.2863     -0.00000
     64       7.3927     -0.00000
     65       7.6947     -0.00000
     66       8.0762     -0.00000
     67       8.9028     -0.00000
     68       9.6594     -0.00000
     69      10.0022     -0.00000
     70      10.5052     -0.00000
     71      10.6895     -0.00000
     72      11.0008     -0.00000
     73      11.3321     -0.00000
     74      12.5049      0.00000
     75      13.0319      0.00000
     76      13.3302      0.00000
     77      13.6119      0.00000
     78      14.1538      0.00000
     79      14.2383      0.00000
     80      14.8684      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9031      2.00000
      2     -39.8968      2.00000
      3     -39.7882      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5842      2.00000
      7     -39.5709      2.00000
      8      -1.4721      2.00000
      9      -0.7219      2.00000
     10      -0.3416      2.00000
     11       0.1712      2.00000
     12       0.2317      2.00000
     13       0.4793      2.00000
     14       0.5411      2.00000
     15       0.6234      2.00000
     16       0.6426      2.00000
     17       0.6753      2.00000
     18       0.8343      2.00000
     19       0.8938      2.00000
     20       0.9485      2.00000
     21       0.9908      2.00000
     22       1.0060      2.00000
     23       1.1547      2.00000
     24       1.1887      2.00000
     25       1.2608      2.00000
     26       1.3370      2.00000
     27       1.4452      2.00000
     28       1.5555      2.00000
     29       1.6086      2.00000
     30       1.6270      2.00000
     31       1.7026      2.00000
     32       1.9054      2.00000
     33       1.9741      2.00000
     34       2.0269      2.00000
     35       2.1011      2.00000
     36       2.2087      2.00000
     37       2.2657      2.00000
     38       2.3417      2.00000
     39       2.3588      2.00000
     40       2.4670      2.00000
     41       2.4810      2.00000
     42       2.6379      2.00000
     43       2.6813      2.00000
     44       2.7604      2.00000
     45       2.7828      2.00000
     46       2.8398      2.00000
     47       2.9711      2.00000
     48       3.0041      2.00000
     49       3.1232      2.00000
     50       3.1670      2.00000
     51       3.2075      2.00000
     52       3.3107      2.00000
     53       3.3883      2.00000
     54       3.6227      2.00000
     55       3.7907      2.00000
     56       3.8360      2.00000
     57       4.6366      2.00000
     58       5.1717      2.00000
     59       5.7170      2.05070
     60       6.1230      0.28322
     61       6.4592     -0.00921
     62       6.9310     -0.00000
     63       7.2629     -0.00000
     64       7.9377     -0.00000
     65       8.9155     -0.00000
     66       8.9788     -0.00000
     67       9.2619     -0.00000
     68       9.9793     -0.00000
     69      10.0611     -0.00000
     70      11.6929      0.00000
     71      11.9473      0.00000
     72      12.1181      0.00000
     73      12.2348      0.00000
     74      12.4850      0.00000
     75      12.9188      0.00000
     76      13.3181      0.00000
     77      13.6078      0.00000
     78      13.8283      0.00000
     79      13.9909      0.00000
     80      14.5054      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.162  -0.000  -0.000  -0.003  -0.000  -5.373  -0.000  -0.000
 -0.000  -5.160  -0.003   0.001  -0.001  -0.000  -5.371  -0.003
 -0.000  -0.003  -5.163  -0.001  -0.006  -0.000  -0.003  -5.374
 -0.003   0.001  -0.001  -5.169   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.149  -0.000  -0.001  -0.006
 -5.373  -0.000  -0.000  -0.003  -0.000  -5.566  -0.000  -0.000
 -0.000  -5.371  -0.003   0.001  -0.001  -0.000  -5.564  -0.003
 -0.000  -0.003  -5.374  -0.001  -0.006  -0.000  -0.003  -5.567
 -0.003   0.001  -0.001  -5.379   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.360  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.019   0.011   0.030   0.010   0.009  -1.166  -0.014  -0.026  -0.043  -0.015   0.020  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.070  -0.264   0.020  -0.197  -0.014  -1.058   0.220  -0.011   0.156  -0.074   0.015  -0.004   0.170   0.008   0.001
  0.030  -0.264   2.645   0.008  -0.306  -0.026   0.220  -0.691  -0.018   0.226   0.085  -0.036  -0.111  -0.021  -0.003   0.006
  0.010   0.020   0.008   2.939   0.015  -0.043  -0.011  -0.018  -1.101  -0.007  -0.020   0.004   0.010   0.003  -0.016  -0.000
  0.009  -0.197  -0.306   0.015   3.076  -0.015   0.156   0.226  -0.007  -1.015  -0.139   0.066   0.048  -0.005   0.019   0.008
 -1.166  -0.014  -0.026  -0.043  -0.015   1.221   0.017   0.022   0.072   0.019  -0.018   0.005   0.012  -0.006  -0.289  -0.000
 -0.014  -1.058   0.220  -0.011   0.156   0.017   0.979  -0.178   0.003  -0.116   0.068  -0.018  -0.006  -0.135  -0.007   0.000
 -0.026   0.220  -0.691  -0.018   0.226   0.022  -0.178   0.675   0.025  -0.157  -0.093   0.047   0.084   0.025   0.002  -0.002
 -0.043  -0.011  -0.018  -1.101  -0.007   0.072   0.003   0.025   1.161   0.001   0.020  -0.006  -0.009  -0.002   0.008   0.000
 -0.015   0.156   0.226  -0.007  -1.015   0.019  -0.116  -0.157   0.001   0.908   0.130  -0.072  -0.051   0.007  -0.015  -0.000
  0.020  -0.074   0.085  -0.020  -0.139  -0.018   0.068  -0.093   0.020   0.130   2.092  -0.311  -0.040   0.001   0.002   0.002
 -0.005   0.015  -0.036   0.004   0.066   0.005  -0.018   0.047  -0.006  -0.072  -0.311   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.004  -0.111   0.010   0.048   0.012  -0.006   0.084  -0.009  -0.051  -0.040   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.170  -0.021   0.003  -0.005  -0.006  -0.135   0.025  -0.002   0.007   0.001  -0.004   0.007   0.126   0.002  -0.000
  0.357   0.008  -0.003  -0.016   0.019  -0.289  -0.007   0.002   0.008  -0.015   0.002   0.002  -0.001   0.002   0.157   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.67: real time    1.68
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.81107   469.81107   469.81107
  Ewald   -2481.34007 -3163.93680 -2719.24282   -23.59800   -19.41912    12.84591
  Hartree   840.77518   352.27886   671.63719   -15.05477     0.27470     7.92349
  E(xc)    -540.94686  -541.61392  -541.10124    -0.03036    -0.13000     0.01826
  Local    -577.77878   591.13957  -171.14764    37.99405    17.89995   -20.23265
  n-local  -103.05702   -99.81923  -101.78402     0.31277     0.71091    -0.28673
  augment   723.72140   723.18331   723.29153     0.06923     0.15147    -0.06664
  Kinetic  1668.87086  1669.21412  1668.54851     0.26321     0.57251    -0.20344
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.05578     0.25698     0.01258    -0.04389     0.06043    -0.00179
  in kB       0.34754     1.60116     0.07837    -0.27344     0.37654    -0.01117
  external pressure =        0.68 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.14
      direct lattice vectors                 reciprocal lattice vectors
     4.103862724 -0.098322964  0.141374953     0.243301088  0.100729122  0.080846864
    -3.907445645  8.720955713  0.893436816     0.002667004  0.115559045  0.002950248
    -2.325939501 -0.129130649  7.160584866    -0.005136379 -0.016407218  0.137689091

  length of vectors
     4.107474107  9.597990902  7.529983062     0.275459599  0.115627461  0.138758297


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.327E+01 -.155E+03 0.271E+02   0.344E+01 0.157E+03 -.275E+02   -.169E+00 -.283E+01 0.317E+00   -.100E-04 -.683E-04 -.435E-05
   0.323E+01 0.155E+03 -.272E+02   -.340E+01 -.157E+03 0.275E+02   0.170E+00 0.283E+01 -.317E+00   0.139E-04 0.586E-04 0.302E-05
   0.304E+01 0.144E+03 0.698E+01   -.314E+01 -.146E+03 -.680E+01   0.104E+00 0.129E+01 -.178E+00   -.282E-04 0.335E-03 0.985E-04
   -.424E-02 -.653E+02 -.407E+02   0.215E-01 0.649E+02 0.416E+02   -.167E-01 0.345E+00 -.842E+00   -.744E-04 -.222E-03 -.499E-04
   0.589E+01 0.963E+02 -.957E+02   -.597E+01 -.976E+02 0.971E+02   0.808E-01 0.126E+01 -.141E+01   0.962E-04 0.237E-03 -.173E-03
   -.700E-01 0.222E-01 -.275E-01   0.696E-01 -.223E-01 0.276E-01   0.156E-02 -.741E-03 0.356E-03   0.149E-05 -.103E-05 0.252E-05
   -.586E+01 -.964E+02 0.958E+02   0.594E+01 0.976E+02 -.972E+02   -.810E-01 -.126E+01 0.140E+01   -.972E-04 -.239E-03 0.175E-03
   -.297E+01 -.144E+03 -.698E+01   0.308E+01 0.146E+03 0.679E+01   -.106E+00 -.129E+01 0.178E+00   0.352E-04 -.339E-03 -.101E-03
   0.319E-01 0.653E+02 0.407E+02   -.487E-01 -.649E+02 -.415E+02   0.157E-01 -.344E+00 0.844E+00   0.797E-04 0.228E-03 0.478E-04
   0.916E-02 0.162E-01 -.632E-02   -.899E-02 -.161E-01 0.599E-02   -.177E-03 -.327E-03 0.453E-03   -.263E-06 -.531E-06 -.272E-07
   0.898E+00 0.932E+01 -.278E+02   -.904E+00 -.915E+01 0.277E+02   0.516E-02 -.172E+00 0.890E-01   -.156E-05 0.105E-04 -.490E-04
   -.912E+00 -.933E+01 0.278E+02   0.917E+00 0.915E+01 -.277E+02   -.505E-02 0.173E+00 -.890E-01   0.355E-06 -.814E-05 0.486E-04
   0.839E+00 -.837E+01 -.209E+02   -.799E+00 0.842E+01 0.206E+02   -.416E-01 -.478E-01 0.269E+00   0.577E-05 -.147E-04 -.150E-04
   -.155E+01 -.615E+02 0.353E+01   0.155E+01 0.615E+02 -.380E+01   0.879E-03 0.732E-01 0.272E+00   -.114E-05 -.788E-04 0.268E-04
   -.839E+00 0.841E+01 0.209E+02   0.799E+00 -.845E+01 -.206E+02   0.416E-01 0.473E-01 -.268E+00   -.753E-05 0.148E-04 0.150E-04
   0.154E+01 0.615E+02 -.350E+01   -.154E+01 -.614E+02 0.377E+01   -.713E-03 -.732E-01 -.272E+00   0.111E-05 0.774E-04 -.261E-04
 -----------------------------------------------------------------------------------------------
   0.450E-03 -.212E-03 0.841E-04   -.184E-13 0.355E-13 0.355E-13   -.558E-03 0.128E-02 0.244E-03   0.134E-04 -.981E-05 -.157E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07054      6.32092      7.88150        -0.001183     -0.016237     -0.009044
     -2.90837      8.10380      4.50845         0.001842      0.016187      0.009164
     -1.04595      1.14051      4.61946        -0.000848      0.001107      0.004771
     -2.90059      5.21498      2.39746         0.000559      0.000185     -0.012563
      1.19302      1.82675      0.30531         0.004498     -0.000033     -0.007357
     -3.08780      2.90113      5.67757         0.001221     -0.000876      0.000446
     -0.93851      4.00594      4.03082        -0.004828      0.000937      0.005831
     -1.02534      4.56331      6.87697        -0.000323     -0.001340     -0.004757
      3.15519      0.61732      1.93815        -0.001075      0.000148      0.013851
     -5.04126      7.26166      6.12423        -0.000002     -0.000298      0.000097
     -0.84665      3.61963      1.25230        -0.000420      0.001774      0.000061
      1.10109      2.21288      3.08371         0.000373     -0.001210     -0.000191
     -0.84559      6.67195      3.43758        -0.002191     -0.004395      0.004480
     -2.99567      5.49297      5.13409        -0.000329      0.005612     -0.001824
     -2.80734      7.88172      1.79179         0.002190      0.004266     -0.004505
      0.92426      0.21088      6.36241         0.000515     -0.005827      0.001541
 -----------------------------------------------------------------------------------
    total drift:                               -0.000095      0.001054      0.000326


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87670775 eV

  energy  without entropy=      -49.88196564  energy(sigma->0) =      -49.87846038
 
 d Force = 0.1072209E-03[ 0.822E-04, 0.132E-03]  d Energy = 0.6718632E-03-0.565E-03
 d Force =-0.7680539E+00[-0.770E+00,-0.766E+00]  d Ewald  = 0.4819496E+01-0.559E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.75: real time    0.75
     LOOP+:  cpu time  164.60: real time  165.17


----------------------------------------- Iteration    6(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.76: real time   16.81
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.49: real time   18.54

 eigenvalue-minimisa     EDDAV:  cpu time   17.60: real time   17.72
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.34: real time   19.47

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.1919729E-04  (-0.5461504E-05)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0524759 magnetization 

 Broyden mixing:
  rms(total) = 0.98204E-03    rms(broyden)= 0.98202E-03
  rms(prec ) = 0.11005E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2920
  1.9497  1.1558  0.7706

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1872.01068406
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46115704
  PAW double counting   =      9486.92921814    -9414.89195753
  entropy T*S    EENTRO =         0.00495368
  eigenvalues    EBANDS =      -338.68710463
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy        EDDAV:  cpu time   17.62: real time   17.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.33: real time   19.39

 eigenvalue-minimisations  :  7920
 total energy-change (2. order) : 0.5543862E-03  (-0.1705134E-03)
 number of electron     120.0000053     EDDAV:  cpu time   19.35: real time   19.46
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.07: real time   21.19

 eigenvalue-minimisations  :  9008
 total energy-change (2. order) : 0.7834387E-06  (-0.4000578E-06)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0529268 magnetization 

 Broyden mixing:
  rms(total) = 0.40027E-03    rms(broyden)= 0.40025E-03
  rms(prec ) = 0.43870E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3827
  2.2060  0.8382  1.1891  1.2976

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99544451
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46086816
  PAW double counting   =      9486.88919601    -9414.85358757
  entropy T*S    EENTRO =         0.00495370
  eigenvalues    EBANDS =      -338.70040238
  atomic energy  EATOM  =      9754.20957531
  --------------------------------------------     EDDAV:  cpu time   17.76: real time   17.81
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.49: real time   19.56

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.5091081E-04  (-0.1015203E-04)
 number of electron     120.0000053 magnetization 
 augment     EDDAV:  cpu time   17.96: real time   18.07
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.69: real time   19.82

 eigenvalue-minimisations  :  8160
 total energy-change (2. order) : 0.2114302E-06  (-0.4969984E-07)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0528938 magnetization 

 Broyden mixing:
  rms(total) = 0.16746E-03    rms(broyden)= 0.16743E-03
  rms(prec ) = 0.18236E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4623
  2.3799  1.8751  1.2622  0.8042  0.9898

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99832345
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46119274
  PAW double counting   =      9486.84379141    -9414.80931297
  entropy T*S    EENTRO =         0.00495467
  eigenvalues    EBANDS =      -338.69671876
  atomic energy  EATOM  =      9754.20957531
  --------------------     EDDAV:  cpu time   17.90: real time   17.98
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.67: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.60: real time   19.85

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) : 0.1886946E-04  (-0.4189531E-05)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0467     EDDAV:  cpu time   13.54: real time   13.65
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.57: real time   13.69

 eigenvalue-minimisations  :  5328
 total energy-change (2. order) :-0.3927016E-07  (-0.8355903E-08)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0528938 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99649647
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46109188
  PAW double counting   =      9486.86269028    -9414.82891670
  entropy T*S    EENTRO =         0.00495470
  eigenvalues    EBANDS =      -338.69774009
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87779992 eV

  energy without entropy =      -49.88275461  energy(sigma->0) =      -49.87945148
--------------------------- Iteration    6(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.85: real time   18.99
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.59: real time   21.37

 eigenvalue-minimisations  :  8688
 total energy-change (2. order) :-0.7198396E-06  (-0.4777230E-06)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0469200 magnetization 

 Broyden mixing:
  rms(total) = 0.54247E-03    rms(broyden)= 0.54242E-03
  rms(prec ) = 0.55878E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4038
  2.0475  1.7856  0.8909  0.8909

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       470.05135839
  Ewald energy   TEWEN  =     -8365.63219871
  -1/2 Hartree   DENC   =     -1864.26453239
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.50582329
  PAW double counting   =      9488.82211111    -9416.79051623
  entropy T*S    EENTRO =         0.00531933
  eigenvalues    EBANDS =      -336.78367798
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87673789 eV

  energy without entropy =      -49.88205722  energy(sigma->0) =      -49.87851100
.00000
     24       1.1843      2.00000
     25       1.2178      2.00000
     26       1.2820      2.00000
     27       1.3110      2.00000
     28       1.5810      2.00000
     29       1.6504      2.00000
     30       1.7128      2.00000
     31       1.7388      2.00000
     32       1.7909      2.00000
     33       1.9211      2.00000
     34       1.9393      2.00000
     35       2.1488      2.00000
     36       2.1724      2.00000
     37       2.2758      2.00000
     38       2.3108      2.00000
     39       2.4467      2.00000
     40       2.5295      2.00000
     41       2.5860      2.00000
     42       2.6379      2.00000
     43       2.7248      2.00000
     44       2.8675      2.00000
     45       2.8729      2.00000
     46       2.9053      2.00000
     47       2.9997      2.00000
     48       3.0437      2.00000
     49       3.1011      2.00000
     50       3.1310      2.00000
     51       3.3286      2.00000
     52       3.3826      2.00000
     53       3.4998      2.00000
     54       3.5833      2.00000
     55       3.8939      2.00000
     56       4.0710      2.00000
     57       4.2287      2.00000
     58       4.2333      2.00000
     59       4.9503      2.00000
     60       5.6207      2.01661
     61       6.2809     -0.06880
     62       8.1953     -0.00000
     63       8.2950     -0.00000
     64       8.3213     -0.00000
     65       8.9375     -0.00000
     66       9.6686     -0.00000
     67      10.3842     -0.00000
     68      10.7391     -0.00000
     69      11.4806      0.00000
     70      11.7700      0.00000
     71      11.8246      0.00000
     72      12.0597      0.00000
     73      12.2692      0.00000
     74      12.3471      0.00000
     75      12.5140      0.00000
     76      12.7916      0.00000
     77      13.2936      0.00000
     78      13.6643      0.00000
     79      13.7880      0.00000
     80      14.6408      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.6738      2.00000
      9      -0.5761      2.00000
     10      -0.2728      2.00000
     11       0.2590      2.00000
     12       0.2800      2.00000
     13       0.3868      2.00000
     14       0.4639      2.00000
     15       0.5964      2.00000
     16       0.6110      2.00000
     17       0.7299      2.00000
     18       0.8221      2.00000
     19       0.9093      2.00000
     20       0.9336      2.00000
     21       0.9717      2.00000
     22       1.0982      2.00000
     23       1.1160      2.00000
     24       1.1951      2.00000
     25       1.2456      2.00000
     26       1.3486      2.00000
     27       1.3803      2.00000
     28       1.4943      2.00000
     29       1.6275      2.00000
     30       1.6607      2.00000
     31       1.7521      2.00000
     32       1.8214      2.00000
     33       1.8552      2.00000
     34       2.0099      2.00000
     35       2.0343      2.00000
     36       2.1718      2.00000
     37       2.2534      2.00000
     38       2.3602      2.00000
     39       2.4544      2.00000
     40       2.5027      2.00000
     41       2.5638      2.00000
     42       2.6051      2.00000
     43       2.6838      2.00000
     44       2.7338      2.00000
     45       2.8030      2.00000
     46       2.8205      2.00000
     47       2.9232      2.00000
     48       3.0517      2.00000
     49       3.1131      2.00000
     50       3.1955      2.00000
     51       3.2378      2.00000
     52       3.2708      2.00000
     53       3.4170      2.00000
     54       3.6155      2.00000
     55       3.7131      2.00000
     56       3.8494      2.00000
     57       4.0967      2.00000
     58       4.5835      2.00000
     59       5.5110      2.00196
     60       6.2769     -0.06961
     61       6.7943     -0.00000
     62       7.1012     -0.00000
     63       7.7168     -0.00000
     64       8.1675     -0.00000
     65       8.5852     -0.00000
     66       8.7192     -0.00000
     67       9.6392     -0.00000
     68      10.2940     -0.00000
     69      10.6166     -0.00000
     70      10.6624     -0.00000
     71      11.1321     -0.00000
     72      11.7219      0.00000
     73      12.5534      0.00000
     74      12.9440      0.00000
     75      13.2281      0.00000
     76      13.2930      0.00000
     77      13.4790      0.00000
     78      13.8590      0.00000
     79      14.4486      0.00000
     80      14.7123      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0335      2.00000
      9      -0.4157      2.00000
     10      -0.1247      2.00000
     11       0.3188      2.00000
     12       0.4219      2.00000
     13       0.4976      2.00000
     14       0.5850      2.00000
     15       0.6448      2.00000
     16       0.7333      2.00000
     17       0.8376      2.00000
     18       0.9139      2.00000
     19       0.9946      2.00000
     20       1.0400      2.00000
     21       1.0743      2.00000
     22       1.1723      2.00000
     23       1.2283      2.00000
     24       1.2797      2.00000
     25       1.3077      2.00000
     26       1.3570      2.00000
     27       1.4542      2.00000
     28       1.5517      2.00000
     29       1.6056      2.00000
     30       1.7253      2.00000
     31       1.8128      2.00000
     32       1.8580      2.00000
     33       1.9584      2.00000
     34       2.0157      2.00000
     35       2.1099      2.00000
     36       2.1233      2.00000
     37       2.1884      2.00000
     38       2.2532      2.00000
     39       2.3060      2.00000
     40       2.4007      2.00000
     41       2.4886      2.00000
     42       2.5375      2.00000
     43       2.6542      2.00000
     44       2.6935      2.00000
     45       2.7436      2.00000
     46       2.7952      2.00000
     47       2.8393      2.00000
     48       2.9241      2.00000
     49       3.0134      2.00000
     50       3.0989      2.00000
     51       3.1430      2.00000
     52       3.2358      2.00000
     53       3.3627      2.00000
     54       3.4573      2.00000
     55       3.5812      2.00000
     56       3.8206      2.00000
     57       4.6142      2.00000
     58       5.0075      2.00000
     59       5.4452      2.00039
     60       5.7872      2.06930
     61       6.4812     -0.00510
     62       6.8371     -0.00000
     63       6.9847     -0.00000
     64       7.5266     -0.00000
     65       7.9962     -0.00000
     66       8.3457     -0.00000
     67       8.6880     -0.00000
     68       9.4207     -0.00000
     69       9.8056     -0.00000
     70      10.3540     -0.00000
     71      10.4758     -0.00000
     72      10.7877     -0.00000
     73      11.4105     -0.00000
     74      12.1896      0.00000
     75      13.1264      0.00000
     76      13.6908      0.00000
     77      13.7569      0.00000
     78      13.8767      0.00000
     79      14.2883      0.00000
     80      14.6923      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3922      2.00000
      9      -0.1117      2.00000
     10       0.0912      2.00000
     11       0.1614      2.00000
     12       0.4831      2.00000
     13       0.5086      2.00000
     14       0.5581      2.00000
     15       0.6333      2.00000
     16       0.8257      2.00000
     17       0.9161      2.00000
     18       0.9319      2.00000
     19       1.1114      2.00000
     20       1.1675      2.00000
     21       1.1847      2.00000
     22       1.2644      2.00000
     23       1.3708      2.00000
     24       1.3906      2.00000
     25       1.4046      2.00000
     26       1.4775      2.00000
     27       1.5157      2.00000
     28       1.6443      2.00000
     29       1.6830      2.00000
     30       1.7330      2.00000
     31       1.8031      2.00000
     32       1.9103      2.00000
     33       1.9556      2.00000
     34       2.0622      2.00000
     35       2.1463      2.00000
     36       2.1632      2.00000
     37       2.1835      2.00000
     38       2.2797      2.00000
     39       2.3138      2.00000
     40       2.3713      2.00000
     41       2.4622      2.00000
     42       2.4806      2.00000
     43       2.5485      2.00000
     44       2.6395      2.00000
     45       2.6716      2.00000
     46       2.7582      2.00000
     47       2.8023      2.00000
     48       2.8407      2.00000
     49       2.9236      2.00000
     50       3.0604      2.00000
     51       3.1637      2.00000
     52       3.2693      2.00000
     53       3.3643      2.00000
     54       3.5558      2.00000
     55       3.6393      2.00000
     56       3.8235      2.00000
     57       4.1485      2.00000
     58       4.2970      2.00000
     59       5.1363      2.00000
     60       5.8648      1.96270
     61       6.0509      0.72861
     62       6.1752      0.02827
     63       6.8180     -0.00000
     64       7.0783     -0.00000
     65       7.6695     -0.00000
     66       8.2156     -0.00000
     67       8.4844     -0.00000
     68       8.8326     -0.00000
     69       9.4859     -0.00000
     70       9.7767     -0.00000
     71      10.5270     -0.00000
     72      10.9671     -0.00000
     73      11.1398     -0.00000
     74      11.7859      0.00000
     75      12.2816      0.00000
     76      12.7634      0.00000
     77      13.4108      0.00000
     78      13.7801      0.00000
     79      13.9613      0.00000
     80      14.6478      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6105      2.00000
      7     -39.6073      2.00000
      8      -0.4468      2.00000
      9      -0.1810      2.00000
     10       0.0367      2.00000
     11       0.1356      2.00000
     12       0.5030      2.00000
     13       0.5251      2.00000
     14       0.7024      2.00000
     15       0.7396      2.00000
     16       0.8722      2.00000
     17       0.9123      2.00000
     18       0.9887      2.00000
     19       1.0675      2.00000
     20       1.0868      2.00000
     21       1.2400      2.00000
     22       1.2760      2.00000
     23       1.3275      2.00000
     24       1.3850      2.00000
     25       1.3934      2.00000
     26       1.4466      2.00000
     27       1.4929      2.00000
     28       1.6667      2.00000
     29       1.6996      2.00000
     30       1.7453      2.00000
     31       1.8026      2.00000
     32       1.8785      2.00000
     33       1.9050      2.00000
     34       2.0433      2.00000
     35       2.0823      2.00000
     36       2.1455      2.00000
     37       2.1617      2.00000
     38       2.2310      2.00000
     39       2.3389      2.00000
     40       2.4413      2.00000
     41       2.4637      2.00000
     42       2.5415      2.00000
     43       2.5826      2.00000
     44       2.6268      2.00000
     45       2.6757      2.00000
     46       2.7330      2.00000
     47       2.8091      2.00000
     48       2.8485      2.00000
     49       2.9094      2.00000
     50       3.0986      2.00000
     51       3.1811      2.00000
     52       3.2069      2.00000
     53       3.5193      2.00000
     54       3.5526      2.00000
     55       3.7422      2.00000
     56       4.2019      2.00000
     57       4.3925      2.00000
     58       4.5661      2.00000
     59       4.7237      2.00000
     60       5.1858      2.00000
     61       5.6187      2.01608
     62       6.0844      0.47323
     63       6.1009      0.36302
     64       7.1029     -0.00000
     65       8.2652     -0.00000
     66       8.3984     -0.00000
     67       8.9083     -0.00000
     68       9.1557     -0.00000
     69       9.2538     -0.00000
     70       9.9624     -0.00000
     71      10.4660     -0.00000
     72      10.5983     -0.00000
     73      11.3547     -0.00000
     74      11.9229      0.00000
     75      12.5765      0.00000
     76      13.1595      0.00000
     77      13.5188      0.00000
     78      13.8803      0.00000
     79      14.1337      0.00000
     80      14.4509      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.1640      2.00000
      9      -0.4823      2.00000
     10       0.0240      2.00000
     11       0.1460      2.00000
     12       0.5188      2.00000
     13       0.5872      2.00000
     14       0.6479      2.00000
     15       0.6869      2.00000
     16       0.8196      2.00000
     17       0.8343      2.00000
     18       0.8695      2.00000
     19       0.9577      2.00000
     20       1.0865      2.00000
     21       1.1275      2.00000
     22       1.1842      2.00000
     23       1.2069      2.00000
     24       1.3035      2.00000
     25       1.3378      2.00000
     26       1.3943      2.00000
     27       1.4444      2.00000
     28       1.4763      2.00000
     29       1.6363      2.00000
     30       1.7369      2.00000
     31       1.7623      2.00000
     32       1.8394      2.00000
     33       1.9011      2.00000
     34       1.9608      2.00000
     35       2.0569      2.00000
     36       2.1591      2.00000
     37       2.2260      2.00000
     38       2.2952      2.00000
     39       2.3619      2.00000
     40       2.4403      2.00000
     41       2.5182      2.00000
     42       2.5570      2.00000
     43       2.6032      2.00000
     44       2.6581      2.00000
     45       2.7682      2.00000
     46       2.7919      2.00000
     47       2.8752      2.00000
     48       2.8883      2.00000
     49       3.0466      2.00000
     50       3.0904      2.00000
     51       3.1368      2.00000
     52       3.2095      2.00000
     53       3.3189      2.00000
     54       3.5307      2.00000
     55       3.7001      2.00000
     56       4.1007      2.00000
     57       4.4554      2.00000
     58       4.8482      2.00000
     59       5.4945      2.00134
     60       5.7017      2.04766
     61       6.0817      0.49278
     62       6.3632     -0.03502
     63       6.9678     -0.00000
     64       7.1859     -0.00000
     65       7.5821     -0.00000
     66       8.2225     -0.00000
     67       8.9827     -0.00000
     68       9.2541     -0.00000
     69      10.2377     -0.00000
     70      11.0384     -0.00000
     71      11.3164     -0.00000
     72      11.6845      0.00000
     73      12.1236      0.00000
     74      12.3690      0.00000
     75      12.7905      0.00000
     76      13.4236      0.00000
     77      13.6326      0.00000
     78      13.9026      0.00000
     79      14.2885      0.00000
     80      14.4119      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.7580      2.00000
      9      -0.6373      2.00000
     10       0.0397      2.00000
     11       0.1781      2.00000
     12       0.3293      2.00000
     13       0.3366      2.00000
     14       0.4041      2.00000
     15       0.6242      2.00000
     16       0.6419      2.00000
     17       0.7318      2.00000
     18       0.8110      2.00000
     19       0.8835      2.00000
     20       0.9069      2.00000
     21       1.0587      2.00000
     22       1.0637      2.00000
     23       1.1496      2.00000
     24       1.2158      2.00000
     25       1.2759      2.00000
     26       1.3008      2.00000
     27       1.3309      2.00000
     28       1.4613      2.00000
     29       1.6626      2.00000
     30       1.6814      2.00000
     31       1.7691      2.00000
     32       1.8297      2.00000
     33       1.9021      2.00000
     34       1.9227      2.00000
     35       2.0776      2.00000
     36       2.1545      2.00000
     37       2.2844      2.00000
     38       2.3327      2.00000
     39       2.3814      2.00000
     40       2.4851      2.00000
     41       2.5198      2.00000
     42       2.6178      2.00000
     43       2.7388      2.00000
     44       2.7956      2.00000
     45       2.8251      2.00000
     46       2.8709      2.00000
     47       2.9334      2.00000
     48       3.0239      2.00000
     49       3.0912      2.00000
     50       3.1251      2.00000
     51       3.2082      2.00000
     52       3.2659      2.00000
     53       3.4345      2.00000
     54       3.6782      2.00000
     55       3.7921      2.00000
     56       3.9476      2.00000
     57       4.1219      2.00000
     58       4.8573      2.00000
     59       5.0467      2.00000
     60       5.5624      2.00585
     61       6.7223     -0.00001
     62       7.1769     -0.00000
     63       7.7277     -0.00000
     64       8.2267     -0.00000
     65       8.7032     -0.00000
     66       8.9793     -0.00000
     67       9.3897     -0.00000
     68      10.1920     -0.00000
     69      10.7689     -0.00000
     70      10.8277     -0.00000
     71      11.4120     -0.00000
     72      12.4732      0.00000
     73      12.8942      0.00000
     74      13.0729      0.00000
     75      13.2691      0.00000
     76      13.4416      0.00000
     77      13.8079      0.00000
     78      13.8770      0.00000
     79      14.3086      0.00000
     80      14.4212      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6561      2.00000
      6     -39.6160      2.00000
      7     -39.6014      2.00000
      8      -1.8655      2.00000
      9      -0.8996      2.00000
     10      -0.0321      2.00000
     11       0.1598      2.00000
     12       0.2095      2.00000
     13       0.2945      2.00000
     14       0.4257      2.00000
     15       0.5790      2.00000
     16       0.6090      2.00000
     17       0.6206      2.00000
     18       0.6862      2.00000
     19       0.7709      2.00000
     20       0.8408      2.00000
     21       0.9334      2.00000
     22       1.0357      2.00000
     23       1.0774      2.00000
     24       1.2474      2.00000
     25       1.2955      2.00000
     26       1.3928      2.00000
     27       1.4171      2.00000
     28       1.5887      2.00000
     29       1.6052      2.00000
     30       1.6478      2.00000
     31       1.7031      2.00000
     32       1.8035      2.00000
     33       1.8833      2.00000
     34       1.9424      2.00000
     35       2.1659      2.00000
     36       2.2227      2.00000
     37       2.2320      2.00000
     38       2.2925      2.00000
     39       2.4417      2.00000
     40       2.4987      2.00000
     41       2.6203      2.00000
     42       2.6599      2.00000
     43       2.6670      2.00000
     44       2.8173      2.00000
     45       2.8388      2.00000
     46       2.8840      2.00000
     47       2.9059      2.00000
     48       3.0588      2.00000
     49       3.1075      2.00000
     50       3.1469      2.00000
     51       3.3204      2.00000
     52       3.3646      2.00000
     53       3.4558      2.00000
     54       3.6323      2.00000
     55       3.9581      2.00000
     56       4.2217      2.00000
     57       4.2301      2.00000
     58       4.3471      2.00000
     59       4.8914      2.00000
     60       6.2832     -0.06827
     61       6.4920     -0.00409
     62       6.9266     -0.00000
     63       7.1985     -0.00000
     64       8.8152     -0.00000
     65       9.5513     -0.00000
     66       9.7081     -0.00000
     67       9.8967     -0.00000
     68      10.9898     -0.00000
     69      11.1966     -0.00000
     70      11.2859     -0.00000
     71      11.4568     -0.00000
     72      12.3099      0.00000
     73      12.6906      0.00000
     74      13.1324      0.00000
     75      13.3942      0.00000
     76      13.5270      0.00000
     77      13.8225      0.00000
     78      13.9906      0.00000
     79      14.2725      0.00000
     80      14.5300      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5851      2.00000
      9      -0.8192      2.00000
     10      -0.1488      2.00000
     11       0.2254      2.00000
     12       0.2622      2.00000
     13       0.4235      2.00000
     14       0.5002      2.00000
     15       0.5723      2.00000
     16       0.6178      2.00000
     17       0.6863      2.00000
     18       0.7841      2.00000
     19       0.8859      2.00000
     20       0.9556      2.00000
     21       0.9805      2.00000
     22       1.0501      2.00000
     23       1.1528      2.00000
     24       1.2123      2.00000
     25       1.2930      2.00000
     26       1.3674      2.00000
     27       1.3986      2.00000
     28       1.5280      2.00000
     29       1.5629      2.00000
     30       1.6180      2.00000
     31       1.6703      2.00000
     32       1.8875      2.00000
     33       1.9668      2.00000
     34       2.0183      2.00000
     35       2.1584      2.00000
     36       2.1847      2.00000
     37       2.2662      2.00000
     38       2.3148      2.00000
     39       2.3636      2.00000
     40       2.3869      2.00000
     41       2.4469      2.00000
     42       2.6534      2.00000
     43       2.6693      2.00000
     44       2.7717      2.00000
     45       2.7900      2.00000
     46       2.8392      2.00000
     47       2.9812      2.00000
     48       3.0093      2.00000
     49       3.1155      2.00000
     50       3.1766      2.00000
     51       3.1866      2.00000
     52       3.3051      2.00000
     53       3.4571      2.00000
     54       3.6467      2.00000
     55       3.6992      2.00000
     56       3.8886      2.00000
     57       4.4350      2.00000
     58       4.9027      2.00000
     59       5.5404      2.00374
     60       5.8581      1.98065
     61       6.5063     -0.00302
     62       7.0402     -0.00000
     63       7.5206     -0.00000
     64       8.0695     -0.00000
     65       8.3134     -0.00000
     66       8.9194     -0.00000
     67       9.4005     -0.00000
     68       9.6670     -0.00000
     69      10.4614     -0.00000
     70      12.0045      0.00000
     71      12.3058      0.00000
     72      12.3951      0.00000
     73      12.5557      0.00000
     74      12.7185      0.00000
     75      12.8502      0.00000
     76      13.3232      0.00000
     77      13.6018      0.00000
     78      13.9209      0.00000
     79      14.0033      0.00000
     80      14.4160      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0293      2.00000
      9      -0.3881      2.00000
     10      -0.1353      2.00000
     11       0.3189      2.00000
     12       0.3959      2.00000
     13       0.4937      2.00000
     14       0.5303      2.00000
     15       0.6704      2.00000
     16       0.7788      2.00000
     17       0.8120      2.00000
     18       0.9288      2.00000
     19       0.9396      2.00000
     20       1.0244      2.00000
     21       1.0711      2.00000
     22       1.1608      2.00000
     23       1.2147      2.00000
     24       1.3032      2.00000
     25       1.3513      2.00000
     26       1.4093      2.00000
     27       1.4749      2.00000
     28       1.5450      2.00000
     29       1.6118      2.00000
     30       1.7508      2.00000
     31       1.8225      2.00000
     32       1.8849      2.00000
     33       1.9221      2.00000
     34       1.9871      2.00000
     35       2.0401      2.00000
     36       2.0814      2.00000
     37       2.1350      2.00000
     38       2.2129      2.00000
     39       2.3108      2.00000
     40       2.4636      2.00000
     41       2.5002      2.00000
     42       2.5614      2.00000
     43       2.6216      2.00000
     44       2.6818      2.00000
     45       2.7945      2.00000
     46       2.8204      2.00000
     47       2.8729      2.00000
     48       2.9201      2.00000
     49       2.9718      2.00000
     50       3.0821      2.00000
     51       3.1703      2.00000
     52       3.2456      2.00000
     53       3.2822      2.00000
     54       3.4682      2.00000
     55       3.6069      2.00000
     56       4.0067      2.00000
     57       4.4748      2.00000
     58       5.2558      2.00000
     59       5.6782      2.03703
     60       5.9004      1.83091
     61       6.2909     -0.06610
     62       6.5222     -0.00212
     63       6.6971     -0.00002
     64       7.4406     -0.00000
     65       7.6871     -0.00000
     66       8.1036     -0.00000
     67       9.1341     -0.00000
     68       9.8244     -0.00000
     69       9.9474     -0.00000
     70      10.1206     -0.00000
     71      11.0962     -0.00000
     72      11.1855     -0.00000
     73      11.7662      0.00000
     74      12.0733      0.00000
     75      12.4192      0.00000
     76      12.7718      0.00000
     77      13.2903      0.00000
     78      13.6689      0.00000
     79      14.0651      0.00000
     80      14.4161      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3928      2.00000
      9      -0.0894      2.00000
     10       0.0696      2.00000
     11       0.1430      2.00000
     12       0.4138      2.00000
     13       0.5157      2.00000
     14       0.6038      2.00000
     15       0.7119      2.00000
     16       0.8484      2.00000
     17       0.9023      2.00000
     18       0.9113      2.00000
     19       1.0944      2.00000
     20       1.1500      2.00000
     21       1.1804      2.00000
     22       1.2437      2.00000
     23       1.3135      2.00000
     24       1.3991      2.00000
     25       1.4596      2.00000
     26       1.4908      2.00000
     27       1.5951      2.00000
     28       1.6658      2.00000
     29       1.7098      2.00000
     30       1.7293      2.00000
     31       1.8332      2.00000
     32       1.8780      2.00000
     33       1.9577      2.00000
     34       1.9797      2.00000
     35       2.0715      2.00000
     36       2.1203      2.00000
     37       2.2331      2.00000
     38       2.2993      2.00000
     39       2.3463      2.00000
     40       2.3867      2.00000
     41       2.4543      2.00000
     42       2.5107      2.00000
     43       2.5244      2.00000
     44       2.6244      2.00000
     45       2.6898      2.00000
     46       2.7300      2.00000
     47       2.7928      2.00000
     48       2.8437      2.00000
     49       2.8709      2.00000
     50       3.0676      2.00000
     51       3.1393      2.00000
     52       3.2684      2.00000
     53       3.3243      2.00000
     54       3.4803      2.00000
     55       3.5875      2.00000
     56       3.7322      2.00000
     57       4.4113      2.00000
     58       4.7751      2.00000
     59       5.1260      2.00000
     60       5.6607      2.02976
     61       5.9451      1.57603
     62       6.2088     -0.03889
     63       6.5170     -0.00239
     64       6.7341     -0.00001
     65       7.7432     -0.00000
     66       8.0514     -0.00000
     67       8.5128     -0.00000
     68       9.3053     -0.00000
     69       9.7446     -0.00000
     70      10.1782     -0.00000
     71      10.8571     -0.00000
     72      10.9711     -0.00000
     73      11.3759     -0.00000
     74      11.5899      0.00000
     75      12.1278      0.00000
     76      12.4615      0.00000
     77      13.1257      0.00000
     78      13.4196      0.00000
     79      14.0163      0.00000
     80      14.2838      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4437      2.00000
      9      -0.1570      2.00000
     10      -0.0394      2.00000
     11       0.1344      2.00000
     12       0.5462      2.00000
     13       0.6627      2.00000
     14       0.6981      2.00000
     15       0.7277      2.00000
     16       0.7964      2.00000
     17       0.8806      2.00000
     18       0.9523      2.00000
     19       1.0813      2.00000
     20       1.1051      2.00000
     21       1.1367      2.00000
     22       1.2589      2.00000
     23       1.3350      2.00000
     24       1.3655      2.00000
     25       1.3893      2.00000
     26       1.5407      2.00000
     27       1.5844      2.00000
     28       1.6662      2.00000
     29       1.7125      2.00000
     30       1.7611      2.00000
     31       1.8138      2.00000
     32       1.8548      2.00000
     33       1.9593      2.00000
     34       2.0005      2.00000
     35       2.0904      2.00000
     36       2.1598      2.00000
     37       2.2394      2.00000
     38       2.3249      2.00000
     39       2.3381      2.00000
     40       2.4462      2.00000
     41       2.4667      2.00000
     42       2.4928      2.00000
     43       2.5190      2.00000
     44       2.5624      2.00000
     45       2.5792      2.00000
     46       2.7219      2.00000
     47       2.7579      2.00000
     48       2.8108      2.00000
     49       2.8807      2.00000
     50       3.1251      2.00000
     51       3.1625      2.00000
     52       3.2864      2.00000
     53       3.5089      2.00000
     54       3.5722      2.00000
     55       3.6446      2.00000
     56       4.0681      2.00000
     57       4.4076      2.00000
     58       4.5158      2.00000
     59       5.0066      2.00000
     60       5.1464      2.00000
     61       5.8154      2.05319
     62       6.1404      0.15110
     63       6.5081     -0.00290
     64       7.1556     -0.00000
     65       7.2566     -0.00000
     66       7.7663     -0.00000
     67       8.3262     -0.00000
     68       9.5464     -0.00000
     69       9.9795     -0.00000
     70      10.5785     -0.00000
     71      11.0017     -0.00000
     72      11.2562     -0.00000
     73      11.7965      0.00000
     74      12.0328      0.00000
     75      12.2618      0.00000
     76      12.8773      0.00000
     77      13.1403      0.00000
     78      13.3225      0.00000
     79      14.1340      0.00000
     80      14.3271      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6562      2.00000
      5     -39.6562      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.2098      2.00000
      9      -0.3466      2.00000
     10      -0.0785      2.00000
     11       0.1042      2.00000
     12       0.5471      2.00000
     13       0.5715      2.00000
     14       0.6356      2.00000
     15       0.7124      2.00000
     16       0.8430      2.00000
     17       0.8758      2.00000
     18       0.9422      2.00000
     19       1.0028      2.00000
     20       1.0808      2.00000
     21       1.1082      2.00000
     22       1.1717      2.00000
     23       1.2432      2.00000
     24       1.2608      2.00000
     25       1.3180      2.00000
     26       1.3846      2.00000
     27       1.3914      2.00000
     28       1.5497      2.00000
     29       1.6742      2.00000
     30       1.6984      2.00000
     31       1.8131      2.00000
     32       1.8824      2.00000
     33       1.9288      2.00000
     34       2.0051      2.00000
     35       2.0205      2.00000
     36       2.0538      2.00000
     37       2.1591      2.00000
     38       2.2041      2.00000
     39       2.3974      2.00000
     40       2.4382      2.00000
     41       2.4907      2.00000
     42       2.5386      2.00000
     43       2.6148      2.00000
     44       2.6602      2.00000
     45       2.7666      2.00000
     46       2.8528      2.00000
     47       2.8828      2.00000
     48       2.9189      2.00000
     49       3.0202      2.00000
     50       3.0531      2.00000
     51       3.1016      2.00000
     52       3.1896      2.00000
     53       3.2824      2.00000
     54       3.5269      2.00000
     55       3.6519      2.00000
     56       4.0040      2.00000
     57       4.3339      2.00000
     58       5.3225      2.00001
     59       5.4761      2.00086
     60       5.6640      2.03107
     61       5.8397      2.02050
     62       6.6321     -0.00013
     63       6.9552     -0.00000
     64       7.4539     -0.00000
     65       7.8303     -0.00000
     66       7.8966     -0.00000
     67       8.4562     -0.00000
     68       9.7019     -0.00000
     69       9.9881     -0.00000
     70      10.4209     -0.00000
     71      11.7468      0.00000
     72      12.2441      0.00000
     73      12.5561      0.00000
     74      12.8830      0.00000
     75      13.0839      0.00000
     76      13.3924      0.00000
     77      13.4540      0.00000
     78      13.5437      0.00000
     79      13.8811      0.00000
     80      14.1059      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.7452      2.00000
      9      -0.6727      2.00000
     10       0.0106      2.00000
     11       0.2308      2.00000
     12       0.3194      2.00000
     13       0.3393      2.00000
     14       0.4034      2.00000
     15       0.6254      2.00000
     16       0.6379      2.00000
     17       0.7165      2.00000
     18       0.8091      2.00000
     19       0.8744      2.00000
     20       0.9550      2.00000
     21       1.0162      2.00000
     22       1.0847      2.00000
     23       1.1514      2.00000
     24       1.2261      2.00000
     25       1.2584      2.00000
     26       1.3329      2.00000
     27       1.3973      2.00000
     28       1.4381      2.00000
     29       1.6031      2.00000
     30       1.6787      2.00000
     31       1.7230      2.00000
     32       1.8238      2.00000
     33       1.8765      2.00000
     34       1.9548      2.00000
     35       2.1305      2.00000
     36       2.1934      2.00000
     37       2.2553      2.00000
     38       2.3089      2.00000
     39       2.3964      2.00000
     40       2.5130      2.00000
     41       2.5361      2.00000
     42       2.6090      2.00000
     43       2.7216      2.00000
     44       2.7583      2.00000
     45       2.8006      2.00000
     46       2.8818      2.00000
     47       2.9637      2.00000
     48       2.9959      2.00000
     49       3.1178      2.00000
     50       3.1575      2.00000
     51       3.2080      2.00000
     52       3.2863      2.00000
     53       3.4317      2.00000
     54       3.6290      2.00000
     55       3.7792      2.00000
     56       3.9513      2.00000
     57       4.1559      2.00000
     58       4.5088      2.00000
     59       5.2770      2.00000
     60       6.0579      0.67225
     61       6.5837     -0.00048
     62       6.9943     -0.00000
     63       7.7942     -0.00000
     64       8.0697     -0.00000
     65       8.3307     -0.00000
     66       8.7179     -0.00000
     67       9.6816     -0.00000
     68      10.4552     -0.00000
     69      10.9108     -0.00000
     70      11.0337     -0.00000
     71      11.3046     -0.00000
     72      12.5023      0.00000
     73      12.8789      0.00000
     74      13.0375      0.00000
     75      13.1623      0.00000
     76      13.5002      0.00000
     77      13.5855      0.00000
     78      13.9419      0.00000
     79      14.3482      0.00000
     80      14.4792      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6160      2.00000
      7     -39.6013      2.00000
      8      -1.8580      2.00000
      9      -0.9354      2.00000
     10       0.0371      2.00000
     11       0.1679      2.00000
     12       0.2051      2.00000
     13       0.2889      2.00000
     14       0.4188      2.00000
     15       0.5912      2.00000
     16       0.6103      2.00000
     17       0.6206      2.00000
     18       0.6872      2.00000
     19       0.7209      2.00000
     20       0.8394      2.00000
     21       0.9470      2.00000
     22       1.0853      2.00000
     23       1.1001      2.00000
     24       1.1980      2.00000
     25       1.2678      2.00000
     26       1.3498      2.00000
     27       1.3627      2.00000
     28       1.5513      2.00000
     29       1.6486      2.00000
     30       1.6902      2.00000
     31       1.7081      2.00000
     32       1.8002      2.00000
     33       1.8665      2.00000
     34       1.8956      2.00000
     35       2.1231      2.00000
     36       2.2158      2.00000
     37       2.2522      2.00000
     38       2.3855      2.00000
     39       2.4326      2.00000
     40       2.5259      2.00000
     41       2.5904      2.00000
     42       2.6204      2.00000
     43       2.6771      2.00000
     44       2.8468      2.00000
     45       2.8677      2.00000
     46       2.9836      2.00000
     47       3.0450      2.00000
     48       3.0544      2.00000
     49       3.1259      2.00000
     50       3.1893      2.00000
     51       3.2757      2.00000
     52       3.3131      2.00000
     53       3.5401      2.00000
     54       3.6470      2.00000
     55       3.9173      2.00000
     56       3.9391      2.00000
     57       4.2149      2.00000
     58       4.4055      2.00000
     59       5.0025      2.00000
     60       5.5998      2.01171
     61       6.2245     -0.05605
     62       7.7504     -0.00000
     63       8.1750     -0.00000
     64       8.6137     -0.00000
     65       8.6450     -0.00000
     66       9.7733     -0.00000
     67      10.3938     -0.00000
     68      10.5940     -0.00000
     69      10.8101     -0.00000
     70      11.2537     -0.00000
     71      11.7402      0.00000
     72      12.4672      0.00000
     73      12.7268      0.00000
     74      12.8238      0.00000
     75      13.1426      0.00000
     76      13.2483      0.00000
     77      13.6866      0.00000
     78      14.4271      0.00000
     79      14.4912      0.00000
     80      14.5561      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.6568      2.00000
      9      -0.6539      2.00000
     10      -0.2091      2.00000
     11       0.2441      2.00000
     12       0.2900      2.00000
     13       0.4325      2.00000
     14       0.4384      2.00000
     15       0.5866      2.00000
     16       0.6310      2.00000
     17       0.7236      2.00000
     18       0.7788      2.00000
     19       0.8727      2.00000
     20       0.9366      2.00000
     21       0.9813      2.00000
     22       1.0783      2.00000
     23       1.1419      2.00000
     24       1.1746      2.00000
     25       1.2500      2.00000
     26       1.3614      2.00000
     27       1.3754      2.00000
     28       1.4942      2.00000
     29       1.6226      2.00000
     30       1.6442      2.00000
     31       1.7423      2.00000
     32       1.8759      2.00000
     33       1.8968      2.00000
     34       1.9972      2.00000
     35       2.0772      2.00000
     36       2.1782      2.00000
     37       2.2396      2.00000
     38       2.3195      2.00000
     39       2.4005      2.00000
     40       2.4737      2.00000
     41       2.5651      2.00000
     42       2.6323      2.00000
     43       2.7212      2.00000
     44       2.7645      2.00000
     45       2.8194      2.00000
     46       2.8510      2.00000
     47       2.9301      2.00000
     48       3.0201      2.00000
     49       3.0777      2.00000
     50       3.1412      2.00000
     51       3.2249      2.00000
     52       3.2581      2.00000
     53       3.5453      2.00000
     54       3.6707      2.00000
     55       3.7427      2.00000
     56       3.8105      2.00000
     57       4.0990      2.00000
     58       4.9378      2.00000
     59       5.0779      2.00000
     60       5.8228      2.04529
     61       6.8068     -0.00000
     62       7.1835     -0.00000
     63       7.7737     -0.00000
     64       8.6833     -0.00000
     65       8.9429     -0.00000
     66       9.1255     -0.00000
     67       9.4567     -0.00000
     68       9.6228     -0.00000
     69       9.7887     -0.00000
     70      10.9399     -0.00000
     71      11.5629      0.00000
     72      12.1337      0.00000
     73      12.3261      0.00000
     74      12.4760      0.00000
     75      13.1579      0.00000
     76      13.2991      0.00000
     77      13.6882      0.00000
     78      14.0810      0.00000
     79      14.3977      0.00000
     80      14.5341      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0767      2.00000
      9      -0.2701      2.00000
     10      -0.2105      2.00000
     11       0.2591      2.00000
     12       0.4249      2.00000
     13       0.5225      2.00000
     14       0.5578      2.00000
     15       0.6772      2.00000
     16       0.7886      2.00000
     17       0.8336      2.00000
     18       0.9106      2.00000
     19       1.0027      2.00000
     20       1.0914      2.00000
     21       1.0992      2.00000
     22       1.1463      2.00000
     23       1.1973      2.00000
     24       1.2298      2.00000
     25       1.2753      2.00000
     26       1.3563      2.00000
     27       1.4936      2.00000
     28       1.5805      2.00000
     29       1.6368      2.00000
     30       1.6627      2.00000
     31       1.8192      2.00000
     32       1.8399      2.00000
     33       1.9962      2.00000
     34       2.0049      2.00000
     35       2.0655      2.00000
     36       2.1683      2.00000
     37       2.2045      2.00000
     38       2.2456      2.00000
     39       2.2985      2.00000
     40       2.3726      2.00000
     41       2.5084      2.00000
     42       2.6279      2.00000
     43       2.6544      2.00000
     44       2.7202      2.00000
     45       2.7588      2.00000
     46       2.8023      2.00000
     47       2.8366      2.00000
     48       2.9311      2.00000
     49       2.9517      2.00000
     50       3.0944      2.00000
     51       3.1189      2.00000
     52       3.2075      2.00000
     53       3.4120      2.00000
     54       3.4941      2.00000
     55       3.5864      2.00000
     56       3.6854      2.00000
     57       4.4231      2.00000
     58       4.7959      2.00000
     59       5.4317      2.00027
     60       5.9913      1.22676
     61       6.6014     -0.00030
     62       6.9401     -0.00000
     63       7.0319     -0.00000
     64       7.3304     -0.00000
     65       8.2603     -0.00000
     66       8.5039     -0.00000
     67       8.8265     -0.00000
     68       9.3357     -0.00000
     69       9.9709     -0.00000
     70      10.1793     -0.00000
     71      10.3264     -0.00000
     72      11.0790     -0.00000
     73      11.7730      0.00000
     74      12.1341      0.00000
     75      12.3033      0.00000
     76      12.9705      0.00000
     77      13.7688      0.00000
     78      13.8208      0.00000
     79      14.0891      0.00000
     80      14.2193      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3674      2.00000
      9      -0.1447      2.00000
     10       0.0802      2.00000
     11       0.1446      2.00000
     12       0.4551      2.00000
     13       0.5636      2.00000
     14       0.6361      2.00000
     15       0.6857      2.00000
     16       0.7322      2.00000
     17       0.8903      2.00000
     18       0.9461      2.00000
     19       1.0638      2.00000
     20       1.1476      2.00000
     21       1.1789      2.00000
     22       1.2137      2.00000
     23       1.3231      2.00000
     24       1.3780      2.00000
     25       1.4702      2.00000
     26       1.5348      2.00000
     27       1.5657      2.00000
     28       1.6341      2.00000
     29       1.7130      2.00000
     30       1.7805      2.00000
     31       1.8462      2.00000
     32       1.9076      2.00000
     33       1.9410      2.00000
     34       2.0864      2.00000
     35       2.1468      2.00000
     36       2.1536      2.00000
     37       2.2493      2.00000
     38       2.2604      2.00000
     39       2.3331      2.00000
     40       2.3734      2.00000
     41       2.4167      2.00000
     42       2.5102      2.00000
     43       2.5595      2.00000
     44       2.5950      2.00000
     45       2.6148      2.00000
     46       2.6880      2.00000
     47       2.7730      2.00000
     48       2.7926      2.00000
     49       2.8775      2.00000
     50       3.0701      2.00000
     51       3.1295      2.00000
     52       3.1851      2.00000
     53       3.3651      2.00000
     54       3.5330      2.00000
     55       3.6266      2.00000
     56       3.8838      2.00000
     57       4.3676      2.00000
     58       4.7229      2.00000
     59       5.1000      2.00000
     60       5.6346      2.02060
     61       5.6911      2.04278
     62       6.1969     -0.02027
     63       6.6453     -0.00009
     64       7.0054     -0.00000
     65       7.5016     -0.00000
     66       7.8704     -0.00000
     67       8.9900     -0.00000
     68       9.5993     -0.00000
     69       9.8871     -0.00000
     70      10.0843     -0.00000
     71      10.4712     -0.00000
     72      10.7322     -0.00000
     73      11.0879     -0.00000
     74      11.6159      0.00000
     75      12.2467      0.00000
     76      12.9575      0.00000
     77      13.1836      0.00000
     78      13.8980      0.00000
     79      13.9173      0.00000
     80      14.0554      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6105      2.00000
      7     -39.6073      2.00000
      8      -0.4520      2.00000
      9      -0.1491      2.00000
     10      -0.0139      2.00000
     11       0.1295      2.00000
     12       0.5351      2.00000
     13       0.5735      2.00000
     14       0.6434      2.00000
     15       0.7543      2.00000
     16       0.8607      2.00000
     17       0.9500      2.00000
     18       0.9967      2.00000
     19       1.0513      2.00000
     20       1.1069      2.00000
     21       1.1671      2.00000
     22       1.2216      2.00000
     23       1.3152      2.00000
     24       1.3913      2.00000
     25       1.4707      2.00000
     26       1.5026      2.00000
     27       1.5479      2.00000
     28       1.5986      2.00000
     29       1.7121      2.00000
     30       1.7539      2.00000
     31       1.7934      2.00000
     32       1.8959      2.00000
     33       1.9576      2.00000
     34       1.9691      2.00000
     35       2.0537      2.00000
     36       2.1801      2.00000
     37       2.1901      2.00000
     38       2.2873      2.00000
     39       2.3294      2.00000
     40       2.3555      2.00000
     41       2.4736      2.00000
     42       2.4950      2.00000
     43       2.5849      2.00000
     44       2.6152      2.00000
     45       2.6772      2.00000
     46       2.7686      2.00000
     47       2.7996      2.00000
     48       2.8132      2.00000
     49       2.8998      2.00000
     50       3.1220      2.00000
     51       3.1770      2.00000
     52       3.2300      2.00000
     53       3.5153      2.00000
     54       3.5723      2.00000
     55       3.6841      2.00000
     56       3.8790      2.00000
     57       4.4427      2.00000
     58       4.5797      2.00000
     59       4.9777      2.00000
     60       5.4250      2.00022
     61       5.7541      2.06840
     62       5.8196      2.04897
     63       6.7130     -0.00001
     64       6.9905     -0.00000
     65       7.2901     -0.00000
     66       7.5131     -0.00000
     67       9.0230     -0.00000
     68       9.4031     -0.00000
     69      10.1092     -0.00000
     70      10.5183     -0.00000
     71      10.8591     -0.00000
     72      11.2100     -0.00000
     73      11.4043     -0.00000
     74      11.6810      0.00000
     75      12.0177      0.00000
     76      12.6527      0.00000
     77      13.4660      0.00000
     78      13.5620      0.00000
     79      14.0925      0.00000
     80      14.1471      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.1388      2.00000
      9      -0.5386      2.00000
     10       0.1036      2.00000
     11       0.1258      2.00000
     12       0.5060      2.00000
     13       0.5840      2.00000
     14       0.6506      2.00000
     15       0.6873      2.00000
     16       0.7975      2.00000
     17       0.8207      2.00000
     18       0.8448      2.00000
     19       0.9352      2.00000
     20       1.0937      2.00000
     21       1.1339      2.00000
     22       1.1743      2.00000
     23       1.2022      2.00000
     24       1.3161      2.00000
     25       1.3622      2.00000
     26       1.4022      2.00000
     27       1.4434      2.00000
     28       1.5100      2.00000
     29       1.5675      2.00000
     30       1.6914      2.00000
     31       1.7374      2.00000
     32       1.8764      2.00000
     33       1.9167      2.00000
     34       1.9727      2.00000
     35       2.1173      2.00000
     36       2.1633      2.00000
     37       2.2421      2.00000
     38       2.2856      2.00000
     39       2.3501      2.00000
     40       2.4259      2.00000
     41       2.5161      2.00000
     42       2.5710      2.00000
     43       2.6607      2.00000
     44       2.6937      2.00000
     45       2.7626      2.00000
     46       2.8063      2.00000
     47       2.8512      2.00000
     48       2.9088      2.00000
     49       2.9605      2.00000
     50       3.0781      2.00000
     51       3.1209      2.00000
     52       3.2051      2.00000
     53       3.3459      2.00000
     54       3.5113      2.00000
     55       3.7016      2.00000
     56       4.1223      2.00000
     57       4.6048      2.00000
     58       4.9817      2.00000
     59       5.3585      2.00003
     60       5.6883      2.04152
     61       6.0286      0.91359
     62       6.2166     -0.04840
     63       6.6982     -0.00002
     64       7.1765     -0.00000
     65       7.6205     -0.00000
     66       8.7408     -0.00000
     67       8.9048     -0.00000
     68       9.3550     -0.00000
     69      10.4044     -0.00000
     70      10.6079     -0.00000
     71      11.0146     -0.00000
     72      11.6234      0.00000
     73      12.2195      0.00000
     74      12.4991      0.00000
     75      12.8199      0.00000
     76      13.3561      0.00000
     77      13.5870      0.00000
     78      14.0738      0.00000
     79      14.2312      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6153      2.00000
      7     -39.6021      2.00000
      8      -1.6599      2.00000
      9      -0.8918      2.00000
     10       0.1391      2.00000
     11       0.2600      2.00000
     12       0.3087      2.00000
     13       0.3209      2.00000
     14       0.3984      2.00000
     15       0.6209      2.00000
     16       0.6420      2.00000
     17       0.6648      2.00000
     18       0.7501      2.00000
     19       0.8524      2.00000
     20       0.9337      2.00000
     21       1.0537      2.00000
     22       1.1223      2.00000
     23       1.1775      2.00000
     24       1.2164      2.00000
     25       1.2740      2.00000
     26       1.3761      2.00000
     27       1.3902      2.00000
     28       1.4715      2.00000
     29       1.5914      2.00000
     30       1.6913      2.00000
     31       1.7399      2.00000
     32       1.8444      2.00000
     33       1.8535      2.00000
     34       2.0307      2.00000
     35       2.1558      2.00000
     36       2.1905      2.00000
     37       2.2330      2.00000
     38       2.2629      2.00000
     39       2.3687      2.00000
     40       2.4445      2.00000
     41       2.5148      2.00000
     42       2.6235      2.00000
     43       2.6549      2.00000
     44       2.7769      2.00000
     45       2.8275      2.00000
     46       2.8769      2.00000
     47       2.9527      2.00000
     48       2.9849      2.00000
     49       3.1127      2.00000
     50       3.1858      2.00000
     51       3.2060      2.00000
     52       3.2936      2.00000
     53       3.4758      2.00000
     54       3.7158      2.00000
     55       3.9395      2.00000
     56       3.9628      2.00000
     57       4.1960      2.00000
     58       4.5997      2.00000
     59       5.0553      2.00000
     60       5.6532      2.02690
     61       6.7412     -0.00000
     62       7.3426     -0.00000
     63       7.6623     -0.00000
     64       8.2604     -0.00000
     65       8.4682     -0.00000
     66       8.5654     -0.00000
     67       9.0085     -0.00000
     68       9.2260     -0.00000
     69      11.3335     -0.00000
     70      12.1207      0.00000
     71      12.4192      0.00000
     72      12.6610      0.00000
     73      12.8340      0.00000
     74      13.0994      0.00000
     75      13.2842      0.00000
     76      13.5419      0.00000
     77      13.7071      0.00000
     78      13.7778      0.00000
     79      13.8832      0.00000
     80      14.0623      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6561      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6621      2.00000
      9      -0.7788      2.00000
     10      -0.6036      2.00000
     11       0.0752      2.00000
     12       0.2617      2.00000
     13       0.3751      2.00000
     14       0.3919      2.00000
     15       0.5485      2.00000
     16       0.6285      2.00000
     17       0.7392      2.00000
     18       0.7404      2.00000
     19       0.8314      2.00000
     20       0.8876      2.00000
     21       0.9210      2.00000
     22       1.0455      2.00000
     23       1.0988      2.00000
     24       1.1320      2.00000
     25       1.2317      2.00000
     26       1.3239      2.00000
     27       1.3526      2.00000
     28       1.4880      2.00000
     29       1.6052      2.00000
     30       1.6148      2.00000
     31       1.7800      2.00000
     32       1.9024      2.00000
     33       1.9063      2.00000
     34       2.0927      2.00000
     35       2.1470      2.00000
     36       2.2256      2.00000
     37       2.3484      2.00000
     38       2.4399      2.00000
     39       2.4628      2.00000
     40       2.4704      2.00000
     41       2.5387      2.00000
     42       2.6163      2.00000
     43       2.6806      2.00000
     44       2.6854      2.00000
     45       2.8151      2.00000
     46       2.8708      2.00000
     47       2.9546      2.00000
     48       2.9769      2.00000
     49       3.1493      2.00000
     50       3.2308      2.00000
     51       3.3177      2.00000
     52       3.3378      2.00000
     53       3.4407      2.00000
     54       3.5324      2.00000
     55       3.7159      2.00000
     56       3.7511      2.00000
     57       3.9897      2.00000
     58       4.1989      2.00000
     59       5.8118      2.05645
     60       7.2623     -0.00000
     61       7.4197     -0.00000
     62       7.4613     -0.00000
     63       7.7533     -0.00000
     64       8.2364     -0.00000
     65       8.7241     -0.00000
     66       9.2662     -0.00000
     67       9.8793     -0.00000
     68      10.4833     -0.00000
     69      10.6547     -0.00000
     70      11.2158     -0.00000
     71      11.2595     -0.00000
     72      11.4293     -0.00000
     73      12.4042      0.00000
     74      12.9819      0.00000
     75      13.1432      0.00000
     76      13.1831      0.00000
     77      13.4106      0.00000
     78      13.8853      0.00000
     79      13.9018      0.00000
     80      14.5901      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.3942      2.00000
      9      -0.7721      2.00000
     10      -0.4111      2.00000
     11       0.1156      2.00000
     12       0.1906      2.00000
     13       0.4701      2.00000
     14       0.5358      2.00000
     15       0.6250      2.00000
     16       0.6430      2.00000
     17       0.7432      2.00000
     18       0.7582      2.00000
     19       0.9165      2.00000
     20       0.9548      2.00000
     21       0.9893      2.00000
     22       0.9943      2.00000
     23       1.1011      2.00000
     24       1.1655      2.00000
     25       1.1872      2.00000
     26       1.3306      2.00000
     27       1.3531      2.00000
     28       1.5591      2.00000
     29       1.6148      2.00000
     30       1.7292      2.00000
     31       1.7683      2.00000
     32       1.8261      2.00000
     33       1.9628      2.00000
     34       2.0199      2.00000
     35       2.0502      2.00000
     36       2.1501      2.00000
     37       2.2783      2.00000
     38       2.2796      2.00000
     39       2.3612      2.00000
     40       2.5153      2.00000
     41       2.5548      2.00000
     42       2.6421      2.00000
     43       2.7067      2.00000
     44       2.7414      2.00000
     45       2.7996      2.00000
     46       2.8933      2.00000
     47       2.9217      2.00000
     48       3.0106      2.00000
     49       3.1065      2.00000
     50       3.1555      2.00000
     51       3.2207      2.00000
     52       3.3481      2.00000
     53       3.3705      2.00000
     54       3.5646      2.00000
     55       3.7833      2.00000
     56       3.8415      2.00000
     57       3.9872      2.00000
     58       4.2312      2.00000
     59       6.2102     -0.04066
     60       6.5035     -0.00321
     61       7.3872     -0.00000
     62       7.7761     -0.00000
     63       7.8877     -0.00000
     64       8.3532     -0.00000
     65       8.5538     -0.00000
     66       8.8076     -0.00000
     67       8.8337     -0.00000
     68       9.6430     -0.00000
     69      10.2076     -0.00000
     70      10.6288     -0.00000
     71      10.7670     -0.00000
     72      11.1145     -0.00000
     73      11.9469      0.00000
     74      12.2970      0.00000
     75      12.6497      0.00000
     76      13.1660      0.00000
     77      13.6124      0.00000
     78      13.9335      0.00000
     79      14.2717      0.00000
     80      14.6635      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9142      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.9072      2.00000
      9      -0.3845      2.00000
     10      -0.0413      2.00000
     11       0.0620      2.00000
     12       0.4417      2.00000
     13       0.4958      2.00000
     14       0.5958      2.00000
     15       0.6939      2.00000
     16       0.7527      2.00000
     17       0.7587      2.00000
     18       0.8255      2.00000
     19       0.8883      2.00000
     20       1.0002      2.00000
     21       1.0357      2.00000
     22       1.1571      2.00000
     23       1.2345      2.00000
     24       1.2884      2.00000
     25       1.3759      2.00000
     26       1.4168      2.00000
     27       1.4925      2.00000
     28       1.6123      2.00000
     29       1.6565      2.00000
     30       1.7156      2.00000
     31       1.7884      2.00000
     32       1.8393      2.00000
     33       1.9254      2.00000
     34       1.9798      2.00000
     35       2.0296      2.00000
     36       2.0743      2.00000
     37       2.2180      2.00000
     38       2.2534      2.00000
     39       2.2885      2.00000
     40       2.4045      2.00000
     41       2.5538      2.00000
     42       2.6243      2.00000
     43       2.6342      2.00000
     44       2.7077      2.00000
     45       2.7393      2.00000
     46       2.8324      2.00000
     47       2.8662      2.00000
     48       2.9037      2.00000
     49       2.9343      2.00000
     50       3.0342      2.00000
     51       3.1342      2.00000
     52       3.3050      2.00000
     53       3.3403      2.00000
     54       3.4875      2.00000
     55       3.5705      2.00000
     56       3.7498      2.00000
     57       4.4149      2.00000
     58       5.2202      2.00000
     59       5.2883      2.00000
     60       5.9528      1.52354
     61       7.0544     -0.00000
     62       7.1841     -0.00000
     63       7.3382     -0.00000
     64       7.4438     -0.00000
     65       8.1622     -0.00000
     66       8.4026     -0.00000
     67       8.6156     -0.00000
     68       9.0539     -0.00000
     69       9.3292     -0.00000
     70       9.8274     -0.00000
     71      10.7638     -0.00000
     72      10.9702     -0.00000
     73      11.2748     -0.00000
     74      11.5999      0.00000
     75      12.5142      0.00000
     76      13.0889      0.00000
     77      13.4143      0.00000
     78      13.6655      0.00000
     79      13.9100      0.00000
     80      14.1232      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3910      2.00000
      9      -0.0772      2.00000
     10       0.1018      2.00000
     11       0.1574      2.00000
     12       0.4554      2.00000
     13       0.4922      2.00000
     14       0.5507      2.00000
     15       0.6715      2.00000
     16       0.7824      2.00000
     17       0.9089      2.00000
     18       0.9408      2.00000
     19       1.1133      2.00000
     20       1.1675      2.00000
     21       1.2136      2.00000
     22       1.2367      2.00000
     23       1.3287      2.00000
     24       1.4112      2.00000
     25       1.4417      2.00000
     26       1.4857      2.00000
     27       1.5618      2.00000
     28       1.6193      2.00000
     29       1.6614      2.00000
     30       1.7159      2.00000
     31       1.8292      2.00000
     32       1.9123      2.00000
     33       1.9611      2.00000
     34       2.0337      2.00000
     35       2.1060      2.00000
     36       2.1195      2.00000
     37       2.2009      2.00000
     38       2.2980      2.00000
     39       2.3119      2.00000
     40       2.3550      2.00000
     41       2.4677      2.00000
     42       2.5290      2.00000
     43       2.5536      2.00000
     44       2.6256      2.00000
     45       2.6962      2.00000
     46       2.7375      2.00000
     47       2.8149      2.00000
     48       2.8359      2.00000
     49       2.9511      2.00000
     50       3.0706      2.00000
     51       3.1806      2.00000
     52       3.2837      2.00000
     53       3.3399      2.00000
     54       3.4689      2.00000
     55       3.5886      2.00000
     56       3.7877      2.00000
     57       4.0884      2.00000
     58       4.2971      2.00000
     59       5.4685      2.00071
     60       5.8587      1.97929
     61       6.0220      0.96915
     62       6.3361     -0.04716
     63       6.7264     -0.00001
     64       7.1230     -0.00000
     65       7.6044     -0.00000
     66       8.0666     -0.00000
     67       8.3323     -0.00000
     68       8.9216     -0.00000
     69       9.4360     -0.00000
     70      10.2336     -0.00000
     71      10.4170     -0.00000
     72      10.5625     -0.00000
     73      11.3140     -0.00000
     74      11.8257      0.00000
     75      12.1615      0.00000
     76      12.9373      0.00000
     77      13.0142      0.00000
     78      13.6811      0.00000
     79      13.9970      0.00000
     80      14.6409      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4473      2.00000
      9      -0.1498      2.00000
     10       0.0477      2.00000
     11       0.1325      2.00000
     12       0.4967      2.00000
     13       0.5312      2.00000
     14       0.6304      2.00000
     15       0.7136      2.00000
     16       0.8955      2.00000
     17       0.9205      2.00000
     18       1.0337      2.00000
     19       1.0761      2.00000
     20       1.1362      2.00000
     21       1.1793      2.00000
     22       1.2518      2.00000
     23       1.2974      2.00000
     24       1.3910      2.00000
     25       1.4120      2.00000
     26       1.4588      2.00000
     27       1.5071      2.00000
     28       1.6578      2.00000
     29       1.6947      2.00000
     30       1.7412      2.00000
     31       1.7942      2.00000
     32       1.8732      2.00000
     33       1.9134      2.00000
     34       2.0069      2.00000
     35       2.0783      2.00000
     36       2.1859      2.00000
     37       2.2107      2.00000
     38       2.2840      2.00000
     39       2.3497      2.00000
     40       2.3702      2.00000
     41       2.4507      2.00000
     42       2.5032      2.00000
     43       2.5516      2.00000
     44       2.6539      2.00000
     45       2.6886      2.00000
     46       2.7408      2.00000
     47       2.8125      2.00000
     48       2.8824      2.00000
     49       2.9049      2.00000
     50       3.1097      2.00000
     51       3.1647      2.00000
     52       3.2511      2.00000
     53       3.4753      2.00000
     54       3.5639      2.00000
     55       3.6016      2.00000
     56       3.8966      2.00000
     57       4.3408      2.00000
     58       4.8584      2.00000
     59       5.0028      2.00000
     60       5.2067      2.00000
     61       5.6135      2.01478
     62       5.8098      2.05801
     63       6.7196     -0.00001
     64       7.1797     -0.00000
     65       7.6943     -0.00000
     66       7.8769     -0.00000
     67       8.7039     -0.00000
     68       9.4964     -0.00000
     69       9.9546     -0.00000
     70      10.1255     -0.00000
     71      10.4701     -0.00000
     72      10.5869     -0.00000
     73      11.1441     -0.00000
     74      11.8172      0.00000
     75      12.2334      0.00000
     76      12.7396      0.00000
     77      13.5887      0.00000
     78      14.0619      0.00000
     79      14.3167      0.00000
     80      14.4663      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0803      2.00000
      9      -0.3699      2.00000
     10      -0.1176      2.00000
     11       0.2709      2.00000
     12       0.4374      2.00000
     13       0.5106      2.00000
     14       0.5425      2.00000
     15       0.6799      2.00000
     16       0.7847      2.00000
     17       0.8405      2.00000
     18       0.9176      2.00000
     19       0.9482      2.00000
     20       1.0505      2.00000
     21       1.0816      2.00000
     22       1.1700      2.00000
     23       1.2175      2.00000
     24       1.2670      2.00000
     25       1.3226      2.00000
     26       1.4123      2.00000
     27       1.4533      2.00000
     28       1.5504      2.00000
     29       1.6100      2.00000
     30       1.7712      2.00000
     31       1.8195      2.00000
     32       1.8441      2.00000
     33       1.9652      2.00000
     34       1.9953      2.00000
     35       2.0541      2.00000
     36       2.1056      2.00000
     37       2.1332      2.00000
     38       2.2072      2.00000
     39       2.3299      2.00000
     40       2.4296      2.00000
     41       2.4706      2.00000
     42       2.6041      2.00000
     43       2.6503      2.00000
     44       2.6830      2.00000
     45       2.7867      2.00000
     46       2.8168      2.00000
     47       2.8711      2.00000
     48       2.9229      2.00000
     49       2.9757      2.00000
     50       3.0823      2.00000
     51       3.1295      2.00000
     52       3.2363      2.00000
     53       3.3196      2.00000
     54       3.4501      2.00000
     55       3.6253      2.00000
     56       4.0760      2.00000
     57       4.2770      2.00000
     58       5.1819      2.00000
     59       5.7488      2.06699
     60       5.9253      1.70094
     61       6.1145      0.28154
     62       6.5373     -0.00150
     63       6.7786     -0.00000
     64       7.2679     -0.00000
     65       7.6558     -0.00000
     66       8.3367     -0.00000
     67       9.3816     -0.00000
     68       9.5311     -0.00000
     69       9.9845     -0.00000
     70      10.1747     -0.00000
     71      11.3418     -0.00000
     72      11.4971      0.00000
     73      11.7703      0.00000
     74      11.9536      0.00000
     75      12.2831      0.00000
     76      12.7689      0.00000
     77      13.3544      0.00000
     78      13.6844      0.00000
     79      13.8273      0.00000
     80      14.2070      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5568      2.00000
      9      -0.5540      2.00000
     10      -0.4679      2.00000
     11       0.2089      2.00000
     12       0.2344      2.00000
     13       0.4718      2.00000
     14       0.5221      2.00000
     15       0.5934      2.00000
     16       0.6304      2.00000
     17       0.6727      2.00000
     18       0.7944      2.00000
     19       0.9006      2.00000
     20       0.9463      2.00000
     21       0.9868      2.00000
     22       1.0116      2.00000
     23       1.1178      2.00000
     24       1.1602      2.00000
     25       1.2163      2.00000
     26       1.3852      2.00000
     27       1.4326      2.00000
     28       1.4862      2.00000
     29       1.5974      2.00000
     30       1.6400      2.00000
     31       1.7269      2.00000
     32       1.8704      2.00000
     33       1.8882      2.00000
     34       2.0147      2.00000
     35       2.1050      2.00000
     36       2.2059      2.00000
     37       2.2686      2.00000
     38       2.3447      2.00000
     39       2.3700      2.00000
     40       2.4397      2.00000
     41       2.5866      2.00000
     42       2.6747      2.00000
     43       2.7037      2.00000
     44       2.7362      2.00000
     45       2.8401      2.00000
     46       2.8647      2.00000
     47       2.8926      2.00000
     48       3.0560      2.00000
     49       3.0904      2.00000
     50       3.1677      2.00000
     51       3.2266      2.00000
     52       3.2331      2.00000
     53       3.5307      2.00000
     54       3.6164      2.00000
     55       3.6521      2.00000
     56       3.8490      2.00000
     57       3.9758      2.00000
     58       4.4830      2.00000
     59       5.6744      2.03538
     60       6.3642     -0.03461
     61       6.7051     -0.00001
     62       7.5063     -0.00000
     63       7.9701     -0.00000
     64       8.6822     -0.00000
     65       8.8790     -0.00000
     66       9.2103     -0.00000
     67       9.3730     -0.00000
     68       9.4702     -0.00000
     69       9.7899     -0.00000
     70      10.5213     -0.00000
     71      11.1822     -0.00000
     72      11.5425      0.00000
     73      12.0594      0.00000
     74      12.2452      0.00000
     75      13.0151      0.00000
     76      13.2485      0.00000
     77      13.2916      0.00000
     78      13.8564      0.00000
     79      14.5908      0.00000
     80      14.6753      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6560      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6128      2.00000
      9      -0.8293      2.00000
     10      -0.5713      2.00000
     11       0.0729      2.00000
     12       0.1497      2.00000
     13       0.3588      2.00000
     14       0.3932      2.00000
     15       0.5477      2.00000
     16       0.6402      2.00000
     17       0.7646      2.00000
     18       0.7883      2.00000
     19       0.8674      2.00000
     20       0.8731      2.00000
     21       0.9184      2.00000
     22       1.0149      2.00000
     23       1.0266      2.00000
     24       1.0742      2.00000
     25       1.2517      2.00000
     26       1.3093      2.00000
     27       1.3774      2.00000
     28       1.4778      2.00000
     29       1.6254      2.00000
     30       1.6704      2.00000
     31       1.7603      2.00000
     32       1.8369      2.00000
     33       1.9564      2.00000
     34       2.0139      2.00000
     35       2.1713      2.00000
     36       2.2030      2.00000
     37       2.3297      2.00000
     38       2.4288      2.00000
     39       2.4636      2.00000
     40       2.4706      2.00000
     41       2.5125      2.00000
     42       2.6284      2.00000
     43       2.6374      2.00000
     44       2.6584      2.00000
     45       2.8285      2.00000
     46       2.8385      2.00000
     47       2.9491      2.00000
     48       2.9511      2.00000
     49       2.9821      2.00000
     50       3.1930      2.00000
     51       3.2537      2.00000
     52       3.4563      2.00000
     53       3.5504      2.00000
     54       3.6544      2.00000
     55       3.9668      2.00000
     56       4.0654      2.00000
     57       4.2116      2.00000
     58       4.5983      2.00000
     59       5.8671      1.95612
     60       6.1227      0.23622
     61       6.6464     -0.00008
     62       7.3650     -0.00000
     63       8.0008     -0.00000
     64       8.2500     -0.00000
     65       8.6528     -0.00000
     66       9.1089     -0.00000
     67       9.1656     -0.00000
     68      10.9105     -0.00000
     69      11.4379     -0.00000
     70      11.6294      0.00000
     71      11.9426      0.00000
     72      12.3412      0.00000
     73      12.6258      0.00000
     74      13.1719      0.00000
     75      13.2069      0.00000
     76      13.3589      0.00000
     77      13.3967      0.00000
     78      13.8280      0.00000
     79      13.8507      0.00000
     80      14.0865      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6560      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.3573      2.00000
      9      -0.6664      2.00000
     10      -0.5416      2.00000
     11       0.0546      2.00000
     12       0.1867      2.00000
     13       0.4659      2.00000
     14       0.5565      2.00000
     15       0.6224      2.00000
     16       0.6358      2.00000
     17       0.7476      2.00000
     18       0.7890      2.00000
     19       0.9114      2.00000
     20       0.9223      2.00000
     21       0.9488      2.00000
     22       0.9809      2.00000
     23       1.0960      2.00000
     24       1.1246      2.00000
     25       1.1774      2.00000
     26       1.3693      2.00000
     27       1.4309      2.00000
     28       1.5989      2.00000
     29       1.6146      2.00000
     30       1.6789      2.00000
     31       1.7219      2.00000
     32       1.7720      2.00000
     33       1.9361      2.00000
     34       2.0201      2.00000
     35       2.0785      2.00000
     36       2.1907      2.00000
     37       2.2131      2.00000
     38       2.2813      2.00000
     39       2.4570      2.00000
     40       2.4800      2.00000
     41       2.5379      2.00000
     42       2.6406      2.00000
     43       2.6835      2.00000
     44       2.7275      2.00000
     45       2.7502      2.00000
     46       2.8455      2.00000
     47       2.8872      2.00000
     48       2.9857      2.00000
     49       3.0657      2.00000
     50       3.1400      2.00000
     51       3.1649      2.00000
     52       3.3172      2.00000
     53       3.4398      2.00000
     54       3.5210      2.00000
     55       3.7651      2.00000
     56       3.8954      2.00000
     57       5.0212      2.00000
     58       5.1298      2.00000
     59       5.6120      2.01441
     60       6.0396      0.82132
     61       6.8550     -0.00000
     62       7.3545     -0.00000
     63       7.5064     -0.00000
     64       7.6992     -0.00000
     65       8.1155     -0.00000
     66       8.2616     -0.00000
     67       9.9475     -0.00000
     68      10.3747     -0.00000
     69      10.5440     -0.00000
     70      11.0019     -0.00000
     71      11.1593     -0.00000
     72      11.6577      0.00000
     73      12.3306      0.00000
     74      12.4612      0.00000
     75      12.9829      0.00000
     76      13.1699      0.00000
     77      13.6578      0.00000
     78      13.7961      0.00000
     79      14.0924      0.00000
     80      14.3639      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9142      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.8992      2.00000
      9      -0.3673      2.00000
     10      -0.0511      2.00000
     11       0.0290      2.00000
     12       0.4696      2.00000
     13       0.4962      2.00000
     14       0.5795      2.00000
     15       0.6973      2.00000
     16       0.7348      2.00000
     17       0.7717      2.00000
     18       0.8285      2.00000
     19       0.8801      2.00000
     20       0.9972      2.00000
     21       1.0247      2.00000
     22       1.1356      2.00000
     23       1.2402      2.00000
     24       1.3372      2.00000
     25       1.3860      2.00000
     26       1.4598      2.00000
     27       1.5143      2.00000
     28       1.5570      2.00000
     29       1.5938      2.00000
     30       1.7513      2.00000
     31       1.8020      2.00000
     32       1.8717      2.00000
     33       1.9126      2.00000
     34       1.9674      2.00000
     35       2.0196      2.00000
     36       2.1303      2.00000
     37       2.1883      2.00000
     38       2.2290      2.00000
     39       2.2564      2.00000
     40       2.3265      2.00000
     41       2.5570      2.00000
     42       2.6117      2.00000
     43       2.6561      2.00000
     44       2.7235      2.00000
     45       2.7333      2.00000
     46       2.8482      2.00000
     47       2.8723      2.00000
     48       2.9130      2.00000
     49       2.9645      2.00000
     50       3.0477      2.00000
     51       3.1365      2.00000
     52       3.2751      2.00000
     53       3.3515      2.00000
     54       3.4147      2.00000
     55       3.5027      2.00000
     56       3.7144      2.00000
     57       4.6987      2.00000
     58       5.3864      2.00007
     59       5.6330      2.02010
     60       5.8365      2.02603
     61       6.6961     -0.00002
     62       6.9406     -0.00000
     63       7.1039     -0.00000
     64       7.2402     -0.00000
     65       8.4947     -0.00000
     66       8.5810     -0.00000
     67       8.7006     -0.00000
     68       8.9018     -0.00000
     69       9.2472     -0.00000
     70       9.6710     -0.00000
     71      10.8934     -0.00000
     72      11.0828     -0.00000
     73      11.2663     -0.00000
     74      11.7933      0.00000
     75      12.7531      0.00000
     76      13.0073      0.00000
     77      13.5236      0.00000
     78      13.7526      0.00000
     79      13.9972      0.00000
     80      14.3882      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9170      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3678      2.00000
      9      -0.1233      2.00000
     10       0.1000      2.00000
     11       0.1729      2.00000
     12       0.4626      2.00000
     13       0.5300      2.00000
     14       0.5892      2.00000
     15       0.6357      2.00000
     16       0.7452      2.00000
     17       0.9012      2.00000
     18       0.9487      2.00000
     19       1.0651      2.00000
     20       1.1515      2.00000
     21       1.1931      2.00000
     22       1.2400      2.00000
     23       1.3179      2.00000
     24       1.3949      2.00000
     25       1.4840      2.00000
     26       1.5120      2.00000
     27       1.5414      2.00000
     28       1.6227      2.00000
     29       1.7176      2.00000
     30       1.7387      2.00000
     31       1.8372      2.00000
     32       1.9072      2.00000
     33       1.9710      2.00000
     34       2.0413      2.00000
     35       2.1101      2.00000
     36       2.1745      2.00000
     37       2.2555      2.00000
     38       2.3066      2.00000
     39       2.3185      2.00000
     40       2.3807      2.00000
     41       2.4306      2.00000
     42       2.5176      2.00000
     43       2.5618      2.00000
     44       2.5828      2.00000
     45       2.6361      2.00000
     46       2.7032      2.00000
     47       2.7588      2.00000
     48       2.8071      2.00000
     49       2.9573      2.00000
     50       3.0454      2.00000
     51       3.1407      2.00000
     52       3.1815      2.00000
     53       3.3319      2.00000
     54       3.5348      2.00000
     55       3.5994      2.00000
     56       3.9562      2.00000
     57       4.1924      2.00000
     58       4.4147      2.00000
     59       5.2766      2.00000
     60       5.8338      2.03037
     61       5.9556      1.50326
     62       6.2580     -0.07069
     63       6.4674     -0.00669
     64       6.9950     -0.00000
     65       7.8615     -0.00000
     66       8.0315     -0.00000
     67       8.8255     -0.00000
     68       9.1449     -0.00000
     69       9.7243     -0.00000
     70       9.8556     -0.00000
     71      10.3708     -0.00000
     72      10.5768     -0.00000
     73      10.9605     -0.00000
     74      11.8506      0.00000
     75      12.4545      0.00000
     76      12.6198      0.00000
     77      13.3292      0.00000
     78      13.7159      0.00000
     79      14.3555      0.00000
     80      14.4479      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4398      2.00000
      9      -0.1386      2.00000
     10      -0.0180      2.00000
     11       0.1304      2.00000
     12       0.5456      2.00000
     13       0.5898      2.00000
     14       0.6455      2.00000
     15       0.7781      2.00000
     16       0.8034      2.00000
     17       0.9226      2.00000
     18       0.9658      2.00000
     19       1.0485      2.00000
     20       1.1105      2.00000
     21       1.1508      2.00000
     22       1.2397      2.00000
     23       1.3385      2.00000
     24       1.3865      2.00000
     25       1.4081      2.00000
     26       1.4887      2.00000
     27       1.5916      2.00000
     28       1.6689      2.00000
     29       1.7201      2.00000
     30       1.7669      2.00000
     31       1.8218      2.00000
     32       1.8861      2.00000
     33       1.8990      2.00000
     34       2.0041      2.00000
     35       2.1235      2.00000
     36       2.1802      2.00000
     37       2.2199      2.00000
     38       2.2444      2.00000
     39       2.3055      2.00000
     40       2.3953      2.00000
     41       2.4538      2.00000
     42       2.4907      2.00000
     43       2.5537      2.00000
     44       2.6202      2.00000
     45       2.6443      2.00000
     46       2.7286      2.00000
     47       2.7724      2.00000
     48       2.8232      2.00000
     49       2.8773      2.00000
     50       3.1348      2.00000
     51       3.1443      2.00000
     52       3.3446      2.00000
     53       3.4711      2.00000
     54       3.5764      2.00000
     55       3.6083      2.00000
     56       3.7765      2.00000
     57       4.3628      2.00000
     58       4.5597      2.00000
     59       5.1248      2.00000
     60       5.6206      2.01657
     61       5.7587      2.06940
     62       6.4047     -0.01982
     63       6.4973     -0.00366
     64       6.8336     -0.00000
     65       6.9968     -0.00000
     66       7.3756     -0.00000
     67       9.1038     -0.00000
     68       9.3469     -0.00000
     69      10.2466     -0.00000
     70      10.5537     -0.00000
     71      10.9131     -0.00000
     72      11.4143     -0.00000
     73      11.5661      0.00000
     74      11.8328      0.00000
     75      12.1783      0.00000
     76      12.6577      0.00000
     77      12.9314      0.00000
     78      13.0988      0.00000
     79      13.9002      0.00000
     80      14.2322      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.1084      2.00000
      9      -0.3097      2.00000
     10      -0.1703      2.00000
     11       0.2336      2.00000
     12       0.4812      2.00000
     13       0.5463      2.00000
     14       0.5758      2.00000
     15       0.6541      2.00000
     16       0.7713      2.00000
     17       0.8562      2.00000
     18       0.9283      2.00000
     19       1.0190      2.00000
     20       1.0898      2.00000
     21       1.1203      2.00000
     22       1.1665      2.00000
     23       1.1909      2.00000
     24       1.2234      2.00000
     25       1.2532      2.00000
     26       1.3544      2.00000
     27       1.4835      2.00000
     28       1.5511      2.00000
     29       1.6389      2.00000
     30       1.6856      2.00000
     31       1.7934      2.00000
     32       1.8391      2.00000
     33       1.9691      2.00000
     34       2.0383      2.00000
     35       2.1009      2.00000
     36       2.1634      2.00000
     37       2.2197      2.00000
     38       2.2430      2.00000
     39       2.3027      2.00000
     40       2.3379      2.00000
     41       2.5267      2.00000
     42       2.6192      2.00000
     43       2.6436      2.00000
     44       2.7205      2.00000
     45       2.7348      2.00000
     46       2.7796      2.00000
     47       2.8183      2.00000
     48       2.9386      2.00000
     49       2.9975      2.00000
     50       3.0644      2.00000
     51       3.1384      2.00000
     52       3.2040      2.00000
     53       3.4266      2.00000
     54       3.4652      2.00000
     55       3.5680      2.00000
     56       3.7183      2.00000
     57       4.5310      2.00000
     58       4.7881      2.00000
     59       5.4086      2.00014
     60       5.9565      1.49671
     61       6.4748     -0.00579
     62       6.8121     -0.00000
     63       7.0908     -0.00000
     64       7.3892     -0.00000
     65       8.0515     -0.00000
     66       8.6655     -0.00000
     67       8.7609     -0.00000
     68       9.3364     -0.00000
     69       9.8352     -0.00000
     70       9.9196     -0.00000
     71      10.6601     -0.00000
     72      11.1723     -0.00000
     73      11.8773      0.00000
     74      12.1902      0.00000
     75      12.6548      0.00000
     76      13.2229      0.00000
     77      13.9597      0.00000
     78      14.0343      0.00000
     79      14.3670      0.00000
     80      14.4076      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5486      2.00000
      9      -0.6272      2.00000
     10      -0.3824      2.00000
     11       0.1889      2.00000
     12       0.2319      2.00000
     13       0.4359      2.00000
     14       0.5225      2.00000
     15       0.5854      2.00000
     16       0.6296      2.00000
     17       0.6920      2.00000
     18       0.8058      2.00000
     19       0.9145      2.00000
     20       0.9428      2.00000
     21       0.9820      2.00000
     22       1.0451      2.00000
     23       1.1309      2.00000
     24       1.1578      2.00000
     25       1.2485      2.00000
     26       1.2700      2.00000
     27       1.3830      2.00000
     28       1.5916      2.00000
     29       1.6435      2.00000
     30       1.7058      2.00000
     31       1.7587      2.00000
     32       1.8208      2.00000
     33       1.8695      2.00000
     34       1.9922      2.00000
     35       2.0342      2.00000
     36       2.1212      2.00000
     37       2.3091      2.00000
     38       2.3457      2.00000
     39       2.4442      2.00000
     40       2.5149      2.00000
     41       2.5268      2.00000
     42       2.6066      2.00000
     43       2.6732      2.00000
     44       2.6984      2.00000
     45       2.7932      2.00000
     46       2.8438      2.00000
     47       2.9032      2.00000
     48       3.0497      2.00000
     49       3.0927      2.00000
     50       3.2095      2.00000
     51       3.2301      2.00000
     52       3.2982      2.00000
     53       3.4016      2.00000
     54       3.5887      2.00000
     55       3.7968      2.00000
     56       3.8150      2.00000
     57       3.9767      2.00000
     58       4.7521      2.00000
     59       5.6564      2.02810
     60       6.5580     -0.00091
     61       6.8458     -0.00000
     62       7.4471     -0.00000
     63       7.8306     -0.00000
     64       7.8833     -0.00000
     65       8.4192     -0.00000
     66       9.0479     -0.00000
     67       9.2227     -0.00000
     68       9.9857     -0.00000
     69      10.4713     -0.00000
     70      10.7210     -0.00000
     71      11.1376     -0.00000
     72      11.4768     -0.00000
     73      12.1348      0.00000
     74      12.6573      0.00000
     75      12.9978      0.00000
     76      13.3535      0.00000
     77      13.4971      0.00000
     78      13.9016      0.00000
     79      14.3169      0.00000
     80      14.5396      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6560      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6072      2.00000
      9      -0.7818      2.00000
     10      -0.6590      2.00000
     11       0.0671      2.00000
     12       0.1916      2.00000
     13       0.3549      2.00000
     14       0.3909      2.00000
     15       0.5651      2.00000
     16       0.6132      2.00000
     17       0.7277      2.00000
     18       0.7848      2.00000
     19       0.8452      2.00000
     20       0.9049      2.00000
     21       0.9250      2.00000
     22       1.0641      2.00000
     23       1.1109      2.00000
     24       1.1494      2.00000
     25       1.2449      2.00000
     26       1.2599      2.00000
     27       1.2701      2.00000
     28       1.4699      2.00000
     29       1.6033      2.00000
     30       1.6212      2.00000
     31       1.7492      2.00000
     32       1.7900      2.00000
     33       1.9125      2.00000
     34       2.1274      2.00000
     35       2.1572      2.00000
     36       2.3456      2.00000
     37       2.3549      2.00000
     38       2.3931      2.00000
     39       2.4401      2.00000
     40       2.4695      2.00000
     41       2.5366      2.00000
     42       2.6317      2.00000
     43       2.6666      2.00000
     44       2.7301      2.00000
     45       2.7996      2.00000
     46       2.8465      2.00000
     47       2.8968      2.00000
     48       2.9417      2.00000
     49       3.0393      2.00000
     50       3.1787      2.00000
     51       3.2270      2.00000
     52       3.3948      2.00000
     53       3.5909      2.00000
     54       3.6427      2.00000
     55       3.9587      2.00000
     56       4.0583      2.00000
     57       4.2304      2.00000
     58       4.4605      2.00000
     59       5.6802      2.03791
     60       6.2366     -0.06438
     61       6.6933     -0.00002
     62       7.5134     -0.00000
     63       7.8844     -0.00000
     64       8.1368     -0.00000
     65       8.8069     -0.00000
     66       9.3759     -0.00000
     67       9.5888     -0.00000
     68      10.7385     -0.00000
     69      10.8923     -0.00000
     70      11.4714     -0.00000
     71      11.9804      0.00000
     72      12.0766      0.00000
     73      12.5126      0.00000
     74      12.8915      0.00000
     75      13.0072      0.00000
     76      13.2876      0.00000
     77      13.4382      0.00000
     78      13.8966      0.00000
     79      14.0525      0.00000
     80      14.3360      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6020      2.00000
      8      -1.3895      2.00000
      9      -0.7310      2.00000
     10      -0.4725      2.00000
     11       0.1197      2.00000
     12       0.1869      2.00000
     13       0.4780      2.00000
     14       0.5477      2.00000
     15       0.6304      2.00000
     16       0.6365      2.00000
     17       0.7473      2.00000
     18       0.7679      2.00000
     19       0.9286      2.00000
     20       0.9340      2.00000
     21       0.9513      2.00000
     22       0.9802      2.00000
     23       1.1188      2.00000
     24       1.1605      2.00000
     25       1.1820      2.00000
     26       1.3683      2.00000
     27       1.3806      2.00000
     28       1.5167      2.00000
     29       1.6170      2.00000
     30       1.6319      2.00000
     31       1.7942      2.00000
     32       1.8442      2.00000
     33       1.9624      2.00000
     34       1.9896      2.00000
     35       2.1663      2.00000
     36       2.2021      2.00000
     37       2.2220      2.00000
     38       2.2582      2.00000
     39       2.3083      2.00000
     40       2.5367      2.00000
     41       2.5770      2.00000
     42       2.6226      2.00000
     43       2.6955      2.00000
     44       2.7429      2.00000
     45       2.8154      2.00000
     46       2.8970      2.00000
     47       2.9575      2.00000
     48       3.0037      2.00000
     49       3.1135      2.00000
     50       3.1564      2.00000
     51       3.1982      2.00000
     52       3.3109      2.00000
     53       3.4007      2.00000
     54       3.5591      2.00000
     55       3.7453      2.00000
     56       3.9001      2.00000
     57       4.0341      2.00000
     58       4.2887      2.00000
     59       6.2386     -0.06539
     60       6.6599     -0.00006
     61       7.1150     -0.00000
     62       7.3103     -0.00000
     63       8.0029     -0.00000
     64       8.2252     -0.00000
     65       8.3864     -0.00000
     66       8.7902     -0.00000
     67       9.5593     -0.00000
     68       9.8223     -0.00000
     69      10.1356     -0.00000
     70      10.3438     -0.00000
     71      10.8612     -0.00000
     72      11.3379     -0.00000
     73      12.0501      0.00000
     74      12.2056      0.00000
     75      12.6267      0.00000
     76      13.1366      0.00000
     77      13.5518      0.00000
     78      13.7498      0.00000
     79      14.3157      0.00000
     80      14.6211      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.9136      2.00000
      9      -0.4533      2.00000
     10       0.0449      2.00000
     11       0.0944      2.00000
     12       0.3947      2.00000
     13       0.4979      2.00000
     14       0.6470      2.00000
     15       0.6693      2.00000
     16       0.7368      2.00000
     17       0.7796      2.00000
     18       0.8180      2.00000
     19       0.9059      2.00000
     20       1.0196      2.00000
     21       1.0438      2.00000
     22       1.1246      2.00000
     23       1.2299      2.00000
     24       1.2722      2.00000
     25       1.2933      2.00000
     26       1.3795      2.00000
     27       1.4637      2.00000
     28       1.6720      2.00000
     29       1.6981      2.00000
     30       1.7862      2.00000
     31       1.8249      2.00000
     32       1.8542      2.00000
     33       1.9115      2.00000
     34       1.9723      2.00000
     35       1.9989      2.00000
     36       2.0286      2.00000
     37       2.2387      2.00000
     38       2.2949      2.00000
     39       2.3511      2.00000
     40       2.4824      2.00000
     41       2.5193      2.00000
     42       2.5692      2.00000
     43       2.6886      2.00000
     44       2.7080      2.00000
     45       2.7418      2.00000
     46       2.7623      2.00000
     47       2.8560      2.00000
     48       2.8798      2.00000
     49       2.9122      2.00000
     50       3.0736      2.00000
     51       3.1663      2.00000
     52       3.3316      2.00000
     53       3.3470      2.00000
     54       3.5848      2.00000
     55       3.7515      2.00000
     56       3.8227      2.00000
     57       4.0243      2.00000
     58       4.6298      2.00000
     59       4.8198      2.00000
     60       6.5714     -0.00065
     61       7.0549     -0.00000
     62       7.5081     -0.00000
     63       7.6230     -0.00000
     64       7.8431     -0.00000
     65       8.0286     -0.00000
     66       8.6844     -0.00000
     67       8.9073     -0.00000
     68       9.1869     -0.00000
     69       9.5797     -0.00000
     70       9.6029     -0.00000
     71       9.8013     -0.00000
     72      10.0840     -0.00000
     73      11.4866      0.00000
     74      11.7997      0.00000
     75      11.8815      0.00000
     76      12.9954      0.00000
     77      13.3763      0.00000
     78      13.9796      0.00000
     79      14.2265      0.00000
     80      14.5785      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9170      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3640      2.00000
      9      -0.1227      2.00000
     10       0.1038      2.00000
     11       0.1527      2.00000
     12       0.4172      2.00000
     13       0.5352      2.00000
     14       0.6103      2.00000
     15       0.6905      2.00000
     16       0.7676      2.00000
     17       0.8924      2.00000
     18       0.9359      2.00000
     19       1.0670      2.00000
     20       1.1187      2.00000
     21       1.1823      2.00000
     22       1.2115      2.00000
     23       1.3431      2.00000
     24       1.3921      2.00000
     25       1.4466      2.00000
     26       1.5069      2.00000
     27       1.6572      2.00000
     28       1.6994      2.00000
     29       1.7190      2.00000
     30       1.7376      2.00000
     31       1.8337      2.00000
     32       1.8728      2.00000
     33       1.9337      2.00000
     34       2.0085      2.00000
     35       2.1216      2.00000
     36       2.1614      2.00000
     37       2.2521      2.00000
     38       2.2779      2.00000
     39       2.3472      2.00000
     40       2.3942      2.00000
     41       2.4357      2.00000
     42       2.5266      2.00000
     43       2.5695      2.00000
     44       2.5945      2.00000
     45       2.6426      2.00000
     46       2.6779      2.00000
     47       2.7293      2.00000
     48       2.7917      2.00000
     49       2.8764      2.00000
     50       3.0750      2.00000
     51       3.1253      2.00000
     52       3.1788      2.00000
     53       3.2239      2.00000
     54       3.4891      2.00000
     55       3.5986      2.00000
     56       3.9577      2.00000
     57       4.6231      2.00000
     58       4.7016      2.00000
     59       5.1193      2.00000
     60       5.6476      2.02489
     61       5.7770      2.07081
     62       6.0845      0.47302
     63       6.3823     -0.02739
     64       6.9301     -0.00000
     65       7.6581     -0.00000
     66       8.4531     -0.00000
     67       9.0017     -0.00000
     68       9.3546     -0.00000
     69       9.4763     -0.00000
     70       9.8160     -0.00000
     71      10.6653     -0.00000
     72      11.0192     -0.00000
     73      11.3746     -0.00000
     74      11.7083      0.00000
     75      12.0780      0.00000
     76      12.4150      0.00000
     77      12.7605      0.00000
     78      13.6204      0.00000
     79      13.9592      0.00000
     80      14.1628      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4283      2.00000
      9      -0.1872      2.00000
     10       0.0376      2.00000
     11       0.1378      2.00000
     12       0.5265      2.00000
     13       0.5868      2.00000
     14       0.6770      2.00000
     15       0.7372      2.00000
     16       0.7956      2.00000
     17       0.8749      2.00000
     18       0.9525      2.00000
     19       1.0907      2.00000
     20       1.1091      2.00000
     21       1.1977      2.00000
     22       1.2714      2.00000
     23       1.2949      2.00000
     24       1.3644      2.00000
     25       1.4115      2.00000
     26       1.4658      2.00000
     27       1.5514      2.00000
     28       1.6665      2.00000
     29       1.7407      2.00000
     30       1.7728      2.00000
     31       1.8308      2.00000
     32       1.8465      2.00000
     33       1.9592      2.00000
     34       2.0598      2.00000
     35       2.0936      2.00000
     36       2.1315      2.00000
     37       2.2415      2.00000
     38       2.2784      2.00000
     39       2.2877      2.00000
     40       2.4368      2.00000
     41       2.4740      2.00000
     42       2.4780      2.00000
     43       2.5532      2.00000
     44       2.6229      2.00000
     45       2.6491      2.00000
     46       2.7027      2.00000
     47       2.7923      2.00000
     48       2.8016      2.00000
     49       2.8806      2.00000
     50       3.0905      2.00000
     51       3.1680      2.00000
     52       3.2502      2.00000
     53       3.4828      2.00000
     54       3.5628      2.00000
     55       3.6528      2.00000
     56       4.0612      2.00000
     57       4.5103      2.00000
     58       4.5615      2.00000
     59       4.8285      2.00000
     60       5.1676      2.00000
     61       5.6579      2.02870
     62       6.1381      0.16131
     63       6.3989     -0.02163
     64       7.5672     -0.00000
     65       7.7334     -0.00000
     66       8.0264     -0.00000
     67       8.4194     -0.00000
     68       8.9566     -0.00000
     69       9.6311     -0.00000
     70      10.2582     -0.00000
     71      10.3995     -0.00000
     72      11.2695     -0.00000
     73      11.6890      0.00000
     74      12.2874      0.00000
     75      12.4673      0.00000
     76      12.6262      0.00000
     77      13.3659      0.00000
     78      13.6134      0.00000
     79      14.1718      0.00000
     80      14.3065      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6560      2.00000
      6     -39.6134      2.00000
      7     -39.6042      2.00000
      8      -1.0482      2.00000
      9      -0.4646      2.00000
     10      -0.0806      2.00000
     11       0.3263      2.00000
     12       0.4418      2.00000
     13       0.5128      2.00000
     14       0.5665      2.00000
     15       0.6427      2.00000
     16       0.7471      2.00000
     17       0.8185      2.00000
     18       0.9195      2.00000
     19       0.9887      2.00000
     20       1.0215      2.00000
     21       1.0953      2.00000
     22       1.1824      2.00000
     23       1.2103      2.00000
     24       1.3107      2.00000
     25       1.3380      2.00000
     26       1.3590      2.00000
     27       1.4389      2.00000
     28       1.5044      2.00000
     29       1.6041      2.00000
     30       1.7664      2.00000
     31       1.8411      2.00000
     32       1.8615      2.00000
     33       1.9296      2.00000
     34       1.9887      2.00000
     35       2.0414      2.00000
     36       2.1203      2.00000
     37       2.1940      2.00000
     38       2.2604      2.00000
     39       2.3294      2.00000
     40       2.4496      2.00000
     41       2.4926      2.00000
     42       2.5083      2.00000
     43       2.6507      2.00000
     44       2.6811      2.00000
     45       2.7611      2.00000
     46       2.8016      2.00000
     47       2.8507      2.00000
     48       2.9248      2.00000
     49       3.0223      2.00000
     50       3.0823      2.00000
     51       3.1497      2.00000
     52       3.2180      2.00000
     53       3.3241      2.00000
     54       3.4871      2.00000
     55       3.6516      2.00000
     56       3.8499      2.00000
     57       4.7570      2.00000
     58       5.2134      2.00000
     59       5.3395      2.00002
     60       5.5984      2.01143
     61       6.3420     -0.04444
     62       6.5407     -0.00139
     63       7.2846     -0.00000
     64       7.3890     -0.00000
     65       7.6646     -0.00000
     66       8.0567     -0.00000
     67       8.8539     -0.00000
     68       9.6496     -0.00000
     69       9.9800     -0.00000
     70      10.4963     -0.00000
     71      10.6823     -0.00000
     72      11.0083     -0.00000
     73      11.3046     -0.00000
     74      12.4693      0.00000
     75      13.0232      0.00000
     76      13.2969      0.00000
     77      13.5928      0.00000
     78      14.1267      0.00000
     79      14.2234      0.00000
     80      14.8611      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6560      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.4870      2.00000
      9      -0.7358      2.00000
     10      -0.3600      2.00000
     11       0.1618      2.00000
     12       0.2183      2.00000
     13       0.4636      2.00000
     14       0.5293      2.00000
     15       0.6070      2.00000
     16       0.6307      2.00000
     17       0.6641      2.00000
     18       0.8214      2.00000
     19       0.8781      2.00000
     20       0.9367      2.00000
     21       0.9753      2.00000
     22       0.9934      2.00000
     23       1.1426      2.00000
     24       1.1783      2.00000
     25       1.2460      2.00000
     26       1.3205      2.00000
     27       1.4354      2.00000
     28       1.5465      2.00000
     29       1.5952      2.00000
     30       1.6164      2.00000
     31       1.6905      2.00000
     32       1.8939      2.00000
     33       1.9653      2.00000
     34       2.0179      2.00000
     35       2.0920      2.00000
     36       2.1947      2.00000
     37       2.2574      2.00000
     38       2.3343      2.00000
     39       2.3546      2.00000
     40       2.4539      2.00000
     41       2.4726      2.00000
     42       2.6321      2.00000
     43       2.6736      2.00000
     44       2.7526      2.00000
     45       2.7777      2.00000
     46       2.8277      2.00000
     47       2.9652      2.00000
     48       2.9855      2.00000
     49       3.1161      2.00000
     50       3.1539      2.00000
     51       3.1966      2.00000
     52       3.3046      2.00000
     53       3.3799      2.00000
     54       3.6133      2.00000
     55       3.7816      2.00000
     56       3.8288      2.00000
     57       4.6179      2.00000
     58       5.1307      2.00000
     59       5.6800      2.03782
     60       6.1363      0.16932
     61       6.4431     -0.01050
     62       6.9188     -0.00000
     63       7.2595     -0.00000
     64       7.9401     -0.00000
     65       8.8954     -0.00000
     66       8.9846     -0.00000
     67       9.2226     -0.00000
     68       9.9778     -0.00000
     69      10.0488     -0.00000
     70      11.7032      0.00000
     71      11.9110      0.00000
     72      12.1182      0.00000
     73      12.2374      0.00000
     74      12.4575      0.00000
     75      12.8934      0.00000
     76      13.2972      0.00000
     77      13.5658      0.00000
     78      13.8114      0.00000
     79      13.9584      0.00000
     80      14.4591      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.025   0.010   0.030   0.010   0.006  -1.172  -0.014  -0.025  -0.041  -0.014   0.019  -0.005  -0.013   0.007   0.357  -0.000
  0.010   3.075  -0.271   0.018  -0.180  -0.014  -1.061   0.225  -0.009   0.143  -0.067   0.012  -0.000   0.172   0.008   0.000
  0.030  -0.271   2.657   0.008  -0.316  -0.025   0.225  -0.700  -0.018   0.233   0.085  -0.036  -0.112  -0.021  -0.004   0.006
  0.010   0.018   0.008   2.947   0.016  -0.041  -0.009  -0.018  -1.110  -0.007  -0.019   0.004   0.010   0.004  -0.021  -0.000
  0.006  -0.180  -0.316   0.016   3.080  -0.014   0.143   0.233  -0.007  -1.018  -0.142   0.068   0.045  -0.009   0.020   0.008
 -1.172  -0.014  -0.025  -0.041  -0.014   1.226   0.017   0.021   0.067   0.019  -0.017   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.061   0.225  -0.009   0.143   0.017   0.980  -0.182   0.002  -0.107   0.061  -0.014  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.700  -0.018   0.233   0.021  -0.182   0.680   0.026  -0.161  -0.093   0.047   0.085   0.025   0.002  -0.002
 -0.041  -0.009  -0.018  -1.110  -0.007   0.067   0.002   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.012   0.000
 -0.014   0.143   0.233  -0.007  -1.018   0.019  -0.107  -0.161   0.001   0.910   0.133  -0.074  -0.049   0.010  -0.016  -0.000
  0.019  -0.067   0.085  -0.019  -0.142  -0.017   0.061  -0.093   0.019   0.133   2.093  -0.312  -0.042   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.014   0.047  -0.006  -0.074  -0.312   0.126   0.060  -0.004   0.002  -0.002
 -0.013  -0.000  -0.112   0.010   0.045   0.012  -0.008   0.085  -0.009  -0.049  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.002   0.010   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.020  -0.290  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.66: real time    1.67
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.68
    STRESS:  cpu time    6.58: real time    6.63
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.14529   469.14529   469.14529
  Ewald   -2470.91831 -3174.01201 -2710.12605   -22.02374   -22.15884    11.92747
  Hartree   848.78329   345.18841   678.02369   -14.76359    -1.60147     7.59339
  E(xc)    -540.90770  -541.58517  -541.06261    -0.02576    -0.13474     0.01476
  Local    -595.56231   608.85070  -185.86487    36.33148    22.58389   -19.07580
  n-local  -102.86493   -99.62375  -101.57348     0.29733     0.74022    -0.26652
  augment   723.83808   723.30117   723.38071     0.02359     0.11619    -0.04324
  Kinetic  1668.46796  1668.74347  1668.07197     0.16226     0.48798    -0.15521
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.01864     0.00810    -0.00535     0.00158     0.03323    -0.00514
  in kB      -0.11600     0.05042    -0.03327     0.00985     0.20673    -0.03196
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.51
      direct lattice vectors                 reciprocal lattice vectors
     4.099678699 -0.101664945  0.142280446     0.243616742  0.100392386  0.080517160
    -3.910442366  8.753301462  0.917623170     0.002766353  0.115204986  0.002608577
    -2.321177015 -0.106286317  7.155591688    -0.005198783 -0.016769911  0.137815339

  length of vectors
     4.103406502  9.630881490  7.523406936     0.275519076  0.115267715  0.138929208


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.355E+01 -.159E+03 0.250E+02   0.372E+01 0.162E+03 -.253E+02   -.168E+00 -.281E+01 0.298E+00   0.918E-05 -.346E-03 -.913E-04
   0.355E+01 0.159E+03 -.250E+02   -.372E+01 -.162E+03 0.253E+02   0.169E+00 0.281E+01 -.298E+00   -.117E-04 0.350E-03 0.929E-04
   0.332E+01 0.146E+03 0.659E+01   -.341E+01 -.147E+03 -.641E+01   0.883E-01 0.128E+01 -.171E+00   0.585E-04 0.447E-04 0.161E-03
   -.129E+00 -.692E+02 -.431E+02   0.133E+00 0.689E+02 0.439E+02   -.439E-02 0.322E+00 -.840E+00   0.284E-05 0.495E-04 -.341E-03
   0.626E+01 0.981E+02 -.968E+02   -.632E+01 -.993E+02 0.982E+02   0.623E-01 0.126E+01 -.140E+01   0.413E-04 0.169E-04 -.881E-04
   0.411E-01 -.132E-01 0.182E-01   -.410E-01 0.131E-01 -.181E-01   -.880E-03 0.380E-03 -.325E-03   0.752E-05 -.983E-05 -.217E-05
   -.629E+01 -.980E+02 0.967E+02   0.635E+01 0.993E+02 -.981E+02   -.612E-01 -.126E+01 0.140E+01   -.566E-04 -.174E-04 0.745E-04
   -.334E+01 -.146E+03 -.657E+01   0.343E+01 0.147E+03 0.639E+01   -.879E-01 -.128E+01 0.171E+00   -.663E-04 -.559E-04 -.152E-03
   0.136E+00 0.692E+02 0.431E+02   -.141E+00 -.688E+02 -.439E+02   0.433E-02 -.322E+00 0.840E+00   0.671E-05 -.371E-04 0.353E-03
   0.865E-02 -.316E-03 0.197E-03   -.838E-02 0.327E-03 -.186E-03   -.349E-03 0.138E-03 -.546E-04   -.180E-06 0.226E-05 -.467E-06
   0.981E+00 0.962E+01 -.281E+02   -.986E+00 -.943E+01 0.280E+02   0.387E-02 -.187E+00 0.979E-01   0.646E-05 0.199E-04 0.612E-06
   -.985E+00 -.961E+01 0.281E+02   0.990E+00 0.942E+01 -.280E+02   -.390E-02 0.187E+00 -.979E-01   -.601E-05 -.187E-04 0.111E-05
   0.768E+00 -.915E+01 -.204E+02   -.724E+00 0.919E+01 0.202E+02   -.433E-01 -.401E-01 0.270E+00   -.300E-05 -.266E-05 -.158E-04
   -.169E+01 -.620E+02 0.462E+01   0.168E+01 0.619E+02 -.488E+01   0.467E-02 0.640E-01 0.244E+00   0.621E-05 -.982E-05 0.479E-04
   -.767E+00 0.915E+01 0.205E+02   0.724E+00 -.919E+01 -.202E+02   0.431E-01 0.405E-01 -.270E+00   0.310E-05 0.331E-05 0.157E-04
   0.169E+01 0.620E+02 -.463E+01   -.169E+01 -.619E+02 0.488E+01   -.497E-02 -.640E-01 -.244E+00   -.494E-05 0.112E-04 -.518E-04
 -----------------------------------------------------------------------------------------------
   -.460E-03 0.647E-04 -.122E-03   0.600E-14 -.227E-12 -.675E-13   0.497E-03 0.898E-03 0.840E-04   -.692E-05 0.658E-06 0.405E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07007      6.35642      7.88649        -0.002314      0.004076      0.002508
     -2.91089      8.15364      4.53769         0.002492     -0.004092     -0.002586
     -1.04315      1.16237      4.62622        -0.002969     -0.000227      0.009888
     -2.90204      5.24013      2.40054         0.000028     -0.002898      0.004479
      1.19273      1.83237      0.31317         0.000419     -0.004912      0.003510
     -3.08502      2.92917      5.68217        -0.000706      0.000223     -0.000219
     -0.94216      4.03074      4.03770         0.000324      0.004301     -0.002837
     -1.02740      4.59440      6.88033         0.003503      0.000068     -0.010199
      3.15267      0.62302      1.95045        -0.000310      0.002935     -0.004710
     -5.04015      7.30584      6.14093        -0.000086      0.000091     -0.000042
     -0.84855      3.63478      1.26066        -0.001019     -0.002368     -0.001952
      1.09905      2.22843      3.09026         0.000900      0.002569      0.002050
     -0.85011      6.70132      3.45594        -0.000035      0.001540     -0.004307
     -2.99640      5.53111      5.14219        -0.000262     -0.003929     -0.006421
     -2.80966      7.91513      1.81264        -0.000061     -0.001143      0.004346
      0.92595      0.22560      6.36432         0.000094      0.003767      0.006491
 -----------------------------------------------------------------------------------
    total drift:                                0.000031      0.000963     -0.000034


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87779992 eV

  energy  without entropy=      -49.88275461  energy(sigma->0) =      -49.87945148
 
 d Force = 0.5671284E-04[ 0.592E-05, 0.108E-03]  d Energy = 0.6257999E-04-0.587E-05
 d Force =-0.5802674E+00[-0.585E+00,-0.575E+00]  d Ewald  =-0.1328348E+01 0.748E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.74
     LOOP+:  cpu time  145.73: real time  146.76


----------------------------------------- Iteration   16(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.56: real time   15.65
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.29: real time   17.39

 eigenvalue-minimisa     EDDAV:  cpu time   16.17: real time   16.25
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   16.21: real time   16.28

 eigenvalue-minimisations  :  7008
 total energy-change (2. order) :-0.3250716E-07  (-0.2741351E-07)
 number of electron     120.0000053 magnetization 
 augmentation part       42.0469200 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       470.05135839
  Ewald energy   TEWEN  =     -8365.63219871
  -1/2 Hartree   DENC   =     -1864.26364168
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.50577006
  PAW double counting   =      9488.75373419    -9416.72064822
  entropy T*S    EENTRO =         0.00531852
  eigenvalues    EBANDS =      -336.78600576
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87673792 eV

  energy without entropy =      -49.88205643  energy(sigma->0) =      -49.87851076
-----------------------------




----------------------------------------- Iteration   16(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.95: real time   19.07
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.68: real time   20.81

 eigenvalue-minimisations  :  8768
 total energy-change (2. order) :-0.5715685E-04  (-0.1150819E-03)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0530455 magnetization 

 Broyden mixing:
  rms(total) = 0.27788E-02    rms(broyden)= 0.27787E-02
  rms(prec ) = 0.37749E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0508
  1.0508

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09125636
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45982674
  PAW double counting   =      9486.88819625    -9414.85291382
  entropy T*S    EENTRO =         0.00493720
  eigenvalues    EBANDS =      -338.73632500
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87788342 eV

  energy without entropy =      -49.88282061  energy(sigma->0) =      -49.87952915
  23       1.1105      2.00000
     24       1.1998      2.00000
     25       1.2282      2.00000
     26       1.2958      2.00000
     27       1.3274      2.00000
     28       1.5928      2.00000
     29       1.6670      2.00000
     30       1.7255      2.00000
     31       1.7556      2.00000
     32       1.8018      2.00000
     33       1.9357      2.00000
     34       1.9515      2.00000
     35       2.1654      2.00000
     36       2.1861      2.00000
     37       2.2837      2.00000
     38       2.3237      2.00000
     39       2.4588      2.00000
     40       2.5483      2.00000
     41       2.5991      2.00000
     42       2.6515      2.00000
     43       2.7340      2.00000
     44       2.8812      2.00000
     45       2.8980      2.00000
     46       2.9213      2.00000
     47       3.0105      2.00000
     48       3.0531      2.00000
     49       3.1238      2.00000
     50       3.1527      2.00000
     51       3.3447      2.00000
     52       3.3915      2.00000
     53       3.5119      2.00000
     54       3.6008      2.00000
     55       3.9064      2.00000
     56       4.0831      2.00000
     57       4.2383      2.00000
     58       4.2594      2.00000
     59       4.9532      2.00000
     60       5.6454      2.01940
     61       6.2819     -0.07080
     62       8.2795     -0.00000
     63       8.3180     -0.00000
     64       8.3566     -0.00000
     65       8.9910     -0.00000
     66       9.6660     -0.00000
     67      10.3880     -0.00000
     68      10.7630     -0.00000
     69      11.4888     -0.00000
     70      11.7927      0.00000
     71      11.8377      0.00000
     72      12.1079      0.00000
     73      12.2782      0.00000
     74      12.3822      0.00000
     75      12.5202      0.00000
     76      12.7923      0.00000
     77      13.3102      0.00000
     78      13.6736      0.00000
     79      13.8068      0.00000
     80      14.6686      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.6587      2.00000
      9      -0.5551      2.00000
     10      -0.2600      2.00000
     11       0.2734      2.00000
     12       0.2945      2.00000
     13       0.4014      2.00000
     14       0.4781      2.00000
     15       0.6138      2.00000
     16       0.6279      2.00000
     17       0.7486      2.00000
     18       0.8364      2.00000
     19       0.9255      2.00000
     20       0.9530      2.00000
     21       0.9865      2.00000
     22       1.1148      2.00000
     23       1.1300      2.00000
     24       1.2099      2.00000
     25       1.2573      2.00000
     26       1.3675      2.00000
     27       1.3951      2.00000
     28       1.5073      2.00000
     29       1.6414      2.00000
     30       1.6773      2.00000
     31       1.7671      2.00000
     32       1.8342      2.00000
     33       1.8653      2.00000
     34       2.0233      2.00000
     35       2.0425      2.00000
     36       2.1817      2.00000
     37       2.2697      2.00000
     38       2.3767      2.00000
     39       2.4706      2.00000
     40       2.5133      2.00000
     41       2.5764      2.00000
     42       2.6195      2.00000
     43       2.6997      2.00000
     44       2.7475      2.00000
     45       2.8205      2.00000
     46       2.8327      2.00000
     47       2.9354      2.00000
     48       3.0709      2.00000
     49       3.1320      2.00000
     50       3.2101      2.00000
     51       3.2517      2.00000
     52       3.2926      2.00000
     53       3.4342      2.00000
     54       3.6296      2.00000
     55       3.7229      2.00000
     56       3.8643      2.00000
     57       4.1155      2.00000
     58       4.5927      2.00000
     59       5.5138      2.00149
     60       6.2792     -0.07091
     61       6.8093     -0.00000
     62       7.1333     -0.00000
     63       7.7440     -0.00000
     64       8.2448     -0.00000
     65       8.5916     -0.00000
     66       8.7349     -0.00000
     67       9.6831     -0.00000
     68      10.2990     -0.00000
     69      10.6330     -0.00000
     70      10.6951     -0.00000
     71      11.1606     -0.00000
     72      11.7468      0.00000
     73      12.5659      0.00000
     74      12.9403      0.00000
     75      13.2527      0.00000
     76      13.3289      0.00000
     77      13.4973      0.00000
     78      13.8844      0.00000
     79      14.4761      0.00000
     80      14.7163      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5670      2.00000
      8      -1.0179      2.00000
      9      -0.3993      2.00000
     10      -0.1115      2.00000
     11       0.3348      2.00000
     12       0.4333      2.00000
     13       0.5119      2.00000
     14       0.6011      2.00000
     15       0.6635      2.00000
     16       0.7473      2.00000
     17       0.8537      2.00000
     18       0.9269      2.00000
     19       1.0086      2.00000
     20       1.0551      2.00000
     21       1.0901      2.00000
     22       1.1893      2.00000
     23       1.2426      2.00000
     24       1.2958      2.00000
     25       1.3249      2.00000
     26       1.3747      2.00000
     27       1.4709      2.00000
     28       1.5682      2.00000
     29       1.6211      2.00000
     30       1.7403      2.00000
     31       1.8257      2.00000
     32       1.8713      2.00000
     33       1.9699      2.00000
     34       2.0253      2.00000
     35       2.1237      2.00000
     36       2.1360      2.00000
     37       2.1995      2.00000
     38       2.2655      2.00000
     39       2.3222      2.00000
     40       2.4203      2.00000
     41       2.4990      2.00000
     42       2.5494      2.00000
     43       2.6671      2.00000
     44       2.7021      2.00000
     45       2.7575      2.00000
     46       2.8110      2.00000
     47       2.8569      2.00000
     48       2.9394      2.00000
     49       3.0306      2.00000
     50       3.1140      2.00000
     51       3.1602      2.00000
     52       3.2577      2.00000
     53       3.3771      2.00000
     54       3.4712      2.00000
     55       3.5937      2.00000
     56       3.8407      2.00000
     57       4.6339      2.00000
     58       5.0131      2.00000
     59       5.4584      2.00037
     60       5.7985      2.07004
     61       6.4874     -0.00605
     62       6.8452     -0.00000
     63       7.0061     -0.00000
     64       7.5379     -0.00000
     65       8.0290     -0.00000
     66       8.3655     -0.00000
     67       8.7338     -0.00000
     68       9.4535     -0.00000
     69       9.8422     -0.00000
     70      10.3633     -0.00000
     71      10.5070     -0.00000
     72      10.8019     -0.00000
     73      11.4395     -0.00000
     74      12.2372      0.00000
     75      13.1536      0.00000
     76      13.6865      0.00000
     77      13.7676      0.00000
     78      13.9017      0.00000
     79      14.3309      0.00000
     80      14.7309      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3763      2.00000
      9      -0.0936      2.00000
     10       0.0997      2.00000
     11       0.1788      2.00000
     12       0.4969      2.00000
     13       0.5200      2.00000
     14       0.5755      2.00000
     15       0.6463      2.00000
     16       0.8441      2.00000
     17       0.9315      2.00000
     18       0.9473      2.00000
     19       1.1235      2.00000
     20       1.1775      2.00000
     21       1.2029      2.00000
     22       1.2804      2.00000
     23       1.3871      2.00000
     24       1.4075      2.00000
     25       1.4223      2.00000
     26       1.4924      2.00000
     27       1.5285      2.00000
     28       1.6621      2.00000
     29       1.6977      2.00000
     30       1.7491      2.00000
     31       1.8159      2.00000
     32       1.9252      2.00000
     33       1.9638      2.00000
     34       2.0757      2.00000
     35       2.1582      2.00000
     36       2.1771      2.00000
     37       2.1993      2.00000
     38       2.2904      2.00000
     39       2.3305      2.00000
     40       2.3806      2.00000
     41       2.4776      2.00000
     42       2.4921      2.00000
     43       2.5617      2.00000
     44       2.6516      2.00000
     45       2.6911      2.00000
     46       2.7705      2.00000
     47       2.8178      2.00000
     48       2.8587      2.00000
     49       2.9369      2.00000
     50       3.0787      2.00000
     51       3.1812      2.00000
     52       3.2844      2.00000
     53       3.3805      2.00000
     54       3.5714      2.00000
     55       3.6570      2.00000
     56       3.8363      2.00000
     57       4.1618      2.00000
     58       4.3029      2.00000
     59       5.1509      2.00000
     60       5.8781      1.96675
     61       6.0800      0.61556
     62       6.1729      0.08096
     63       6.8406     -0.00000
     64       7.0855     -0.00000
     65       7.7027     -0.00000
     66       8.2397     -0.00000
     67       8.5084     -0.00000
     68       8.8556     -0.00000
     69       9.5118     -0.00000
     70       9.8149     -0.00000
     71      10.5550     -0.00000
     72      10.9675     -0.00000
     73      11.1927     -0.00000
     74      11.7991      0.00000
     75      12.3116      0.00000
     76      12.7750      0.00000
     77      13.4667      0.00000
     78      13.8187      0.00000
     79      13.9888      0.00000
     80      14.6729      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4312      2.00000
      9      -0.1627      2.00000
     10       0.0493      2.00000
     11       0.1504      2.00000
     12       0.5158      2.00000
     13       0.5398      2.00000
     14       0.7138      2.00000
     15       0.7537      2.00000
     16       0.8874      2.00000
     17       0.9259      2.00000
     18       1.0049      2.00000
     19       1.0840      2.00000
     20       1.1023      2.00000
     21       1.2577      2.00000
     22       1.2913      2.00000
     23       1.3424      2.00000
     24       1.4002      2.00000
     25       1.4092      2.00000
     26       1.4626      2.00000
     27       1.5055      2.00000
     28       1.6823      2.00000
     29       1.7187      2.00000
     30       1.7608      2.00000
     31       1.8162      2.00000
     32       1.8925      2.00000
     33       1.9185      2.00000
     34       2.0533      2.00000
     35       2.0923      2.00000
     36       2.1584      2.00000
     37       2.1762      2.00000
     38       2.2433      2.00000
     39       2.3501      2.00000
     40       2.4567      2.00000
     41       2.4782      2.00000
     42       2.5549      2.00000
     43       2.5963      2.00000
     44       2.6381      2.00000
     45       2.6948      2.00000
     46       2.7487      2.00000
     47       2.8247      2.00000
     48       2.8642      2.00000
     49       2.9239      2.00000
     50       3.1163      2.00000
     51       3.1985      2.00000
     52       3.2231      2.00000
     53       3.5314      2.00000
     54       3.5663      2.00000
     55       3.7594      2.00000
     56       4.2143      2.00000
     57       4.4058      2.00000
     58       4.5854      2.00000
     59       4.7356      2.00000
     60       5.1917      2.00000
     61       5.6148      2.01176
     62       6.1001      0.46719
     63       6.1319      0.26679
     64       7.1123     -0.00000
     65       8.2893     -0.00000
     66       8.4379     -0.00000
     67       8.9442     -0.00000
     68       9.2005     -0.00000
     69       9.3054     -0.00000
     70       9.9724     -0.00000
     71      10.4848     -0.00000
     72      10.6130     -0.00000
     73      11.3657     -0.00000
     74      11.9158      0.00000
     75      12.5845      0.00000
     76      13.2064      0.00000
     77      13.5734      0.00000
     78      13.9153      0.00000
     79      14.1630      0.00000
     80      14.4596      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.1496      2.00000
      9      -0.4624      2.00000
     10       0.0369      2.00000
     11       0.1606      2.00000
     12       0.5311      2.00000
     13       0.6059      2.00000
     14       0.6616      2.00000
     15       0.7001      2.00000
     16       0.8343      2.00000
     17       0.8476      2.00000
     18       0.8835      2.00000
     19       0.9754      2.00000
     20       1.1026      2.00000
     21       1.1450      2.00000
     22       1.1989      2.00000
     23       1.2236      2.00000
     24       1.3174      2.00000
     25       1.3574      2.00000
     26       1.4089      2.00000
     27       1.4597      2.00000
     28       1.4920      2.00000
     29       1.6501      2.00000
     30       1.7522      2.00000
     31       1.7756      2.00000
     32       1.8526      2.00000
     33       1.9168      2.00000
     34       1.9742      2.00000
     35       2.0690      2.00000
     36       2.1730      2.00000
     37       2.2321      2.00000
     38       2.3098      2.00000
     39       2.3719      2.00000
     40       2.4543      2.00000
     41       2.5310      2.00000
     42       2.5712      2.00000
     43       2.6176      2.00000
     44       2.6743      2.00000
     45       2.7877      2.00000
     46       2.8052      2.00000
     47       2.8897      2.00000
     48       2.9008      2.00000
     49       3.0596      2.00000
     50       3.1058      2.00000
     51       3.1498      2.00000
     52       3.2334      2.00000
     53       3.3393      2.00000
     54       3.5465      2.00000
     55       3.7157      2.00000
     56       4.1133      2.00000
     57       4.4628      2.00000
     58       4.8659      2.00000
     59       5.5024      2.00113
     60       5.7049      2.04235
     61       6.0946      0.50635
     62       6.3854     -0.03191
     63       6.9959     -0.00000
     64       7.2114     -0.00000
     65       7.5953     -0.00000
     66       8.2178     -0.00000
     67       9.0545     -0.00000
     68       9.3037     -0.00000
     69      10.2669     -0.00000
     70      11.0551     -0.00000
     71      11.3519     -0.00000
     72      11.7219      0.00000
     73      12.1358      0.00000
     74      12.3817      0.00000
     75      12.7885      0.00000
     76      13.4254      0.00000
     77      13.6377      0.00000
     78      13.9268      0.00000
     79      14.3036      0.00000
     80      14.4375      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6322      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.7436      2.00000
      9      -0.6138      2.00000
     10       0.0547      2.00000
     11       0.1884      2.00000
     12       0.3440      2.00000
     13       0.3493      2.00000
     14       0.4229      2.00000
     15       0.6389      2.00000
     16       0.6568      2.00000
     17       0.7493      2.00000
     18       0.8284      2.00000
     19       0.9021      2.00000
     20       0.9226      2.00000
     21       1.0726      2.00000
     22       1.0829      2.00000
     23       1.1612      2.00000
     24       1.2312      2.00000
     25       1.2916      2.00000
     26       1.3126      2.00000
     27       1.3453      2.00000
     28       1.4804      2.00000
     29       1.6772      2.00000
     30       1.6955      2.00000
     31       1.7834      2.00000
     32       1.8467      2.00000
     33       1.9091      2.00000
     34       1.9347      2.00000
     35       2.0957      2.00000
     36       2.1729      2.00000
     37       2.2891      2.00000
     38       2.3398      2.00000
     39       2.3958      2.00000
     40       2.5008      2.00000
     41       2.5369      2.00000
     42       2.6277      2.00000
     43       2.7526      2.00000
     44       2.8106      2.00000
     45       2.8400      2.00000
     46       2.8844      2.00000
     47       2.9460      2.00000
     48       3.0410      2.00000
     49       3.1112      2.00000
     50       3.1452      2.00000
     51       3.2201      2.00000
     52       3.2790      2.00000
     53       3.4514      2.00000
     54       3.6911      2.00000
     55       3.8081      2.00000
     56       3.9593      2.00000
     57       4.1333      2.00000
     58       4.8663      2.00000
     59       5.0759      2.00000
     60       5.5861      2.00696
     61       6.7164     -0.00002
     62       7.2059     -0.00000
     63       7.7431     -0.00000
     64       8.2395     -0.00000
     65       8.7841     -0.00000
     66       8.9998     -0.00000
     67       9.4141     -0.00000
     68      10.2200     -0.00000
     69      10.7942     -0.00000
     70      10.8426     -0.00000
     71      11.4409     -0.00000
     72      12.5003      0.00000
     73      12.8976      0.00000
     74      13.1223      0.00000
     75      13.2950      0.00000
     76      13.4494      0.00000
     77      13.8206      0.00000
     78      13.9013      0.00000
     79      14.3087      0.00000
     80      14.4301      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8980      2.00000
      2     -39.8909      2.00000
      3     -39.7799      2.00000
      4     -39.6326      2.00000
      5     -39.6321      2.00000
      6     -39.5790      2.00000
      7     -39.5642      2.00000
      8      -1.8485      2.00000
      9      -0.8821      2.00000
     10      -0.0184      2.00000
     11       0.1742      2.00000
     12       0.2218      2.00000
     13       0.3125      2.00000
     14       0.4390      2.00000
     15       0.5959      2.00000
     16       0.6263      2.00000
     17       0.6393      2.00000
     18       0.7034      2.00000
     19       0.7888      2.00000
     20       0.8553      2.00000
     21       0.9495      2.00000
     22       1.0498      2.00000
     23       1.0915      2.00000
     24       1.2639      2.00000
     25       1.3089      2.00000
     26       1.4114      2.00000
     27       1.4365      2.00000
     28       1.6044      2.00000
     29       1.6219      2.00000
     30       1.6603      2.00000
     31       1.7175      2.00000
     32       1.8147      2.00000
     33       1.8950      2.00000
     34       1.9556      2.00000
     35       2.1728      2.00000
     36       2.2363      2.00000
     37       2.2388      2.00000
     38       2.3029      2.00000
     39       2.4516      2.00000
     40       2.5146      2.00000
     41       2.6381      2.00000
     42       2.6767      2.00000
     43       2.6860      2.00000
     44       2.8231      2.00000
     45       2.8522      2.00000
     46       2.8965      2.00000
     47       2.9266      2.00000
     48       3.0719      2.00000
     49       3.1241      2.00000
     50       3.1665      2.00000
     51       3.3352      2.00000
     52       3.3806      2.00000
     53       3.4677      2.00000
     54       3.6481      2.00000
     55       3.9731      2.00000
     56       4.2367      2.00000
     57       4.2428      2.00000
     58       4.3717      2.00000
     59       4.8879      2.00000
     60       6.3175     -0.06189
     61       6.5000     -0.00470
     62       6.9703     -0.00000
     63       7.2789     -0.00000
     64       8.8103     -0.00000
     65       9.5685     -0.00000
     66       9.7137     -0.00000
     67       9.9029     -0.00000
     68      11.0219     -0.00000
     69      11.1896     -0.00000
     70      11.2756     -0.00000
     71      11.5036      0.00000
     72      12.3243      0.00000
     73      12.7123      0.00000
     74      13.1509      0.00000
     75      13.4152      0.00000
     76      13.5667      0.00000
     77      13.8410      0.00000
     78      14.0345      0.00000
     79      14.3058      0.00000
     80      14.5440      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.5679      2.00000
      9      -0.8030      2.00000
     10      -0.1328      2.00000
     11       0.2348      2.00000
     12       0.2771      2.00000
     13       0.4397      2.00000
     14       0.5161      2.00000
     15       0.5867      2.00000
     16       0.6356      2.00000
     17       0.7043      2.00000
     18       0.7990      2.00000
     19       0.9019      2.00000
     20       0.9738      2.00000
     21       0.9967      2.00000
     22       1.0678      2.00000
     23       1.1669      2.00000
     24       1.2273      2.00000
     25       1.3079      2.00000
     26       1.3863      2.00000
     27       1.4110      2.00000
     28       1.5427      2.00000
     29       1.5773      2.00000
     30       1.6326      2.00000
     31       1.6857      2.00000
     32       1.9008      2.00000
     33       1.9781      2.00000
     34       2.0336      2.00000
     35       2.1688      2.00000
     36       2.2014      2.00000
     37       2.2788      2.00000
     38       2.3255      2.00000
     39       2.3742      2.00000
     40       2.4002      2.00000
     41       2.4568      2.00000
     42       2.6639      2.00000
     43       2.6833      2.00000
     44       2.7872      2.00000
     45       2.8026      2.00000
     46       2.8555      2.00000
     47       2.9970      2.00000
     48       3.0249      2.00000
     49       3.1293      2.00000
     50       3.1893      2.00000
     51       3.2074      2.00000
     52       3.3187      2.00000
     53       3.4712      2.00000
     54       3.6577      2.00000
     55       3.7158      2.00000
     56       3.9031      2.00000
     57       4.4569      2.00000
     58       4.9335      2.00000
     59       5.5457      2.00305
     60       5.8785      1.96575
     61       6.5575     -0.00132
     62       7.0483     -0.00000
     63       7.5341     -0.00000
     64       8.0809     -0.00000
     65       8.3661     -0.00000
     66       8.9334     -0.00000
     67       9.4023     -0.00000
     68       9.6615     -0.00000
     69      10.4786     -0.00000
     70      12.0115      0.00000
     71      12.3372      0.00000
     72      12.4178      0.00000
     73      12.6083      0.00000
     74      12.7399      0.00000
     75      12.8996      0.00000
     76      13.3403      0.00000
     77      13.6259      0.00000
     78      13.9618      0.00000
     79      14.0123      0.00000
     80      14.4468      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5670      2.00000
      8      -1.0136      2.00000
      9      -0.3709      2.00000
     10      -0.1214      2.00000
     11       0.3338      2.00000
     12       0.4070      2.00000
     13       0.5090      2.00000
     14       0.5460      2.00000
     15       0.6874      2.00000
     16       0.7932      2.00000
     17       0.8276      2.00000
     18       0.9449      2.00000
     19       0.9546      2.00000
     20       1.0367      2.00000
     21       1.0863      2.00000
     22       1.1768      2.00000
     23       1.2280      2.00000
     24       1.3203      2.00000
     25       1.3701      2.00000
     26       1.4269      2.00000
     27       1.4928      2.00000
     28       1.5633      2.00000
     29       1.6261      2.00000
     30       1.7644      2.00000
     31       1.8388      2.00000
     32       1.8976      2.00000
     33       1.9387      2.00000
     34       1.9984      2.00000
     35       2.0482      2.00000
     36       2.0942      2.00000
     37       2.1475      2.00000
     38       2.2243      2.00000
     39       2.3230      2.00000
     40       2.4748      2.00000
     41       2.5117      2.00000
     42       2.5768      2.00000
     43       2.6312      2.00000
     44       2.6975      2.00000
     45       2.8079      2.00000
     46       2.8345      2.00000
     47       2.8875      2.00000
     48       2.9395      2.00000
     49       2.9905      2.00000
     50       3.0977      2.00000
     51       3.1850      2.00000
     52       3.2621      2.00000
     53       3.2959      2.00000
     54       3.4855      2.00000
     55       3.6217      2.00000
     56       4.0136      2.00000
     57       4.4918      2.00000
     58       5.2716      2.00000
     59       5.6983      2.03937
     60       5.9227      1.79488
     61       6.3049     -0.06635
     62       6.5532     -0.00146
     63       6.7236     -0.00001
     64       7.4508     -0.00000
     65       7.6907     -0.00000
     66       8.1168     -0.00000
     67       9.1454     -0.00000
     68       9.8233     -0.00000
     69       9.9715     -0.00000
     70      10.1717     -0.00000
     71      11.1102     -0.00000
     72      11.2170     -0.00000
     73      11.8244      0.00000
     74      12.0906      0.00000
     75      12.4303      0.00000
     76      12.8271      0.00000
     77      13.3349      0.00000
     78      13.7016      0.00000
     79      14.1096      0.00000
     80      14.4858      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3776      2.00000
      9      -0.0682      2.00000
     10       0.0781      2.00000
     11       0.1585      2.00000
     12       0.4242      2.00000
     13       0.5305      2.00000
     14       0.6191      2.00000
     15       0.7282      2.00000
     16       0.8654      2.00000
     17       0.9166      2.00000
     18       0.9275      2.00000
     19       1.1093      2.00000
     20       1.1635      2.00000
     21       1.1995      2.00000
     22       1.2573      2.00000
     23       1.3268      2.00000
     24       1.4096      2.00000
     25       1.4764      2.00000
     26       1.5042      2.00000
     27       1.6102      2.00000
     28       1.6843      2.00000
     29       1.7249      2.00000
     30       1.7448      2.00000
     31       1.8512      2.00000
     32       1.8926      2.00000
     33       1.9736      2.00000
     34       1.9912      2.00000
     35       2.0827      2.00000
     36       2.1310      2.00000
     37       2.2434      2.00000
     38       2.3142      2.00000
     39       2.3596      2.00000
     40       2.3989      2.00000
     41       2.4687      2.00000
     42       2.5228      2.00000
     43       2.5381      2.00000
     44       2.6390      2.00000
     45       2.7062      2.00000
     46       2.7453      2.00000
     47       2.8068      2.00000
     48       2.8580      2.00000
     49       2.8835      2.00000
     50       3.0850      2.00000
     51       3.1563      2.00000
     52       3.2849      2.00000
     53       3.3411      2.00000
     54       3.4938      2.00000
     55       3.6027      2.00000
     56       3.7474      2.00000
     57       4.4271      2.00000
     58       4.7811      2.00000
     59       5.1447      2.00000
     60       5.6794      2.03131
     61       5.9451      1.67118
     62       6.2242     -0.03963
     63       6.5482     -0.00165
     64       6.7583     -0.00000
     65       7.7544     -0.00000
     66       8.0705     -0.00000
     67       8.5468     -0.00000
     68       9.3106     -0.00000
     69       9.7450     -0.00000
     70      10.2167     -0.00000
     71      10.8545     -0.00000
     72      11.0050     -0.00000
     73      11.4145     -0.00000
     74      11.6545      0.00000
     75      12.1826      0.00000
     76      12.5182      0.00000
     77      13.1610      0.00000
     78      13.4336      0.00000
     79      14.0268      0.00000
     80      14.3431      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6323      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4289      2.00000
      9      -0.1355      2.00000
     10      -0.0291      2.00000
     11       0.1473      2.00000
     12       0.5614      2.00000
     13       0.6801      2.00000
     14       0.7119      2.00000
     15       0.7417      2.00000
     16       0.8086      2.00000
     17       0.8958      2.00000
     18       0.9658      2.00000
     19       1.1003      2.00000
     20       1.1196      2.00000
     21       1.1526      2.00000
     22       1.2746      2.00000
     23       1.3504      2.00000
     24       1.3796      2.00000
     25       1.4026      2.00000
     26       1.5556      2.00000
     27       1.5956      2.00000
     28       1.6821      2.00000
     29       1.7275      2.00000
     30       1.7776      2.00000
     31       1.8264      2.00000
     32       1.8702      2.00000
     33       1.9738      2.00000
     34       2.0075      2.00000
     35       2.1066      2.00000
     36       2.1752      2.00000
     37       2.2502      2.00000
     38       2.3350      2.00000
     39       2.3511      2.00000
     40       2.4646      2.00000
     41       2.4804      2.00000
     42       2.5063      2.00000
     43       2.5373      2.00000
     44       2.5808      2.00000
     45       2.5925      2.00000
     46       2.7381      2.00000
     47       2.7727      2.00000
     48       2.8266      2.00000
     49       2.8949      2.00000
     50       3.1420      2.00000
     51       3.1774      2.00000
     52       3.3045      2.00000
     53       3.5206      2.00000
     54       3.5861      2.00000
     55       3.6604      2.00000
     56       4.0752      2.00000
     57       4.4226      2.00000
     58       4.5218      2.00000
     59       5.0262      2.00000
     60       5.1620      2.00000
     61       5.8355      2.04770
     62       6.1542      0.15515
     63       6.5224     -0.00293
     64       7.1853     -0.00000
     65       7.2818     -0.00000
     66       7.7631     -0.00000
     67       8.3288     -0.00000
     68       9.5967     -0.00000
     69      10.0053     -0.00000
     70      10.6061     -0.00000
     71      11.0634     -0.00000
     72      11.3079     -0.00000
     73      11.8221      0.00000
     74      12.0565      0.00000
     75      12.2685      0.00000
     76      12.9065      0.00000
     77      13.1983      0.00000
     78      13.3391      0.00000
     79      14.1795      0.00000
     80      14.3222      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.1958      2.00000
      9      -0.3268      2.00000
     10      -0.0626      2.00000
     11       0.1153      2.00000
     12       0.5626      2.00000
     13       0.5891      2.00000
     14       0.6503      2.00000
     15       0.7258      2.00000
     16       0.8577      2.00000
     17       0.8923      2.00000
     18       0.9561      2.00000
     19       1.0223      2.00000
     20       1.0909      2.00000
     21       1.1254      2.00000
     22       1.1899      2.00000
     23       1.2560      2.00000
     24       1.2789      2.00000
     25       1.3348      2.00000
     26       1.3968      2.00000
     27       1.4076      2.00000
     28       1.5646      2.00000
     29       1.6870      2.00000
     30       1.7161      2.00000
     31       1.8256      2.00000
     32       1.9011      2.00000
     33       1.9414      2.00000
     34       2.0135      2.00000
     35       2.0288      2.00000
     36       2.0649      2.00000
     37       2.1719      2.00000
     38       2.2184      2.00000
     39       2.4082      2.00000
     40       2.4521      2.00000
     41       2.5065      2.00000
     42       2.5575      2.00000
     43       2.6276      2.00000
     44       2.6788      2.00000
     45       2.7772      2.00000
     46       2.8649      2.00000
     47       2.8973      2.00000
     48       2.9431      2.00000
     49       3.0379      2.00000
     50       3.0693      2.00000
     51       3.1176      2.00000
     52       3.2002      2.00000
     53       3.2991      2.00000
     54       3.5408      2.00000
     55       3.6660      2.00000
     56       4.0119      2.00000
     57       4.3456      2.00000
     58       5.3368      2.00001
     59       5.5017      2.00111
     60       5.6797      2.03145
     61       5.8485      2.03042
     62       6.6548     -0.00010
     63       6.9597     -0.00000
     64       7.4588     -0.00000
     65       7.8471     -0.00000
     66       7.9188     -0.00000
     67       8.4793     -0.00000
     68       9.7820     -0.00000
     69      10.0228     -0.00000
     70      10.4710     -0.00000
     71      11.7490      0.00000
     72      12.2688      0.00000
     73      12.5766      0.00000
     74      12.9057      0.00000
     75      13.1160      0.00000
     76      13.4199      0.00000
     77      13.4735      0.00000
     78      13.5818      0.00000
     79      13.8912      0.00000
     80      14.1657      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.7297      2.00000
      9      -0.6534      2.00000
     10       0.0262      2.00000
     11       0.2432      2.00000
     12       0.3340      2.00000
     13       0.3540      2.00000
     14       0.4209      2.00000
     15       0.6414      2.00000
     16       0.6519      2.00000
     17       0.7337      2.00000
     18       0.8258      2.00000
     19       0.8902      2.00000
     20       0.9736      2.00000
     21       1.0333      2.00000
     22       1.0984      2.00000
     23       1.1653      2.00000
     24       1.2426      2.00000
     25       1.2697      2.00000
     26       1.3475      2.00000
     27       1.4170      2.00000
     28       1.4532      2.00000
     29       1.6194      2.00000
     30       1.6949      2.00000
     31       1.7374      2.00000
     32       1.8357      2.00000
     33       1.8881      2.00000
     34       1.9665      2.00000
     35       2.1369      2.00000
     36       2.2104      2.00000
     37       2.2668      2.00000
     38       2.3182      2.00000
     39       2.4115      2.00000
     40       2.5258      2.00000
     41       2.5530      2.00000
     42       2.6208      2.00000
     43       2.7345      2.00000
     44       2.7721      2.00000
     45       2.8123      2.00000
     46       2.9003      2.00000
     47       2.9807      2.00000
     48       3.0125      2.00000
     49       3.1294      2.00000
     50       3.1741      2.00000
     51       3.2259      2.00000
     52       3.3028      2.00000
     53       3.4486      2.00000
     54       3.6433      2.00000
     55       3.7943      2.00000
     56       3.9635      2.00000
     57       4.1729      2.00000
     58       4.5300      2.00000
     59       5.2739      2.00000
     60       6.0789      0.62384
     61       6.6036     -0.00042
     62       7.0218     -0.00000
     63       7.8072     -0.00000
     64       8.0783     -0.00000
     65       8.4026     -0.00000
     66       8.7440     -0.00000
     67       9.7071     -0.00000
     68      10.4918     -0.00000
     69      10.9177     -0.00000
     70      11.0650     -0.00000
     71      11.3126     -0.00000
     72      12.5210      0.00000
     73      12.8800      0.00000
     74      13.0481      0.00000
     75      13.2032      0.00000
     76      13.5154      0.00000
     77      13.5991      0.00000
     78      13.9723      0.00000
     79      14.3733      0.00000
     80      14.4988      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8979      2.00000
      2     -39.8909      2.00000
      3     -39.7799      2.00000
      4     -39.6326      2.00000
      5     -39.6321      2.00000
      6     -39.5790      2.00000
      7     -39.5642      2.00000
      8      -1.8417      2.00000
      9      -0.9164      2.00000
     10       0.0531      2.00000
     11       0.1830      2.00000
     12       0.2140      2.00000
     13       0.3069      2.00000
     14       0.4323      2.00000
     15       0.6078      2.00000
     16       0.6284      2.00000
     17       0.6376      2.00000
     18       0.7037      2.00000
     19       0.7374      2.00000
     20       0.8580      2.00000
     21       0.9631      2.00000
     22       1.1006      2.00000
     23       1.1139      2.00000
     24       1.2153      2.00000
     25       1.2806      2.00000
     26       1.3626      2.00000
     27       1.3819      2.00000
     28       1.5645      2.00000
     29       1.6638      2.00000
     30       1.7071      2.00000
     31       1.7242      2.00000
     32       1.8164      2.00000
     33       1.8745      2.00000
     34       1.9072      2.00000
     35       2.1360      2.00000
     36       2.2284      2.00000
     37       2.2646      2.00000
     38       2.3931      2.00000
     39       2.4440      2.00000
     40       2.5431      2.00000
     41       2.5985      2.00000
     42       2.6351      2.00000
     43       2.6918      2.00000
     44       2.8597      2.00000
     45       2.8832      2.00000
     46       3.0016      2.00000
     47       3.0658      2.00000
     48       3.0696      2.00000
     49       3.1474      2.00000
     50       3.1988      2.00000
     51       3.2796      2.00000
     52       3.3289      2.00000
     53       3.5489      2.00000
     54       3.6583      2.00000
     55       3.9323      2.00000
     56       3.9596      2.00000
     57       4.2243      2.00000
     58       4.4189      2.00000
     59       5.0301      2.00000
     60       5.6451      2.01929
     61       6.2609     -0.06835
     62       7.7498     -0.00000
     63       8.2530     -0.00000
     64       8.6195     -0.00000
     65       8.6546     -0.00000
     66       9.7717     -0.00000
     67      10.3875     -0.00000
     68      10.6102     -0.00000
     69      10.8173     -0.00000
     70      11.2932     -0.00000
     71      11.7417      0.00000
     72      12.5036      0.00000
     73      12.7751      0.00000
     74      12.8335      0.00000
     75      13.1838      0.00000
     76      13.2732      0.00000
     77      13.7247      0.00000
     78      14.4464      0.00000
     79      14.5106      0.00000
     80      14.5591      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.6418      2.00000
      9      -0.6338      2.00000
     10      -0.1946      2.00000
     11       0.2583      2.00000
     12       0.3037      2.00000
     13       0.4466      2.00000
     14       0.4545      2.00000
     15       0.6022      2.00000
     16       0.6495      2.00000
     17       0.7428      2.00000
     18       0.7963      2.00000
     19       0.8898      2.00000
     20       0.9515      2.00000
     21       0.9964      2.00000
     22       1.0949      2.00000
     23       1.1574      2.00000
     24       1.1872      2.00000
     25       1.2633      2.00000
     26       1.3774      2.00000
     27       1.3875      2.00000
     28       1.5091      2.00000
     29       1.6380      2.00000
     30       1.6579      2.00000
     31       1.7580      2.00000
     32       1.8889      2.00000
     33       1.9066      2.00000
     34       2.0099      2.00000
     35       2.0884      2.00000
     36       2.1950      2.00000
     37       2.2496      2.00000
     38       2.3336      2.00000
     39       2.4142      2.00000
     40       2.4873      2.00000
     41       2.5827      2.00000
     42       2.6411      2.00000
     43       2.7336      2.00000
     44       2.7798      2.00000
     45       2.8366      2.00000
     46       2.8684      2.00000
     47       2.9414      2.00000
     48       3.0361      2.00000
     49       3.1009      2.00000
     50       3.1596      2.00000
     51       3.2340      2.00000
     52       3.2726      2.00000
     53       3.5604      2.00000
     54       3.6864      2.00000
     55       3.7570      2.00000
     56       3.8239      2.00000
     57       4.1021      2.00000
     58       4.9715      2.00000
     59       5.0905      2.00000
     60       5.8502      2.02772
     61       6.8167     -0.00000
     62       7.2153     -0.00000
     63       7.7749     -0.00000
     64       8.6981     -0.00000
     65       8.9460     -0.00000
     66       9.2061     -0.00000
     67       9.4770     -0.00000
     68       9.6333     -0.00000
     69       9.8035     -0.00000
     70      10.9964     -0.00000
     71      11.5741      0.00000
     72      12.1503      0.00000
     73      12.3419      0.00000
     74      12.4899      0.00000
     75      13.1787      0.00000
     76      13.3447      0.00000
     77      13.6937      0.00000
     78      14.1057      0.00000
     79      14.4281      0.00000
     80      14.5635      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5670      2.00000
      8      -1.0624      2.00000
      9      -0.2539      2.00000
     10      -0.1953      2.00000
     11       0.2744      2.00000
     12       0.4390      2.00000
     13       0.5376      2.00000
     14       0.5730      2.00000
     15       0.6963      2.00000
     16       0.8028      2.00000
     17       0.8502      2.00000
     18       0.9248      2.00000
     19       1.0210      2.00000
     20       1.1078      2.00000
     21       1.1132      2.00000
     22       1.1559      2.00000
     23       1.2129      2.00000
     24       1.2451      2.00000
     25       1.2946      2.00000
     26       1.3697      2.00000
     27       1.5095      2.00000
     28       1.5952      2.00000
     29       1.6505      2.00000
     30       1.6750      2.00000
     31       1.8347      2.00000
     32       1.8532      2.00000
     33       2.0097      2.00000
     34       2.0161      2.00000
     35       2.0767      2.00000
     36       2.1858      2.00000
     37       2.2177      2.00000
     38       2.2605      2.00000
     39       2.3117      2.00000
     40       2.3826      2.00000
     41       2.5246      2.00000
     42       2.6410      2.00000
     43       2.6689      2.00000
     44       2.7354      2.00000
     45       2.7734      2.00000
     46       2.8146      2.00000
     47       2.8564      2.00000
     48       2.9415      2.00000
     49       2.9721      2.00000
     50       3.1103      2.00000
     51       3.1339      2.00000
     52       3.2255      2.00000
     53       3.4273      2.00000
     54       3.5103      2.00000
     55       3.6004      2.00000
     56       3.7003      2.00000
     57       4.4310      2.00000
     58       4.8160      2.00000
     59       5.4372      2.00021
     60       5.9996      1.27917
     61       6.6158     -0.00030
     62       6.9696     -0.00000
     63       7.0373     -0.00000
     64       7.3538     -0.00000
     65       8.2811     -0.00000
     66       8.5288     -0.00000
     67       8.8296     -0.00000
     68       9.3694     -0.00000
     69      10.0032     -0.00000
     70      10.2167     -0.00000
     71      10.3687     -0.00000
     72      11.1040     -0.00000
     73      11.7913      0.00000
     74      12.1709      0.00000
     75      12.3192      0.00000
     76      13.0012      0.00000
     77      13.8050      0.00000
     78      13.8580      0.00000
     79      14.1446      0.00000
     80      14.2694      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6323      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3515      2.00000
      9      -0.1262      2.00000
     10       0.0888      2.00000
     11       0.1602      2.00000
     12       0.4685      2.00000
     13       0.5786      2.00000
     14       0.6484      2.00000
     15       0.7026      2.00000
     16       0.7522      2.00000
     17       0.9042      2.00000
     18       0.9616      2.00000
     19       1.0780      2.00000
     20       1.1609      2.00000
     21       1.1952      2.00000
     22       1.2268      2.00000
     23       1.3365      2.00000
     24       1.3934      2.00000
     25       1.4866      2.00000
     26       1.5480      2.00000
     27       1.5812      2.00000
     28       1.6503      2.00000
     29       1.7226      2.00000
     30       1.7973      2.00000
     31       1.8627      2.00000
     32       1.9225      2.00000
     33       1.9535      2.00000
     34       2.1013      2.00000
     35       2.1598      2.00000
     36       2.1697      2.00000
     37       2.2591      2.00000
     38       2.2744      2.00000
     39       2.3462      2.00000
     40       2.3876      2.00000
     41       2.4292      2.00000
     42       2.5285      2.00000
     43       2.5823      2.00000
     44       2.6090      2.00000
     45       2.6281      2.00000
     46       2.6982      2.00000
     47       2.7887      2.00000
     48       2.8055      2.00000
     49       2.8886      2.00000
     50       3.0854      2.00000
     51       3.1436      2.00000
     52       3.2015      2.00000
     53       3.3762      2.00000
     54       3.5469      2.00000
     55       3.6407      2.00000
     56       3.9043      2.00000
     57       4.3893      2.00000
     58       4.7450      2.00000
     59       5.1113      2.00000
     60       5.6464      2.01970
     61       5.7066      2.04312
     62       6.1948      0.01583
     63       6.6569     -0.00009
     64       7.0178     -0.00000
     65       7.5274     -0.00000
     66       7.8898     -0.00000
     67       9.0262     -0.00000
     68       9.6102     -0.00000
     69       9.9119     -0.00000
     70      10.1048     -0.00000
     71      10.5263     -0.00000
     72      10.7430     -0.00000
     73      11.1308     -0.00000
     74      11.6571      0.00000
     75      12.2822      0.00000
     76      13.0242      0.00000
     77      13.2182      0.00000
     78      13.9228      0.00000
     79      13.9327      0.00000
     80      14.0889      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8934      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4368      2.00000
      9      -0.1323      2.00000
     10       0.0033      2.00000
     11       0.1421      2.00000
     12       0.5488      2.00000
     13       0.5869      2.00000
     14       0.6564      2.00000
     15       0.7659      2.00000
     16       0.8762      2.00000
     17       0.9633      2.00000
     18       1.0164      2.00000
     19       1.0672      2.00000
     20       1.1248      2.00000
     21       1.1839      2.00000
     22       1.2344      2.00000
     23       1.3281      2.00000
     24       1.4063      2.00000
     25       1.4883      2.00000
     26       1.5150      2.00000
     27       1.5644      2.00000
     28       1.6142      2.00000
     29       1.7271      2.00000
     30       1.7686      2.00000
     31       1.8079      2.00000
     32       1.9078      2.00000
     33       1.9694      2.00000
     34       1.9841      2.00000
     35       2.0656      2.00000
     36       2.1946      2.00000
     37       2.2053      2.00000
     38       2.3021      2.00000
     39       2.3376      2.00000
     40       2.3687      2.00000
     41       2.4878      2.00000
     42       2.5102      2.00000
     43       2.5962      2.00000
     44       2.6309      2.00000
     45       2.6933      2.00000
     46       2.7873      2.00000
     47       2.8143      2.00000
     48       2.8279      2.00000
     49       2.9134      2.00000
     50       3.1390      2.00000
     51       3.1936      2.00000
     52       3.2468      2.00000
     53       3.5274      2.00000
     54       3.5858      2.00000
     55       3.6999      2.00000
     56       3.8854      2.00000
     57       4.4494      2.00000
     58       4.6046      2.00000
     59       5.0052      2.00000
     60       5.4326      2.00018
     61       5.7527      2.06338
     62       5.8440      2.03713
     63       6.7226     -0.00001
     64       7.0045     -0.00000
     65       7.3157     -0.00000
     66       7.5476     -0.00000
     67       9.0480     -0.00000
     68       9.4086     -0.00000
     69      10.1325     -0.00000
     70      10.5562     -0.00000
     71      10.9164     -0.00000
     72      11.2322     -0.00000
     73      11.4387     -0.00000
     74      11.7289      0.00000
     75      12.0198      0.00000
     76      12.6738      0.00000
     77      13.4949      0.00000
     78      13.6191      0.00000
     79      14.1193      0.00000
     80      14.1849      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.1227      2.00000
      9      -0.5234      2.00000
     10       0.1227      2.00000
     11       0.1394      2.00000
     12       0.5173      2.00000
     13       0.6016      2.00000
     14       0.6625      2.00000
     15       0.7022      2.00000
     16       0.8097      2.00000
     17       0.8351      2.00000
     18       0.8591      2.00000
     19       0.9530      2.00000
     20       1.1100      2.00000
     21       1.1507      2.00000
     22       1.1916      2.00000
     23       1.2185      2.00000
     24       1.3304      2.00000
     25       1.3828      2.00000
     26       1.4158      2.00000
     27       1.4583      2.00000
     28       1.5279      2.00000
     29       1.5795      2.00000
     30       1.7038      2.00000
     31       1.7496      2.00000
     32       1.8895      2.00000
     33       1.9302      2.00000
     34       1.9875      2.00000
     35       2.1330      2.00000
     36       2.1770      2.00000
     37       2.2497      2.00000
     38       2.2985      2.00000
     39       2.3641      2.00000
     40       2.4376      2.00000
     41       2.5275      2.00000
     42       2.5841      2.00000
     43       2.6771      2.00000
     44       2.7064      2.00000
     45       2.7845      2.00000
     46       2.8182      2.00000
     47       2.8628      2.00000
     48       2.9211      2.00000
     49       2.9737      2.00000
     50       3.0947      2.00000
     51       3.1357      2.00000
     52       3.2295      2.00000
     53       3.3652      2.00000
     54       3.5282      2.00000
     55       3.7172      2.00000
     56       4.1412      2.00000
     57       4.6061      2.00000
     58       5.0035      2.00000
     59       5.3665      2.00003
     60       5.6935      2.03727
     61       6.0395      0.94653
     62       6.2342     -0.05129
     63       6.7196     -0.00001
     64       7.1920     -0.00000
     65       7.6652     -0.00000
     66       8.7893     -0.00000
     67       8.9290     -0.00000
     68       9.3777     -0.00000
     69      10.4070     -0.00000
     70      10.6165     -0.00000
     71      11.0666     -0.00000
     72      11.6553      0.00000
     73      12.2276      0.00000
     74      12.5147      0.00000
     75      12.8500      0.00000
     76      13.3702      0.00000
     77      13.6041      0.00000
     78      14.1019      0.00000
     79      14.2411      0.00000
     80      14.4966      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5650      2.00000
      8      -1.6428      2.00000
      9      -0.8752      2.00000
     10       0.1545      2.00000
     11       0.2706      2.00000
     12       0.3234      2.00000
     13       0.3360      2.00000
     14       0.4168      2.00000
     15       0.6323      2.00000
     16       0.6581      2.00000
     17       0.6810      2.00000
     18       0.7680      2.00000
     19       0.8691      2.00000
     20       0.9506      2.00000
     21       1.0717      2.00000
     22       1.1375      2.00000
     23       1.1930      2.00000
     24       1.2320      2.00000
     25       1.2889      2.00000
     26       1.3899      2.00000
     27       1.4082      2.00000
     28       1.4920      2.00000
     29       1.6048      2.00000
     30       1.7051      2.00000
     31       1.7546      2.00000
     32       1.8563      2.00000
     33       1.8667      2.00000
     34       2.0425      2.00000
     35       2.1725      2.00000
     36       2.2029      2.00000
     37       2.2407      2.00000
     38       2.2736      2.00000
     39       2.3823      2.00000
     40       2.4538      2.00000
     41       2.5225      2.00000
     42       2.6397      2.00000
     43       2.6678      2.00000
     44       2.7937      2.00000
     45       2.8397      2.00000
     46       2.8907      2.00000
     47       2.9641      2.00000
     48       3.0061      2.00000
     49       3.1317      2.00000
     50       3.1954      2.00000
     51       3.2272      2.00000
     52       3.3100      2.00000
     53       3.4963      2.00000
     54       3.7286      2.00000
     55       3.9494      2.00000
     56       3.9743      2.00000
     57       4.2101      2.00000
     58       4.6080      2.00000
     59       5.0845      2.00000
     60       5.6737      2.02909
     61       6.7927     -0.00000
     62       7.3748     -0.00000
     63       7.6904     -0.00000
     64       8.2813     -0.00000
     65       8.4832     -0.00000
     66       8.5725     -0.00000
     67       9.0104     -0.00000
     68       9.2285     -0.00000
     69      11.3659     -0.00000
     70      12.1474      0.00000
     71      12.4542      0.00000
     72      12.6924      0.00000
     73      12.8247      0.00000
     74      13.1499      0.00000
     75      13.2930      0.00000
     76      13.5570      0.00000
     77      13.7250      0.00000
     78      13.8005      0.00000
     79      13.9085      0.00000
     80      14.0926      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8979      2.00000
      2     -39.8909      2.00000
      3     -39.7799      2.00000
      4     -39.6326      2.00000
      5     -39.6321      2.00000
      6     -39.5790      2.00000
      7     -39.5642      2.00000
      8      -1.6476      2.00000
      9      -0.7673      2.00000
     10      -0.5799      2.00000
     11       0.0912      2.00000
     12       0.2793      2.00000
     13       0.3903      2.00000
     14       0.4092      2.00000
     15       0.5654      2.00000
     16       0.6459      2.00000
     17       0.7548      2.00000
     18       0.7570      2.00000
     19       0.8468      2.00000
     20       0.9048      2.00000
     21       0.9358      2.00000
     22       1.0598      2.00000
     23       1.1179      2.00000
     24       1.1447      2.00000
     25       1.2441      2.00000
     26       1.3358      2.00000
     27       1.3682      2.00000
     28       1.5019      2.00000
     29       1.6137      2.00000
     30       1.6291      2.00000
     31       1.7924      2.00000
     32       1.9126      2.00000
     33       1.9223      2.00000
     34       2.1070      2.00000
     35       2.1601      2.00000
     36       2.2367      2.00000
     37       2.3638      2.00000
     38       2.4537      2.00000
     39       2.4767      2.00000
     40       2.4826      2.00000
     41       2.5586      2.00000
     42       2.6304      2.00000
     43       2.6940      2.00000
     44       2.7150      2.00000
     45       2.8289      2.00000
     46       2.8824      2.00000
     47       2.9656      2.00000
     48       2.9902      2.00000
     49       3.1677      2.00000
     50       3.2439      2.00000
     51       3.3308      2.00000
     52       3.3592      2.00000
     53       3.4583      2.00000
     54       3.5489      2.00000
     55       3.7274      2.00000
     56       3.7618      2.00000
     57       4.0042      2.00000
     58       4.2077      2.00000
     59       5.8244      2.05817
     60       7.2724     -0.00000
     61       7.4161     -0.00000
     62       7.4825     -0.00000
     63       7.7760     -0.00000
     64       8.3065     -0.00000
     65       8.7677     -0.00000
     66       9.3093     -0.00000
     67       9.9162     -0.00000
     68      10.5151     -0.00000
     69      10.6779     -0.00000
     70      11.2087     -0.00000
     71      11.2555     -0.00000
     72      11.4424     -0.00000
     73      12.4490      0.00000
     74      12.9810      0.00000
     75      13.1730      0.00000
     76      13.1892      0.00000
     77      13.4222      0.00000
     78      13.8876      0.00000
     79      13.8975      0.00000
     80      14.6343      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8975      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.3792      2.00000
      9      -0.7607      2.00000
     10      -0.3892      2.00000
     11       0.1326      2.00000
     12       0.2065      2.00000
     13       0.4862      2.00000
     14       0.5512      2.00000
     15       0.6412      2.00000
     16       0.6607      2.00000
     17       0.7578      2.00000
     18       0.7742      2.00000
     19       0.9332      2.00000
     20       0.9689      2.00000
     21       1.0064      2.00000
     22       1.0106      2.00000
     23       1.1163      2.00000
     24       1.1805      2.00000
     25       1.2014      2.00000
     26       1.3441      2.00000
     27       1.3677      2.00000
     28       1.5721      2.00000
     29       1.6293      2.00000
     30       1.7408      2.00000
     31       1.7770      2.00000
     32       1.8437      2.00000
     33       1.9781      2.00000
     34       2.0304      2.00000
     35       2.0601      2.00000
     36       2.1632      2.00000
     37       2.2935      2.00000
     38       2.2975      2.00000
     39       2.3745      2.00000
     40       2.5356      2.00000
     41       2.5707      2.00000
     42       2.6589      2.00000
     43       2.7194      2.00000
     44       2.7554      2.00000
     45       2.8131      2.00000
     46       2.9061      2.00000
     47       2.9352      2.00000
     48       3.0259      2.00000
     49       3.1191      2.00000
     50       3.1663      2.00000
     51       3.2430      2.00000
     52       3.3667      2.00000
     53       3.3856      2.00000
     54       3.5800      2.00000
     55       3.7978      2.00000
     56       3.8577      2.00000
     57       4.0017      2.00000
     58       4.2412      2.00000
     59       6.2160     -0.02754
     60       6.5195     -0.00312
     61       7.4074     -0.00000
     62       7.7807     -0.00000
     63       7.9161     -0.00000
     64       8.3762     -0.00000
     65       8.5881     -0.00000
     66       8.8262     -0.00000
     67       8.8693     -0.00000
     68       9.6951     -0.00000
     69      10.2324     -0.00000
     70      10.6469     -0.00000
     71      10.7778     -0.00000
     72      11.1413     -0.00000
     73      11.9256      0.00000
     74      12.3297      0.00000
     75      12.6683      0.00000
     76      13.1947      0.00000
     77      13.6377      0.00000
     78      13.9727      0.00000
     79      14.2921      0.00000
     80      14.6792      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5764      2.00000
      7     -39.5670      2.00000
      8      -0.8932      2.00000
      9      -0.3698      2.00000
     10      -0.0233      2.00000
     11       0.0772      2.00000
     12       0.4569      2.00000
     13       0.5103      2.00000
     14       0.6126      2.00000
     15       0.7076      2.00000
     16       0.7677      2.00000
     17       0.7752      2.00000
     18       0.8395      2.00000
     19       0.9054      2.00000
     20       1.0143      2.00000
     21       1.0469      2.00000
     22       1.1699      2.00000
     23       1.2519      2.00000
     24       1.3042      2.00000
     25       1.3952      2.00000
     26       1.4321      2.00000
     27       1.5098      2.00000
     28       1.6263      2.00000
     29       1.6747      2.00000
     30       1.7353      2.00000
     31       1.7994      2.00000
     32       1.8511      2.00000
     33       1.9369      2.00000
     34       1.9955      2.00000
     35       2.0426      2.00000
     36       2.0829      2.00000
     37       2.2287      2.00000
     38       2.2689      2.00000
     39       2.3046      2.00000
     40       2.4188      2.00000
     41       2.5680      2.00000
     42       2.6334      2.00000
     43       2.6436      2.00000
     44       2.7220      2.00000
     45       2.7509      2.00000
     46       2.8482      2.00000
     47       2.8872      2.00000
     48       2.9169      2.00000
     49       2.9495      2.00000
     50       3.0522      2.00000
     51       3.1509      2.00000
     52       3.3208      2.00000
     53       3.3564      2.00000
     54       3.5005      2.00000
     55       3.5840      2.00000
     56       3.7698      2.00000
     57       4.4240      2.00000
     58       5.2437      2.00000
     59       5.3002      2.00000
     60       5.9611      1.56835
     61       7.0895     -0.00000
     62       7.2031     -0.00000
     63       7.3563     -0.00000
     64       7.4664     -0.00000
     65       8.1671     -0.00000
     66       8.4172     -0.00000
     67       8.6389     -0.00000
     68       9.0544     -0.00000
     69       9.3334     -0.00000
     70       9.8321     -0.00000
     71      10.8144     -0.00000
     72      11.0198     -0.00000
     73      11.3127     -0.00000
     74      11.6573      0.00000
     75      12.5303      0.00000
     76      13.1372      0.00000
     77      13.4206      0.00000
     78      13.6961      0.00000
     79      13.9558      0.00000
     80      14.1911      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3773      2.00000
      9      -0.0586      2.00000
     10       0.1168      2.00000
     11       0.1706      2.00000
     12       0.4690      2.00000
     13       0.5072      2.00000
     14       0.5635      2.00000
     15       0.6903      2.00000
     16       0.7971      2.00000
     17       0.9239      2.00000
     18       0.9569      2.00000
     19       1.1286      2.00000
     20       1.1822      2.00000
     21       1.2243      2.00000
     22       1.2493      2.00000
     23       1.3432      2.00000
     24       1.4258      2.00000
     25       1.4550      2.00000
     26       1.5070      2.00000
     27       1.5776      2.00000
     28       1.6386      2.00000
     29       1.6747      2.00000
     30       1.7328      2.00000
     31       1.8416      2.00000
     32       1.9218      2.00000
     33       1.9760      2.00000
     34       2.0467      2.00000
     35       2.1219      2.00000
     36       2.1327      2.00000
     37       2.2120      2.00000
     38       2.3079      2.00000
     39       2.3275      2.00000
     40       2.3684      2.00000
     41       2.4801      2.00000
     42       2.5389      2.00000
     43       2.5643      2.00000
     44       2.6417      2.00000
     45       2.7141      2.00000
     46       2.7521      2.00000
     47       2.8310      2.00000
     48       2.8530      2.00000
     49       2.9643      2.00000
     50       3.0900      2.00000
     51       3.1970      2.00000
     52       3.2997      2.00000
     53       3.3593      2.00000
     54       3.4824      2.00000
     55       3.6045      2.00000
     56       3.8019      2.00000
     57       4.0986      2.00000
     58       4.3076      2.00000
     59       5.4826      2.00070
     60       5.8676      1.99365
     61       6.0336      0.99601
     62       6.3408     -0.05183
     63       6.7567     -0.00000
     64       7.1655     -0.00000
     65       7.6440     -0.00000
     66       8.0837     -0.00000
     67       8.3340     -0.00000
     68       8.9193     -0.00000
     69       9.4456     -0.00000
     70      10.2751     -0.00000
     71      10.4595     -0.00000
     72      10.5762     -0.00000
     73      11.3448     -0.00000
     74      11.8721      0.00000
     75      12.2064      0.00000
     76      12.9636      0.00000
     77      13.0560      0.00000
     78      13.7089      0.00000
     79      14.0134      0.00000
     80      14.6722      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4336      2.00000
      9      -0.1312      2.00000
     10       0.0634      2.00000
     11       0.1459      2.00000
     12       0.5106      2.00000
     13       0.5445      2.00000
     14       0.6488      2.00000
     15       0.7248      2.00000
     16       0.9105      2.00000
     17       0.9337      2.00000
     18       1.0472      2.00000
     19       1.0934      2.00000
     20       1.1507      2.00000
     21       1.1955      2.00000
     22       1.2673      2.00000
     23       1.3097      2.00000
     24       1.4051      2.00000
     25       1.4317      2.00000
     26       1.4761      2.00000
     27       1.5195      2.00000
     28       1.6726      2.00000
     29       1.7090      2.00000
     30       1.7573      2.00000
     31       1.8090      2.00000
     32       1.8871      2.00000
     33       1.9323      2.00000
     34       2.0142      2.00000
     35       2.0910      2.00000
     36       2.1990      2.00000
     37       2.2242      2.00000
     38       2.2930      2.00000
     39       2.3644      2.00000
     40       2.3830      2.00000
     41       2.4601      2.00000
     42       2.5182      2.00000
     43       2.5658      2.00000
     44       2.6716      2.00000
     45       2.7059      2.00000
     46       2.7562      2.00000
     47       2.8283      2.00000
     48       2.8951      2.00000
     49       2.9218      2.00000
     50       3.1281      2.00000
     51       3.1827      2.00000
     52       3.2674      2.00000
     53       3.4876      2.00000
     54       3.5782      2.00000
     55       3.6176      2.00000
     56       3.9114      2.00000
     57       4.3473      2.00000
     58       4.8736      2.00000
     59       5.0161      2.00000
     60       5.2174      2.00000
     61       5.6265      2.01434
     62       5.8178      2.06276
     63       6.7532     -0.00000
     64       7.1823     -0.00000
     65       7.7342     -0.00000
     66       7.9116     -0.00000
     67       8.7241     -0.00000
     68       9.5163     -0.00000
     69       9.9861     -0.00000
     70      10.1512     -0.00000
     71      10.4983     -0.00000
     72      10.6104     -0.00000
     73      11.1581     -0.00000
     74      11.8369      0.00000
     75      12.2762      0.00000
     76      12.7474      0.00000
     77      13.6258      0.00000
     78      14.0915      0.00000
     79      14.3196      0.00000
     80      14.5383      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.0673      2.00000
      9      -0.3492      2.00000
     10      -0.1020      2.00000
     11       0.2831      2.00000
     12       0.4520      2.00000
     13       0.5265      2.00000
     14       0.5586      2.00000
     15       0.6982      2.00000
     16       0.7970      2.00000
     17       0.8554      2.00000
     18       0.9310      2.00000
     19       0.9634      2.00000
     20       1.0628      2.00000
     21       1.0952      2.00000
     22       1.1862      2.00000
     23       1.2316      2.00000
     24       1.2845      2.00000
     25       1.3408      2.00000
     26       1.4306      2.00000
     27       1.4701      2.00000
     28       1.5654      2.00000
     29       1.6237      2.00000
     30       1.7871      2.00000
     31       1.8309      2.00000
     32       1.8609      2.00000
     33       1.9814      2.00000
     34       2.0079      2.00000
     35       2.0642      2.00000
     36       2.1188      2.00000
     37       2.1452      2.00000
     38       2.2206      2.00000
     39       2.3435      2.00000
     40       2.4418      2.00000
     41       2.4813      2.00000
     42       2.6178      2.00000
     43       2.6652      2.00000
     44       2.6959      2.00000
     45       2.8022      2.00000
     46       2.8301      2.00000
     47       2.8844      2.00000
     48       2.9433      2.00000
     49       2.9927      2.00000
     50       3.0969      2.00000
     51       3.1421      2.00000
     52       3.2542      2.00000
     53       3.3343      2.00000
     54       3.4666      2.00000
     55       3.6392      2.00000
     56       4.0915      2.00000
     57       4.2851      2.00000
     58       5.1981      2.00000
     59       5.7667      2.06785
     60       5.9368      1.71971
     61       6.1251      0.30558
     62       6.5657     -0.00109
     63       6.8045     -0.00000
     64       7.2767     -0.00000
     65       7.6823     -0.00000
     66       8.3666     -0.00000
     67       9.3744     -0.00000
     68       9.5407     -0.00000
     69      10.0088     -0.00000
     70      10.2394     -0.00000
     71      11.3497     -0.00000
     72      11.5035      0.00000
     73      11.8128      0.00000
     74      11.9867      0.00000
     75      12.3251      0.00000
     76      12.7938      0.00000
     77      13.3966      0.00000
     78      13.7149      0.00000
     79      13.8610      0.00000
     80      14.2718      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.8975      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.5432      2.00000
      9      -0.5322      2.00000
     10      -0.4529      2.00000
     11       0.2240      2.00000
     12       0.2502      2.00000
     13       0.4898      2.00000
     14       0.5367      2.00000
     15       0.6089      2.00000
     16       0.6474      2.00000
     17       0.6877      2.00000
     18       0.8119      2.00000
     19       0.9161      2.00000
     20       0.9607      2.00000
     21       0.9996      2.00000
     22       1.0296      2.00000
     23       1.1310      2.00000
     24       1.1746      2.00000
     25       1.2305      2.00000
     26       1.4045      2.00000
     27       1.4467      2.00000
     28       1.4995      2.00000
     29       1.6094      2.00000
     30       1.6532      2.00000
     31       1.7452      2.00000
     32       1.8809      2.00000
     33       1.9006      2.00000
     34       2.0278      2.00000
     35       2.1168      2.00000
     36       2.2171      2.00000
     37       2.2794      2.00000
     38       2.3619      2.00000
     39       2.3863      2.00000
     40       2.4575      2.00000
     41       2.6024      2.00000
     42       2.6880      2.00000
     43       2.7130      2.00000
     44       2.7511      2.00000
     45       2.8544      2.00000
     46       2.8804      2.00000
     47       2.9088      2.00000
     48       3.0687      2.00000
     49       3.1078      2.00000
     50       3.1844      2.00000
     51       3.2410      2.00000
     52       3.2458      2.00000
     53       3.5493      2.00000
     54       3.6306      2.00000
     55       3.6679      2.00000
     56       3.8571      2.00000
     57       3.9872      2.00000
     58       4.5124      2.00000
     59       5.6804      2.03171
     60       6.3794     -0.03442
     61       6.7279     -0.00001
     62       7.5527     -0.00000
     63       7.9610     -0.00000
     64       8.6935     -0.00000
     65       8.8870     -0.00000
     66       9.2476     -0.00000
     67       9.4189     -0.00000
     68       9.5027     -0.00000
     69       9.8086     -0.00000
     70      10.5663     -0.00000
     71      11.2045     -0.00000
     72      11.5641      0.00000
     73      12.0611      0.00000
     74      12.2740      0.00000
     75      13.0246      0.00000
     76      13.2432      0.00000
     77      13.3328      0.00000
     78      13.8935      0.00000
     79      14.6176      0.00000
     80      14.7085      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8979      2.00000
      2     -39.8909      2.00000
      3     -39.7799      2.00000
      4     -39.6327      2.00000
      5     -39.6320      2.00000
      6     -39.5790      2.00000
      7     -39.5642      2.00000
      8      -1.5964      2.00000
      9      -0.8157      2.00000
     10      -0.5504      2.00000
     11       0.0882      2.00000
     12       0.1623      2.00000
     13       0.3728      2.00000
     14       0.4105      2.00000
     15       0.5658      2.00000
     16       0.6570      2.00000
     17       0.7821      2.00000
     18       0.8045      2.00000
     19       0.8850      2.00000
     20       0.8879      2.00000
     21       0.9354      2.00000
     22       1.0280      2.00000
     23       1.0433      2.00000
     24       1.0889      2.00000
     25       1.2659      2.00000
     26       1.3205      2.00000
     27       1.3916      2.00000
     28       1.4891      2.00000
     29       1.6401      2.00000
     30       1.6826      2.00000
     31       1.7748      2.00000
     32       1.8518      2.00000
     33       1.9713      2.00000
     34       2.0266      2.00000
     35       2.1881      2.00000
     36       2.2188      2.00000
     37       2.3408      2.00000
     38       2.4406      2.00000
     39       2.4762      2.00000
     40       2.4839      2.00000
     41       2.5271      2.00000
     42       2.6405      2.00000
     43       2.6498      2.00000
     44       2.6716      2.00000
     45       2.8433      2.00000
     46       2.8555      2.00000
     47       2.9621      2.00000
     48       2.9653      2.00000
     49       3.0022      2.00000
     50       3.2088      2.00000
     51       3.2679      2.00000
     52       3.4653      2.00000
     53       3.5663      2.00000
     54       3.6649      2.00000
     55       3.9785      2.00000
     56       4.1018      2.00000
     57       4.2222      2.00000
     58       4.6166      2.00000
     59       5.8856      1.94475
     60       6.1806      0.05563
     61       6.6389     -0.00016
     62       7.3893     -0.00000
     63       8.0008     -0.00000
     64       8.2510     -0.00000
     65       8.7064     -0.00000
     66       9.1387     -0.00000
     67       9.1795     -0.00000
     68      10.9839     -0.00000
     69      11.4421     -0.00000
     70      11.6351      0.00000
     71      11.9386      0.00000
     72      12.3267      0.00000
     73      12.6515      0.00000
     74      13.2132      0.00000
     75      13.2234      0.00000
     76      13.3621      0.00000
     77      13.4229      0.00000
     78      13.8440      0.00000
     79      13.8631      0.00000
     80      14.0896      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8975      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6326      2.00000
      5     -39.6320      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.3416      2.00000
      9      -0.6471      2.00000
     10      -0.5269      2.00000
     11       0.0672      2.00000
     12       0.2019      2.00000
     13       0.4817      2.00000
     14       0.5703      2.00000
     15       0.6402      2.00000
     16       0.6533      2.00000
     17       0.7645      2.00000
     18       0.8044      2.00000
     19       0.9240      2.00000
     20       0.9357      2.00000
     21       0.9661      2.00000
     22       0.9973      2.00000
     23       1.1116      2.00000
     24       1.1412      2.00000
     25       1.1926      2.00000
     26       1.3883      2.00000
     27       1.4432      2.00000
     28       1.6128      2.00000
     29       1.6277      2.00000
     30       1.6893      2.00000
     31       1.7346      2.00000
     32       1.7904      2.00000
     33       1.9474      2.00000
     34       2.0389      2.00000
     35       2.0889      2.00000
     36       2.2067      2.00000
     37       2.2260      2.00000
     38       2.2955      2.00000
     39       2.4691      2.00000
     40       2.4968      2.00000
     41       2.5479      2.00000
     42       2.6517      2.00000
     43       2.6921      2.00000
     44       2.7390      2.00000
     45       2.7640      2.00000
     46       2.8594      2.00000
     47       2.9069      2.00000
     48       3.0013      2.00000
     49       3.0818      2.00000
     50       3.1525      2.00000
     51       3.1819      2.00000
     52       3.3301      2.00000
     53       3.4527      2.00000
     54       3.5362      2.00000
     55       3.7800      2.00000
     56       3.9082      2.00000
     57       5.0473      2.00000
     58       5.1685      2.00000
     59       5.6588      2.02365
     60       6.0538      0.82650
     61       6.8613     -0.00000
     62       7.3649     -0.00000
     63       7.5145     -0.00000
     64       7.7067     -0.00000
     65       8.1290     -0.00000
     66       8.2592     -0.00000
     67      10.0034     -0.00000
     68      10.3799     -0.00000
     69      10.5466     -0.00000
     70      11.0605     -0.00000
     71      11.1781     -0.00000
     72      11.6708      0.00000
     73      12.3575      0.00000
     74      12.4820      0.00000
     75      12.9893      0.00000
     76      13.1966      0.00000
     77      13.7132      0.00000
     78      13.8530      0.00000
     79      14.1351      0.00000
     80      14.3976      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6324      2.00000
      5     -39.6321      2.00000
      6     -39.5764      2.00000
      7     -39.5670      2.00000
      8      -0.8845      2.00000
      9      -0.3503      2.00000
     10      -0.0365      2.00000
     11       0.0425      2.00000
     12       0.4852      2.00000
     13       0.5124      2.00000
     14       0.5963      2.00000
     15       0.7110      2.00000
     16       0.7503      2.00000
     17       0.7860      2.00000
     18       0.8439      2.00000
     19       0.8942      2.00000
     20       1.0119      2.00000
     21       1.0374      2.00000
     22       1.1463      2.00000
     23       1.2600      2.00000
     24       1.3527      2.00000
     25       1.4043      2.00000
     26       1.4801      2.00000
     27       1.5323      2.00000
     28       1.5715      2.00000
     29       1.6130      2.00000
     30       1.7658      2.00000
     31       1.8163      2.00000
     32       1.8842      2.00000
     33       1.9243      2.00000
     34       1.9826      2.00000
     35       2.0345      2.00000
     36       2.1360      2.00000
     37       2.1977      2.00000
     38       2.2407      2.00000
     39       2.2720      2.00000
     40       2.3395      2.00000
     41       2.5693      2.00000
     42       2.6188      2.00000
     43       2.6656      2.00000
     44       2.7384      2.00000
     45       2.7465      2.00000
     46       2.8636      2.00000
     47       2.8944      2.00000
     48       2.9325      2.00000
     49       2.9777      2.00000
     50       3.0633      2.00000
     51       3.1524      2.00000
     52       3.2910      2.00000
     53       3.3666      2.00000
     54       3.4282      2.00000
     55       3.5177      2.00000
     56       3.7319      2.00000
     57       4.7048      2.00000
     58       5.4163      2.00012
     59       5.6551      2.02241
     60       5.8537      2.02184
     61       6.7275     -0.00001
     62       6.9641     -0.00000
     63       7.1224     -0.00000
     64       7.2513     -0.00000
     65       8.4979     -0.00000
     66       8.5825     -0.00000
     67       8.7020     -0.00000
     68       8.9027     -0.00000
     69       9.2590     -0.00000
     70       9.6864     -0.00000
     71      10.9403     -0.00000
     72      11.1204     -0.00000
     73      11.3252     -0.00000
     74      11.8621      0.00000
     75      12.7843      0.00000
     76      13.0493      0.00000
     77      13.5377      0.00000
     78      13.7767      0.00000
     79      14.0404      0.00000
     80      14.4104      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3537      2.00000
      9      -0.1061      2.00000
     10       0.1128      2.00000
     11       0.1902      2.00000
     12       0.4768      2.00000
     13       0.5430      2.00000
     14       0.6002      2.00000
     15       0.6569      2.00000
     16       0.7613      2.00000
     17       0.9154      2.00000
     18       0.9636      2.00000
     19       1.0790      2.00000
     20       1.1660      2.00000
     21       1.2073      2.00000
     22       1.2536      2.00000
     23       1.3302      2.00000
     24       1.4113      2.00000
     25       1.5033      2.00000
     26       1.5226      2.00000
     27       1.5554      2.00000
     28       1.6398      2.00000
     29       1.7330      2.00000
     30       1.7562      2.00000
     31       1.8470      2.00000
     32       1.9168      2.00000
     33       1.9860      2.00000
     34       2.0553      2.00000
     35       2.1250      2.00000
     36       2.1915      2.00000
     37       2.2672      2.00000
     38       2.3197      2.00000
     39       2.3325      2.00000
     40       2.3925      2.00000
     41       2.4433      2.00000
     42       2.5402      2.00000
     43       2.5760      2.00000
     44       2.5933      2.00000
     45       2.6505      2.00000
     46       2.7172      2.00000
     47       2.7746      2.00000
     48       2.8239      2.00000
     49       2.9695      2.00000
     50       3.0611      2.00000
     51       3.1541      2.00000
     52       3.1990      2.00000
     53       3.3452      2.00000
     54       3.5492      2.00000
     55       3.6134      2.00000
     56       3.9724      2.00000
     57       4.2064      2.00000
     58       4.4361      2.00000
     59       5.2869      2.00000
     60       5.8486      2.03034
     61       5.9766      1.45776
     62       6.2707     -0.07048
     63       6.4831     -0.00658
     64       7.0005     -0.00000
     65       7.8761     -0.00000
     66       8.0641     -0.00000
     67       8.8459     -0.00000
     68       9.1807     -0.00000
     69       9.7451     -0.00000
     70       9.8538     -0.00000
     71      10.3831     -0.00000
     72      10.6054     -0.00000
     73      11.0089     -0.00000
     74      11.8697      0.00000
     75      12.5286      0.00000
     76      12.6910      0.00000
     77      13.3509      0.00000
     78      13.7620      0.00000
     79      14.3841      0.00000
     80      14.4708      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6323      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4258      2.00000
      9      -0.1234      2.00000
     10       0.0004      2.00000
     11       0.1435      2.00000
     12       0.5610      2.00000
     13       0.6047      2.00000
     14       0.6632      2.00000
     15       0.7920      2.00000
     16       0.8145      2.00000
     17       0.9370      2.00000
     18       0.9830      2.00000
     19       1.0630      2.00000
     20       1.1266      2.00000
     21       1.1636      2.00000
     22       1.2546      2.00000
     23       1.3526      2.00000
     24       1.4012      2.00000
     25       1.4211      2.00000
     26       1.5031      2.00000
     27       1.6071      2.00000
     28       1.6838      2.00000
     29       1.7301      2.00000
     30       1.7844      2.00000
     31       1.8380      2.00000
     32       1.9012      2.00000
     33       1.9136      2.00000
     34       2.0145      2.00000
     35       2.1353      2.00000
     36       2.1978      2.00000
     37       2.2306      2.00000
     38       2.2623      2.00000
     39       2.3198      2.00000
     40       2.4058      2.00000
     41       2.4696      2.00000
     42       2.5084      2.00000
     43       2.5642      2.00000
     44       2.6371      2.00000
     45       2.6601      2.00000
     46       2.7431      2.00000
     47       2.7869      2.00000
     48       2.8390      2.00000
     49       2.8899      2.00000
     50       3.1520      2.00000
     51       3.1599      2.00000
     52       3.3607      2.00000
     53       3.4834      2.00000
     54       3.5924      2.00000
     55       3.6228      2.00000
     56       3.7858      2.00000
     57       4.3768      2.00000
     58       4.5747      2.00000
     59       5.1455      2.00000
     60       5.6327      2.01587
     61       5.7559      2.06454
     62       6.4348     -0.01557
     63       6.5175     -0.00326
     64       6.8599     -0.00000
     65       7.0081     -0.00000
     66       7.3965     -0.00000
     67       9.1284     -0.00000
     68       9.3365     -0.00000
     69      10.2830     -0.00000
     70      10.5971     -0.00000
     71      10.9164     -0.00000
     72      11.4790     -0.00000
     73      11.5948      0.00000
     74      11.8680      0.00000
     75      12.2259      0.00000
     76      12.6879      0.00000
     77      12.9738      0.00000
     78      13.1270      0.00000
     79      13.9400      0.00000
     80      14.2718      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.0948      2.00000
      9      -0.2954      2.00000
     10      -0.1509      2.00000
     11       0.2471      2.00000
     12       0.4987      2.00000
     13       0.5635      2.00000
     14       0.5907      2.00000
     15       0.6718      2.00000
     16       0.7848      2.00000
     17       0.8707      2.00000
     18       0.9424      2.00000
     19       1.0345      2.00000
     20       1.1050      2.00000
     21       1.1374      2.00000
     22       1.1794      2.00000
     23       1.2040      2.00000
     24       1.2365      2.00000
     25       1.2723      2.00000
     26       1.3701      2.00000
     27       1.5002      2.00000
     28       1.5640      2.00000
     29       1.6544      2.00000
     30       1.6995      2.00000
     31       1.8060      2.00000
     32       1.8537      2.00000
     33       1.9791      2.00000
     34       2.0497      2.00000
     35       2.1134      2.00000
     36       2.1772      2.00000
     37       2.2364      2.00000
     38       2.2568      2.00000
     39       2.3163      2.00000
     40       2.3513      2.00000
     41       2.5422      2.00000
     42       2.6321      2.00000
     43       2.6580      2.00000
     44       2.7292      2.00000
     45       2.7523      2.00000
     46       2.7948      2.00000
     47       2.8341      2.00000
     48       2.9554      2.00000
     49       3.0133      2.00000
     50       3.0812      2.00000
     51       3.1540      2.00000
     52       3.2244      2.00000
     53       3.4422      2.00000
     54       3.4804      2.00000
     55       3.5802      2.00000
     56       3.7341      2.00000
     57       4.5461      2.00000
     58       4.7982      2.00000
     59       5.4104      2.00010
     60       5.9712      1.49726
     61       6.4933     -0.00539
     62       6.8252     -0.00000
     63       7.1271     -0.00000
     64       7.4029     -0.00000
     65       8.0432     -0.00000
     66       8.6806     -0.00000
     67       8.7846     -0.00000
     68       9.4067     -0.00000
     69       9.8706     -0.00000
     70       9.9561     -0.00000
     71      10.6655     -0.00000
     72      11.1966     -0.00000
     73      11.9147      0.00000
     74      12.2394      0.00000
     75      12.6445      0.00000
     76      13.2574      0.00000
     77      14.0040      0.00000
     78      14.0576      0.00000
     79      14.3941      0.00000
     80      14.4592      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8976      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.5333      2.00000
      9      -0.6144      2.00000
     10      -0.3609      2.00000
     11       0.2029      2.00000
     12       0.2475      2.00000
     13       0.4540      2.00000
     14       0.5369      2.00000
     15       0.6029      2.00000
     16       0.6445      2.00000
     17       0.7056      2.00000
     18       0.8233      2.00000
     19       0.9308      2.00000
     20       0.9585      2.00000
     21       0.9973      2.00000
     22       1.0624      2.00000
     23       1.1440      2.00000
     24       1.1710      2.00000
     25       1.2649      2.00000
     26       1.2851      2.00000
     27       1.3978      2.00000
     28       1.6079      2.00000
     29       1.6581      2.00000
     30       1.7232      2.00000
     31       1.7693      2.00000
     32       1.8355      2.00000
     33       1.8776      2.00000
     34       2.0061      2.00000
     35       2.0422      2.00000
     36       2.1340      2.00000
     37       2.3255      2.00000
     38       2.3626      2.00000
     39       2.4611      2.00000
     40       2.5322      2.00000
     41       2.5391      2.00000
     42       2.6171      2.00000
     43       2.6866      2.00000
     44       2.7101      2.00000
     45       2.8106      2.00000
     46       2.8578      2.00000
     47       2.9120      2.00000
     48       3.0679      2.00000
     49       3.1106      2.00000
     50       3.2210      2.00000
     51       3.2519      2.00000
     52       3.3175      2.00000
     53       3.4166      2.00000
     54       3.6026      2.00000
     55       3.8089      2.00000
     56       3.8299      2.00000
     57       3.9983      2.00000
     58       4.7597      2.00000
     59       5.6699      2.02762
     60       6.5590     -0.00128
     61       6.8420     -0.00000
     62       7.4792     -0.00000
     63       7.8789     -0.00000
     64       7.9397     -0.00000
     65       8.4405     -0.00000
     66       9.0608     -0.00000
     67       9.2320     -0.00000
     68      10.0208     -0.00000
     69      10.5148     -0.00000
     70      10.7291     -0.00000
     71      11.1509     -0.00000
     72      11.4936      0.00000
     73      12.1386      0.00000
     74      12.6703      0.00000
     75      13.0373      0.00000
     76      13.3632      0.00000
     77      13.5248      0.00000
     78      13.9365      0.00000
     79      14.3303      0.00000
     80      14.5447      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8979      2.00000
      2     -39.8909      2.00000
      3     -39.7798      2.00000
      4     -39.6326      2.00000
      5     -39.6320      2.00000
      6     -39.5790      2.00000
      7     -39.5642      2.00000
      8      -1.5920      2.00000
      9      -0.7646      2.00000
     10      -0.6400      2.00000
     11       0.0827      2.00000
     12       0.2048      2.00000
     13       0.3689      2.00000
     14       0.4081      2.00000
     15       0.5826      2.00000
     16       0.6308      2.00000
     17       0.7450      2.00000
     18       0.8010      2.00000
     19       0.8607      2.00000
     20       0.9244      2.00000
     21       0.9414      2.00000
     22       1.0797      2.00000
     23       1.1291      2.00000
     24       1.1640      2.00000
     25       1.2567      2.00000
     26       1.2686      2.00000
     27       1.2813      2.00000
     28       1.4834      2.00000
     29       1.6124      2.00000
     30       1.6341      2.00000
     31       1.7648      2.00000
     32       1.8057      2.00000
     33       1.9284      2.00000
     34       2.1384      2.00000
     35       2.1741      2.00000
     36       2.3596      2.00000
     37       2.3724      2.00000
     38       2.4091      2.00000
     39       2.4487      2.00000
     40       2.4822      2.00000
     41       2.5504      2.00000
     42       2.6460      2.00000
     43       2.6722      2.00000
     44       2.7423      2.00000
     45       2.8138      2.00000
     46       2.8629      2.00000
     47       2.9081      2.00000
     48       2.9671      2.00000
     49       3.0518      2.00000
     50       3.1943      2.00000
     51       3.2381      2.00000
     52       3.4049      2.00000
     53       3.6061      2.00000
     54       3.6546      2.00000
     55       3.9703      2.00000
     56       4.0797      2.00000
     57       4.2394      2.00000
     58       4.5112      2.00000
     59       5.7173      2.04807
     60       6.2520     -0.06472
     61       6.7115     -0.00002
     62       7.5353     -0.00000
     63       7.8889     -0.00000
     64       8.1246     -0.00000
     65       8.8243     -0.00000
     66       9.3837     -0.00000
     67       9.6710     -0.00000
     68      10.7857     -0.00000
     69      10.8921     -0.00000
     70      11.4616     -0.00000
     71      12.0165      0.00000
     72      12.0862      0.00000
     73      12.5431      0.00000
     74      12.9318      0.00000
     75      13.0358      0.00000
     76      13.3009      0.00000
     77      13.4501      0.00000
     78      13.9023      0.00000
     79      14.0389      0.00000
     80      14.3509      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8975      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6325      2.00000
      5     -39.6321      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.3748      2.00000
      9      -0.7188      2.00000
     10      -0.4503      2.00000
     11       0.1347      2.00000
     12       0.2030      2.00000
     13       0.4938      2.00000
     14       0.5649      2.00000
     15       0.6487      2.00000
     16       0.6526      2.00000
     17       0.7636      2.00000
     18       0.7821      2.00000
     19       0.9431      2.00000
     20       0.9505      2.00000
     21       0.9668      2.00000
     22       0.9962      2.00000
     23       1.1322      2.00000
     24       1.1754      2.00000
     25       1.1970      2.00000
     26       1.3843      2.00000
     27       1.3943      2.00000
     28       1.5278      2.00000
     29       1.6318      2.00000
     30       1.6405      2.00000
     31       1.8120      2.00000
     32       1.8585      2.00000
     33       1.9750      2.00000
     34       2.0000      2.00000
     35       2.1776      2.00000
     36       2.2171      2.00000
     37       2.2395      2.00000
     38       2.2725      2.00000
     39       2.3197      2.00000
     40       2.5562      2.00000
     41       2.5906      2.00000
     42       2.6383      2.00000
     43       2.7090      2.00000
     44       2.7573      2.00000
     45       2.8284      2.00000
     46       2.9113      2.00000
     47       2.9785      2.00000
     48       3.0157      2.00000
     49       3.1234      2.00000
     50       3.1695      2.00000
     51       3.2169      2.00000
     52       3.3220      2.00000
     53       3.4186      2.00000
     54       3.5743      2.00000
     55       3.7599      2.00000
     56       3.9153      2.00000
     57       4.0435      2.00000
     58       4.3201      2.00000
     59       6.2419     -0.05816
     60       6.6765     -0.00005
     61       7.1394     -0.00000
     62       7.3423     -0.00000
     63       8.0158     -0.00000
     64       8.2270     -0.00000
     65       8.4006     -0.00000
     66       8.8122     -0.00000
     67       9.6124     -0.00000
     68       9.8616     -0.00000
     69      10.1624     -0.00000
     70      10.3544     -0.00000
     71      10.8777     -0.00000
     72      11.3609     -0.00000
     73      12.0583      0.00000
     74      12.2333      0.00000
     75      12.6487      0.00000
     76      13.1584      0.00000
     77      13.5565      0.00000
     78      13.7930      0.00000
     79      14.3494      0.00000
     80      14.6373      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6321      2.00000
      6     -39.5764      2.00000
      7     -39.5670      2.00000
      8      -0.8991      2.00000
      9      -0.4424      2.00000
     10       0.0640      2.00000
     11       0.1138      2.00000
     12       0.4112      2.00000
     13       0.5123      2.00000
     14       0.6600      2.00000
     15       0.6883      2.00000
     16       0.7510      2.00000
     17       0.7933      2.00000
     18       0.8359      2.00000
     19       0.9225      2.00000
     20       1.0336      2.00000
     21       1.0563      2.00000
     22       1.1354      2.00000
     23       1.2462      2.00000
     24       1.2848      2.00000
     25       1.3072      2.00000
     26       1.3949      2.00000
     27       1.4803      2.00000
     28       1.6888      2.00000
     29       1.7170      2.00000
     30       1.8041      2.00000
     31       1.8364      2.00000
     32       1.8689      2.00000
     33       1.9211      2.00000
     34       1.9843      2.00000
     35       2.0115      2.00000
     36       2.0446      2.00000
     37       2.2482      2.00000
     38       2.3123      2.00000
     39       2.3654      2.00000
     40       2.4968      2.00000
     41       2.5362      2.00000
     42       2.5852      2.00000
     43       2.6981      2.00000
     44       2.7174      2.00000
     45       2.7543      2.00000
     46       2.7760      2.00000
     47       2.8753      2.00000
     48       2.8972      2.00000
     49       2.9267      2.00000
     50       3.0919      2.00000
     51       3.1859      2.00000
     52       3.3494      2.00000
     53       3.3605      2.00000
     54       3.6027      2.00000
     55       3.7622      2.00000
     56       3.8379      2.00000
     57       4.0336      2.00000
     58       4.6478      2.00000
     59       4.8288      2.00000
     60       6.5945     -0.00053
     61       7.0615     -0.00000
     62       7.5215     -0.00000
     63       7.6306     -0.00000
     64       7.8482     -0.00000
     65       8.0351     -0.00000
     66       8.7390     -0.00000
     67       8.9304     -0.00000
     68       9.2006     -0.00000
     69       9.6046     -0.00000
     70       9.6336     -0.00000
     71       9.8352     -0.00000
     72      10.1212     -0.00000
     73      11.5101      0.00000
     74      11.8114      0.00000
     75      11.9156      0.00000
     76      13.0335      0.00000
     77      13.3832      0.00000
     78      14.0364      0.00000
     79      14.2750      0.00000
     80      14.6478      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8950      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5700      2.00000
      8      -0.3494      2.00000
      9      -0.1076      2.00000
     10       0.1193      2.00000
     11       0.1682      2.00000
     12       0.4312      2.00000
     13       0.5502      2.00000
     14       0.6205      2.00000
     15       0.7110      2.00000
     16       0.7863      2.00000
     17       0.9056      2.00000
     18       0.9515      2.00000
     19       1.0816      2.00000
     20       1.1312      2.00000
     21       1.1967      2.00000
     22       1.2251      2.00000
     23       1.3555      2.00000
     24       1.4046      2.00000
     25       1.4619      2.00000
     26       1.5202      2.00000
     27       1.6742      2.00000
     28       1.7127      2.00000
     29       1.7391      2.00000
     30       1.7516      2.00000
     31       1.8489      2.00000
     32       1.8849      2.00000
     33       1.9492      2.00000
     34       2.0218      2.00000
     35       2.1358      2.00000
     36       2.1768      2.00000
     37       2.2644      2.00000
     38       2.2919      2.00000
     39       2.3627      2.00000
     40       2.4055      2.00000
     41       2.4499      2.00000
     42       2.5408      2.00000
     43       2.5862      2.00000
     44       2.6070      2.00000
     45       2.6555      2.00000
     46       2.6951      2.00000
     47       2.7447      2.00000
     48       2.8044      2.00000
     49       2.8863      2.00000
     50       3.0920      2.00000
     51       3.1400      2.00000
     52       3.1940      2.00000
     53       3.2385      2.00000
     54       3.5036      2.00000
     55       3.6119      2.00000
     56       3.9828      2.00000
     57       4.6426      2.00000
     58       4.7119      2.00000
     59       5.1298      2.00000
     60       5.6689      2.02726
     61       5.7859      2.07088
     62       6.0993      0.47279
     63       6.3908     -0.02977
     64       6.9495     -0.00000
     65       7.6769     -0.00000
     66       8.4745     -0.00000
     67       9.0183     -0.00000
     68       9.3764     -0.00000
     69       9.4946     -0.00000
     70       9.8396     -0.00000
     71      10.6561     -0.00000
     72      11.0670     -0.00000
     73      11.4313     -0.00000
     74      11.7465      0.00000
     75      12.1270      0.00000
     76      12.4726      0.00000
     77      12.8031      0.00000
     78      13.6413      0.00000
     79      13.9824      0.00000
     80      14.2017      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8951      2.00000
      2     -39.8935      2.00000
      3     -39.7792      2.00000
      4     -39.6322      2.00000
      5     -39.6320      2.00000
      6     -39.5734      2.00000
      7     -39.5701      2.00000
      8      -0.4136      2.00000
      9      -0.1730      2.00000
     10       0.0583      2.00000
     11       0.1504      2.00000
     12       0.5419      2.00000
     13       0.5988      2.00000
     14       0.6911      2.00000
     15       0.7570      2.00000
     16       0.8082      2.00000
     17       0.8880      2.00000
     18       0.9662      2.00000
     19       1.1033      2.00000
     20       1.1253      2.00000
     21       1.2164      2.00000
     22       1.2893      2.00000
     23       1.3065      2.00000
     24       1.3793      2.00000
     25       1.4233      2.00000
     26       1.4793      2.00000
     27       1.5650      2.00000
     28       1.6807      2.00000
     29       1.7569      2.00000
     30       1.7882      2.00000
     31       1.8439      2.00000
     32       1.8662      2.00000
     33       1.9730      2.00000
     34       2.0713      2.00000
     35       2.1021      2.00000
     36       2.1451      2.00000
     37       2.2567      2.00000
     38       2.2938      2.00000
     39       2.2978      2.00000
     40       2.4537      2.00000
     41       2.4858      2.00000
     42       2.4898      2.00000
     43       2.5679      2.00000
     44       2.6427      2.00000
     45       2.6629      2.00000
     46       2.7212      2.00000
     47       2.8049      2.00000
     48       2.8182      2.00000
     49       2.8953      2.00000
     50       3.1069      2.00000
     51       3.1853      2.00000
     52       3.2652      2.00000
     53       3.4942      2.00000
     54       3.5750      2.00000
     55       3.6687      2.00000
     56       4.0715      2.00000
     57       4.5223      2.00000
     58       4.5810      2.00000
     59       4.8495      2.00000
     60       5.1798      2.00000
     61       5.6728      2.02874
     62       6.1489      0.17965
     63       6.4156     -0.02100
     64       7.5805     -0.00000
     65       7.7495     -0.00000
     66       8.0517     -0.00000
     67       8.4247     -0.00000
     68       8.9849     -0.00000
     69       9.6728     -0.00000
     70      10.2950     -0.00000
     71      10.4510     -0.00000
     72      11.2985     -0.00000
     73      11.7065      0.00000
     74      12.2918      0.00000
     75      12.5135      0.00000
     76      12.6360      0.00000
     77      13.4113      0.00000
     78      13.6546      0.00000
     79      14.1980      0.00000
     80      14.3450      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8965      2.00000
      2     -39.8921      2.00000
      3     -39.7794      2.00000
      4     -39.6323      2.00000
      5     -39.6320      2.00000
      6     -39.5763      2.00000
      7     -39.5671      2.00000
      8      -1.0324      2.00000
      9      -0.4511      2.00000
     10      -0.0619      2.00000
     11       0.3408      2.00000
     12       0.4560      2.00000
     13       0.5299      2.00000
     14       0.5814      2.00000
     15       0.6601      2.00000
     16       0.7596      2.00000
     17       0.8306      2.00000
     18       0.9328      2.00000
     19       1.0034      2.00000
     20       1.0351      2.00000
     21       1.1103      2.00000
     22       1.2007      2.00000
     23       1.2225      2.00000
     24       1.3267      2.00000
     25       1.3565      2.00000
     26       1.3794      2.00000
     27       1.4545      2.00000
     28       1.5183      2.00000
     29       1.6191      2.00000
     30       1.7839      2.00000
     31       1.8578      2.00000
     32       1.8774      2.00000
     33       1.9416      2.00000
     34       1.9962      2.00000
     35       2.0537      2.00000
     36       2.1360      2.00000
     37       2.2037      2.00000
     38       2.2706      2.00000
     39       2.3429      2.00000
     40       2.4646      2.00000
     41       2.5048      2.00000
     42       2.5198      2.00000
     43       2.6631      2.00000
     44       2.6934      2.00000
     45       2.7778      2.00000
     46       2.8168      2.00000
     47       2.8649      2.00000
     48       2.9442      2.00000
     49       3.0391      2.00000
     50       3.0968      2.00000
     51       3.1645      2.00000
     52       3.2411      2.00000
     53       3.3365      2.00000
     54       3.5025      2.00000
     55       3.6641      2.00000
     56       3.8640      2.00000
     57       4.7784      2.00000
     58       5.2361      2.00000
     59       5.3431      2.00001
     60       5.6149      2.01178
     61       6.3541     -0.04567
     62       6.5513     -0.00153
     63       7.2937     -0.00000
     64       7.4007     -0.00000
     65       7.6985     -0.00000
     66       8.0821     -0.00000
     67       8.9054     -0.00000
     68       9.6673     -0.00000
     69      10.0076     -0.00000
     70      10.5130     -0.00000
     71      10.6974     -0.00000
     72      11.0110     -0.00000
     73      11.3389     -0.00000
     74      12.5128      0.00000
     75      13.0428      0.00000
     76      13.3371      0.00000
     77      13.6216      0.00000
     78      14.1640      0.00000
     79      14.2457      0.00000
     80      14.8783      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.8975      2.00000
      2     -39.8912      2.00000
      3     -39.7797      2.00000
      4     -39.6326      2.00000
      5     -39.6320      2.00000
      6     -39.5783      2.00000
      7     -39.5649      2.00000
      8      -1.4709      2.00000
      9      -0.7202      2.00000
     10      -0.3408      2.00000
     11       0.1738      2.00000
     12       0.2336      2.00000
     13       0.4808      2.00000
     14       0.5437      2.00000
     15       0.6252      2.00000
     16       0.6451      2.00000
     17       0.6772      2.00000
     18       0.8369      2.00000
     19       0.8959      2.00000
     20       0.9510      2.00000
     21       0.9930      2.00000
     22       1.0086      2.00000
     23       1.1572      2.00000
     24       1.1919      2.00000
     25       1.2632      2.00000
     26       1.3392      2.00000
     27       1.4484      2.00000
     28       1.5593      2.00000
     29       1.6115      2.00000
     30       1.6302      2.00000
     31       1.7056      2.00000
     32       1.9089      2.00000
     33       1.9775      2.00000
     34       2.0307      2.00000
     35       2.1053      2.00000
     36       2.2117      2.00000
     37       2.2698      2.00000
     38       2.3457      2.00000
     39       2.3635      2.00000
     40       2.4707      2.00000
     41       2.4853      2.00000
     42       2.6429      2.00000
     43       2.6858      2.00000
     44       2.7652      2.00000
     45       2.7877      2.00000
     46       2.8441      2.00000
     47       2.9763      2.00000
     48       3.0077      2.00000
     49       3.1285      2.00000
     50       3.1709      2.00000
     51       3.2124      2.00000
     52       3.3164      2.00000
     53       3.3936      2.00000
     54       3.6278      2.00000
     55       3.7954      2.00000
     56       3.8423      2.00000
     57       4.6419      2.00000
     58       5.1746      2.00000
     59       5.7191      2.04889
     60       6.1321      0.26552
     61       6.4642     -0.00939
     62       6.9379     -0.00000
     63       7.2697     -0.00000
     64       7.9453     -0.00000
     65       8.9205     -0.00000
     66       8.9879     -0.00000
     67       9.2647     -0.00000
     68       9.9884     -0.00000
     69      10.0687     -0.00000
     70      11.7040      0.00000
     71      11.9521      0.00000
     72      12.1288      0.00000
     73      12.2445      0.00000
     74      12.4931      0.00000
     75      12.9238      0.00000
     76      13.3256      0.00000
     77      13.6153      0.00000
     78      13.8379      0.00000
     79      13.9986      0.00000
     80      14.5114      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.160  -0.000  -0.000  -0.003  -0.000  -5.371  -0.000  -0.000
 -0.000  -5.158  -0.003   0.001  -0.001  -0.000  -5.369  -0.003
 -0.000  -0.003  -5.161  -0.001  -0.006  -0.000  -0.003  -5.372
 -0.003   0.001  -0.001  -5.167   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.147  -0.000  -0.001  -0.006
 -5.371  -0.000  -0.000  -0.003  -0.000  -5.564  -0.000  -0.000
 -0.000  -5.369  -0.003   0.001  -0.001  -0.000  -5.562  -0.003
 -0.000  -0.003  -5.372  -0.001  -0.006  -0.000  -0.003  -5.565
 -0.003   0.001  -0.001  -5.377   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.358  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.020   0.011   0.030   0.010   0.009  -1.168  -0.015  -0.026  -0.043  -0.015   0.020  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.072  -0.265   0.020  -0.196  -0.015  -1.059   0.221  -0.010   0.155  -0.073   0.015  -0.004   0.170   0.008   0.001
  0.030  -0.265   2.647   0.008  -0.308  -0.026   0.221  -0.693  -0.018   0.227   0.085  -0.036  -0.112  -0.021  -0.003   0.006
  0.010   0.020   0.008   2.940   0.015  -0.043  -0.010  -0.018  -1.103  -0.007  -0.020   0.004   0.010   0.003  -0.017  -0.000
  0.009  -0.196  -0.308   0.015   3.077  -0.015   0.155   0.227  -0.007  -1.017  -0.139   0.067   0.048  -0.006   0.019   0.008
 -1.168  -0.015  -0.026  -0.043  -0.015   1.223   0.017   0.022   0.072   0.019  -0.018   0.005   0.012  -0.006  -0.289  -0.000
 -0.015  -1.059   0.221  -0.010   0.155   0.017   0.981  -0.179   0.003  -0.116   0.067  -0.017  -0.006  -0.136  -0.007   0.000
 -0.026   0.221  -0.693  -0.018   0.227   0.022  -0.179   0.676   0.025  -0.158  -0.093   0.047   0.084   0.025   0.002  -0.002
 -0.043  -0.010  -0.018  -1.103  -0.007   0.072   0.003   0.025   1.164   0.001   0.020  -0.006  -0.009  -0.002   0.009   0.000
 -0.015   0.155   0.227  -0.007  -1.017   0.019  -0.116  -0.158   0.001   0.910   0.130  -0.072  -0.050   0.007  -0.015  -0.000
  0.020  -0.073   0.085  -0.020  -0.139  -0.018   0.067  -0.093   0.020   0.130   2.093  -0.311  -0.040   0.001   0.002   0.002
 -0.005   0.015  -0.036   0.004   0.067   0.005  -0.017   0.047  -0.006  -0.072  -0.311   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.004  -0.112   0.010   0.048   0.012  -0.006   0.084  -0.009  -0.050  -0.040   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.170  -0.021   0.003  -0.006  -0.006  -0.136   0.025  -0.002   0.007   0.001  -0.004   0.007   0.126   0.002  -0.000
  0.357   0.008  -0.003  -0.017   0.019  -0.289  -0.007   0.002   0.009  -0.015   0.002   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.63: real time    1.65
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.62: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   470.05136   470.05136   470.05136
  Ewald   -2481.20398 -3164.99330 -2719.45382   -23.61129   -19.98465    12.71619
  Hartree   840.96377   351.69024   671.61580   -15.06216    -0.03460     7.87560
  E(xc)    -540.96048  -541.62838  -541.11516    -0.03023    -0.13039     0.01792
  Local    -578.38354   592.50088  -171.19968    38.01711    18.76110   -20.06793
  n-local  -102.99966   -99.76141  -101.72713     0.30831     0.70763    -0.28470
  augment   723.70082   723.16187   723.27236     0.06948     0.15300    -0.06349
  Kinetic  1668.95527  1669.29605  1668.63318     0.26148     0.56893    -0.19779
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.12356     0.31731     0.07690    -0.04730     0.04103    -0.00421
  in kB       0.77024     1.97809     0.47941    -0.29485     0.25576    -0.02626
  external pressure =        1.08 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.01
      direct lattice vectors                 reciprocal lattice vectors
     4.102696866 -0.098270976  0.141529547     0.243366487  0.100695700  0.080806731
    -3.906301178  8.721255058  0.896830122     0.002667909  0.115559116  0.002900356
    -2.324876625 -0.126002323  7.158870792    -0.005145534 -0.016467445  0.137725957

  length of vectors
     4.106313356  9.598113510  7.527971767     0.275493374  0.115626291  0.138802351


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.327E+01 -.155E+03 0.272E+02   0.344E+01 0.158E+03 -.275E+02   -.169E+00 -.283E+01 0.311E+00   0.358E-04 0.767E-03 0.674E-04
   0.324E+01 0.155E+03 -.272E+02   -.340E+01 -.158E+03 0.276E+02   0.170E+00 0.283E+01 -.312E+00   -.422E-04 -.761E-03 -.633E-04
   0.303E+01 0.144E+03 0.694E+01   -.313E+01 -.146E+03 -.675E+01   0.105E+00 0.129E+01 -.176E+00   0.133E-04 -.110E-02 -.376E-03
   -.220E-01 -.654E+02 -.408E+02   0.382E-01 0.651E+02 0.416E+02   -.154E-01 0.346E+00 -.841E+00   0.919E-04 0.898E-03 -.798E-04
   0.591E+01 0.964E+02 -.958E+02   -.598E+01 -.977E+02 0.972E+02   0.800E-01 0.126E+01 -.141E+01   -.852E-04 -.541E-03 0.477E-03
   -.716E-01 0.219E-01 -.267E-01   0.712E-01 -.220E-01 0.269E-01   0.160E-02 -.774E-03 0.349E-03   -.287E-05 -.262E-05 -.157E-06
   -.588E+01 -.965E+02 0.959E+02   0.596E+01 0.977E+02 -.973E+02   -.802E-01 -.126E+01 0.140E+01   0.845E-04 0.542E-03 -.479E-03
   -.296E+01 -.144E+03 -.693E+01   0.306E+01 0.146E+03 0.674E+01   -.107E+00 -.129E+01 0.176E+00   -.174E-04 0.110E-02 0.380E-03
   0.536E-01 0.654E+02 0.407E+02   -.693E-01 -.651E+02 -.415E+02   0.143E-01 -.344E+00 0.843E+00   -.955E-04 -.894E-03 0.792E-04
   0.879E-02 0.179E-01 -.678E-02   -.864E-02 -.178E-01 0.643E-02   -.137E-03 -.390E-03 0.477E-03   0.231E-06 0.100E-05 -.274E-06
   0.897E+00 0.936E+01 -.279E+02   -.902E+00 -.919E+01 0.278E+02   0.543E-02 -.174E+00 0.905E-01   0.102E-04 0.125E-03 0.519E-04
   -.912E+00 -.936E+01 0.279E+02   0.918E+00 0.919E+01 -.278E+02   -.524E-02 0.174E+00 -.906E-01   -.115E-04 -.124E-03 -.530E-04
   0.841E+00 -.840E+01 -.209E+02   -.801E+00 0.844E+01 0.206E+02   -.417E-01 -.486E-01 0.269E+00   -.169E-04 0.417E-04 -.680E-05
   -.156E+01 -.616E+02 0.356E+01   0.155E+01 0.615E+02 -.384E+01   0.105E-02 0.730E-01 0.270E+00   0.101E-04 0.227E-03 -.432E-04
   -.842E+00 0.844E+01 0.209E+02   0.803E+00 -.848E+01 -.206E+02   0.419E-01 0.479E-01 -.269E+00   0.148E-04 -.371E-04 0.762E-05
   0.154E+01 0.616E+02 -.354E+01   -.154E+01 -.615E+02 0.381E+01   -.876E-03 -.730E-01 -.271E+00   -.972E-05 -.230E-03 0.432E-04
 -----------------------------------------------------------------------------------------------
   0.513E-03 -.310E-03 0.693E-04   0.229E-13 0.355E-13 0.119E-12   -.591E-03 0.133E-02 0.230E-03   -.204E-04 0.165E-04 0.457E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06925      6.32406      7.88243        -0.001253     -0.015438     -0.009918
     -2.90729      8.10590      4.51083         0.001902      0.015423      0.010050
     -1.04547      1.14257      4.61882        -0.000612      0.000652      0.005811
     -2.89976      5.21599      2.39872         0.000906      0.000443     -0.011569
      1.19284      1.82686      0.30584         0.004231     -0.000265     -0.005719
     -3.08661      2.90357      5.67745         0.001248     -0.000887      0.000445
     -0.93817      4.00764      4.03193        -0.004541      0.001248      0.004153
     -1.02459      4.56619      6.87753        -0.000633     -0.000841     -0.005809
      3.15453      0.61814      1.93852        -0.001515     -0.000081      0.012920
     -5.03951      7.26426      6.12581         0.000023     -0.000347      0.000106
     -0.84640      3.62027      1.25356        -0.000270      0.001130      0.000395
      1.10097      2.21409      3.08408         0.000269     -0.000628     -0.000519
     -0.84520      6.67343      3.43968        -0.002263     -0.004920      0.005170
     -2.99454      5.49511      5.13524        -0.000332      0.006748     -0.002005
     -2.80646      7.88239      1.79472         0.002322      0.004697     -0.005223
      0.92435      0.21368      6.36118         0.000517     -0.006936      0.001712
 -----------------------------------------------------------------------------------
    total drift:                               -0.000098      0.001032      0.000304


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87673792 eV

  energy  without entropy=      -49.88205643  energy(sigma->0) =      -49.87851076
 
 d Force = 0.1787771E-04[ 0.165E-04, 0.193E-04]  d Energy = 0.3017080E-04-0.123E-04
 d Force =-0.1806818E+00[-0.181E+00,-0.181E+00]  d Ewald  = 0.1131158E+01-0.131E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  126.80: real time  128.19


----------------------------------------- Iteration    7(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.77: real time   16.84
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.49: real time   18.56

 eigenvalue-minimisa     EDDAV:  cpu time   19.93: real time   20.03
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.67: real time   21.79

 eigenvalue-minimisations  :  9360
 total energy-change (2. order) : 0.1852196E-04  (-0.6121698E-05)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529178 magnetization 

 Broyden mixing:
  rms(total) = 0.12596E-02    rms(broyden)= 0.12595E-02
  rms(prec ) = 0.16880E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4326
  0.8581  2.0071

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09167298
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45991708
  PAW double counting   =      9486.90821376    -9414.87340005
  entropy T*S    EENTRO =         0.00493872
  eigenvalues    EBANDS =      -338.73551300
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN       EDDAV:  cpu time   17.65: real time   17.75
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.37: real time   19.47

 eigenvalue-minimisations  :  7952
 total energy-change (2. order) : 0.1774863E-02  (-0.5021646E-03)
 number of electron     120     EDDAV:  cpu time   17.82: real time   17.89
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.54: real time   19.63

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) : 0.4785194E-05  (-0.1337103E-05)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0528819 magnetization 

 Broyden mixing:
  rms(total) = 0.41602E-03    rms(broyden)= 0.41601E-03
  rms(prec ) = 0.47519E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3694
  1.9856  0.9479  1.1747

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09410605
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46012894
  PAW double counting   =      9486.82720833    -9414.79297380
  entropy T*S    EENTRO =         0.00494332
  eigenvalues    EBANDS =      -338.73271244
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free e     EDDAV:  cpu time   17.65: real time   17.71
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.68: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.36: real time   19.46

 eigenvalue-minimisations  :  7952
 total energy-change (2. order) : 0.3715357E-03  (-0.5017248E-04)
 number of electron     120.0000051 magneti     EDDAV:  cpu time   19.15: real time   19.23
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.87: real time   20.97

 eigenvalue-minimisations  :  8864
 total energy-change (2. order) : 0.8708776E-07  (-0.1116902E-06)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529230 magnetization 

 Broyden mixing:
  rms(total) = 0.27093E-03    rms(broyden)= 0.27092E-03
  rms(prec ) = 0.28567E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5399
  2.2030  2.2030  0.9489  0.8050

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09257320
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46010583
  PAW double counting   =      9486.79645720    -9414.76236324
  entropy T*S    EENTRO =         0.00494403
  eigenvalues    EBANDS =      -338.73408222
  atomic energy  EATOM  =      9754.20957531
  --------------------------------------------     EDDAV:  cpu time   17.75: real time   17.83
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.49: real time   19.59

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.1076686E-03  (-0.1855265E-04)
 number of electron     120.0000051 magnetization 
 augment     EDDAV:  cpu time   13.58: real time   13.64
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.61: real time   13.68

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) : 0.3177956E-07  (-0.8276369E-08)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529230 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09284498
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46013893
  PAW double counting   =      9486.76780286    -9414.73383454
  entropy T*S    EENTRO =         0.00494468
  eigenvalues    EBANDS =      -338.73371853
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87785999 eV

  energy without entropy =      -49.88280467  energy(sigma->0) =      -49.87950822
-----




----------------------------------------- Iteration    7(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.74: real time   18.81
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.48: real time   20.57

 eigenvalue-minimisations  :  8624
 total energy-change (2. order) : 0.1179911E-05  (-0.1485873E-05)
 number of electron     120.0000051 magnetization 
 augmentation part       42.0483159 magnetization 

 Broyden mixing:
  rms(total) = 0.13077E-02    rms(broyden)= 0.13077E-02
  rms(prec ) = 0.13414E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6078
  2.3029  2.3029  0.9724  0.8530

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.79451229
  Ewald energy   TEWEN  =     -8363.01746288
  -1/2 Hartree   DENC   =     -1866.06692942
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.49282095
  PAW double counting   =      9488.17173037    -9416.13343976
  entropy T*S    EENTRO =         0.00529294
  eigenvalues    EBANDS =      -337.33321000
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87711020 eV

  energy without entropy =      -49.88240315  energy(sigma->0) =      -49.87887452
.00000
     24       1.1844      2.00000
     25       1.2179      2.00000
     26       1.2813      2.00000
     27       1.3106      2.00000
     28       1.5804      2.00000
     29       1.6498      2.00000
     30       1.7127      2.00000
     31       1.7389      2.00000
     32       1.7908      2.00000
     33       1.9205      2.00000
     34       1.9392      2.00000
     35       2.1487      2.00000
     36       2.1720      2.00000
     37       2.2757      2.00000
     38       2.3097      2.00000
     39       2.4470      2.00000
     40       2.5288      2.00000
     41       2.5855      2.00000
     42       2.6375      2.00000
     43       2.7250      2.00000
     44       2.8671      2.00000
     45       2.8721      2.00000
     46       2.9048      2.00000
     47       2.9997      2.00000
     48       3.0433      2.00000
     49       3.1000      2.00000
     50       3.1300      2.00000
     51       3.3283      2.00000
     52       3.3819      2.00000
     53       3.5001      2.00000
     54       3.5831      2.00000
     55       3.8940      2.00000
     56       4.0708      2.00000
     57       4.2285      2.00000
     58       4.2321      2.00000
     59       4.9515      2.00000
     60       5.6197      2.01635
     61       6.2821     -0.06853
     62       8.1913     -0.00000
     63       8.2935     -0.00000
     64       8.3216     -0.00000
     65       8.9361     -0.00000
     66       9.6690     -0.00000
     67      10.3846     -0.00000
     68      10.7379     -0.00000
     69      11.4822      0.00000
     70      11.7681      0.00000
     71      11.8255      0.00000
     72      12.0571      0.00000
     73      12.2693      0.00000
     74      12.3453      0.00000
     75      12.5157      0.00000
     76      12.7933      0.00000
     77      13.2925      0.00000
     78      13.6646      0.00000
     79      13.7873      0.00000
     80      14.6401      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.6741      2.00000
      9      -0.5760      2.00000
     10      -0.2735      2.00000
     11       0.2590      2.00000
     12       0.2795      2.00000
     13       0.3863      2.00000
     14       0.4633      2.00000
     15       0.5965      2.00000
     16       0.6107      2.00000
     17       0.7296      2.00000
     18       0.8220      2.00000
     19       0.9087      2.00000
     20       0.9331      2.00000
     21       0.9721      2.00000
     22       1.0979      2.00000
     23       1.1161      2.00000
     24       1.1953      2.00000
     25       1.2457      2.00000
     26       1.3480      2.00000
     27       1.3802      2.00000
     28       1.4941      2.00000
     29       1.6272      2.00000
     30       1.6603      2.00000
     31       1.7515      2.00000
     32       1.8210      2.00000
     33       1.8547      2.00000
     34       2.0093      2.00000
     35       2.0344      2.00000
     36       2.1717      2.00000
     37       2.2524      2.00000
     38       2.3600      2.00000
     39       2.4543      2.00000
     40       2.5027      2.00000
     41       2.5637      2.00000
     42       2.6048      2.00000
     43       2.6834      2.00000
     44       2.7336      2.00000
     45       2.8025      2.00000
     46       2.8204      2.00000
     47       2.9229      2.00000
     48       3.0513      2.00000
     49       3.1124      2.00000
     50       3.1949      2.00000
     51       3.2374      2.00000
     52       3.2698      2.00000
     53       3.4167      2.00000
     54       3.6152      2.00000
     55       3.7132      2.00000
     56       3.8492      2.00000
     57       4.0959      2.00000
     58       4.5830      2.00000
     59       5.5122      2.00202
     60       6.2782     -0.06936
     61       6.7937     -0.00000
     62       7.0999     -0.00000
     63       7.7166     -0.00000
     64       8.1639     -0.00000
     65       8.5844     -0.00000
     66       8.7192     -0.00000
     67       9.6377     -0.00000
     68      10.2945     -0.00000
     69      10.6172     -0.00000
     70      10.6615     -0.00000
     71      11.1318     -0.00000
     72      11.7208      0.00000
     73      12.5540      0.00000
     74      12.9452      0.00000
     75      13.2273      0.00000
     76      13.2933      0.00000
     77      13.4792      0.00000
     78      13.8567      0.00000
     79      14.4478      0.00000
     80      14.7135      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0337      2.00000
      9      -0.4152      2.00000
     10      -0.1255      2.00000
     11       0.3188      2.00000
     12       0.4211      2.00000
     13       0.4973      2.00000
     14       0.5846      2.00000
     15       0.6447      2.00000
     16       0.7331      2.00000
     17       0.8376      2.00000
     18       0.9138      2.00000
     19       0.9946      2.00000
     20       1.0402      2.00000
     21       1.0743      2.00000
     22       1.1722      2.00000
     23       1.2279      2.00000
     24       1.2791      2.00000
     25       1.3075      2.00000
     26       1.3565      2.00000
     27       1.4536      2.00000
     28       1.5514      2.00000
     29       1.6050      2.00000
     30       1.7248      2.00000
     31       1.8125      2.00000
     32       1.8576      2.00000
     33       1.9581      2.00000
     34       2.0154      2.00000
     35       2.1096      2.00000
     36       2.1230      2.00000
     37       2.1885      2.00000
     38       2.2531      2.00000
     39       2.3054      2.00000
     40       2.4004      2.00000
     41       2.4887      2.00000
     42       2.5374      2.00000
     43       2.6541      2.00000
     44       2.6934      2.00000
     45       2.7431      2.00000
     46       2.7947      2.00000
     47       2.8388      2.00000
     48       2.9239      2.00000
     49       3.0127      2.00000
     50       3.0983      2.00000
     51       3.1423      2.00000
     52       3.2350      2.00000
     53       3.3617      2.00000
     54       3.4572      2.00000
     55       3.5809      2.00000
     56       3.8201      2.00000
     57       4.6137      2.00000
     58       5.0078      2.00000
     59       5.4445      2.00038
     60       5.7867      2.06943
     61       6.4817     -0.00505
     62       6.8374     -0.00000
     63       6.9850     -0.00000
     64       7.5270     -0.00000
     65       7.9949     -0.00000
     66       8.3453     -0.00000
     67       8.6858     -0.00000
     68       9.4198     -0.00000
     69       9.8053     -0.00000
     70      10.3533     -0.00000
     71      10.4743     -0.00000
     72      10.7880     -0.00000
     73      11.4094     -0.00000
     74      12.1883      0.00000
     75      13.1266      0.00000
     76      13.6931      0.00000
     77      13.7584      0.00000
     78      13.8772      0.00000
     79      14.2860      0.00000
     80      14.6924      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3922      2.00000
      9      -0.1113      2.00000
     10       0.0907      2.00000
     11       0.1613      2.00000
     12       0.4829      2.00000
     13       0.5082      2.00000
     14       0.5582      2.00000
     15       0.6332      2.00000
     16       0.8250      2.00000
     17       0.9161      2.00000
     18       0.9315      2.00000
     19       1.1112      2.00000
     20       1.1676      2.00000
     21       1.1840      2.00000
     22       1.2642      2.00000
     23       1.3702      2.00000
     24       1.3897      2.00000
     25       1.4044      2.00000
     26       1.4772      2.00000
     27       1.5160      2.00000
     28       1.6438      2.00000
     29       1.6826      2.00000
     30       1.7324      2.00000
     31       1.8032      2.00000
     32       1.9104      2.00000
     33       1.9553      2.00000
     34       2.0617      2.00000
     35       2.1461      2.00000
     36       2.1633      2.00000
     37       2.1832      2.00000
     38       2.2789      2.00000
     39       2.3137      2.00000
     40       2.3713      2.00000
     41       2.4621      2.00000
     42       2.4804      2.00000
     43       2.5484      2.00000
     44       2.6391      2.00000
     45       2.6707      2.00000
     46       2.7578      2.00000
     47       2.8020      2.00000
     48       2.8401      2.00000
     49       2.9231      2.00000
     50       3.0599      2.00000
     51       3.1633      2.00000
     52       3.2685      2.00000
     53       3.3637      2.00000
     54       3.5551      2.00000
     55       3.6382      2.00000
     56       3.8240      2.00000
     57       4.1482      2.00000
     58       4.2969      2.00000
     59       5.1362      2.00000
     60       5.8638      1.96535
     61       6.0515      0.72329
     62       6.1750      0.02877
     63       6.8172     -0.00000
     64       7.0782     -0.00000
     65       7.6677     -0.00000
     66       8.2151     -0.00000
     67       8.4844     -0.00000
     68       8.8333     -0.00000
     69       9.4864     -0.00000
     70       9.7764     -0.00000
     71      10.5257     -0.00000
     72      10.9671     -0.00000
     73      11.1362     -0.00000
     74      11.7861      0.00000
     75      12.2802      0.00000
     76      12.7652      0.00000
     77      13.4090      0.00000
     78      13.7796      0.00000
     79      13.9611      0.00000
     80      14.6489      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4467      2.00000
      9      -0.1807      2.00000
     10       0.0365      2.00000
     11       0.1352      2.00000
     12       0.5028      2.00000
     13       0.5250      2.00000
     14       0.7025      2.00000
     15       0.7394      2.00000
     16       0.8723      2.00000
     17       0.9121      2.00000
     18       0.9886      2.00000
     19       1.0666      2.00000
     20       1.0866      2.00000
     21       1.2394      2.00000
     22       1.2756      2.00000
     23       1.3271      2.00000
     24       1.3846      2.00000
     25       1.3932      2.00000
     26       1.4462      2.00000
     27       1.4930      2.00000
     28       1.6667      2.00000
     29       1.6992      2.00000
     30       1.7449      2.00000
     31       1.8020      2.00000
     32       1.8787      2.00000
     33       1.9047      2.00000
     34       2.0433      2.00000
     35       2.0824      2.00000
     36       2.1452      2.00000
     37       2.1618      2.00000
     38       2.2306      2.00000
     39       2.3386      2.00000
     40       2.4408      2.00000
     41       2.4636      2.00000
     42       2.5413      2.00000
     43       2.5824      2.00000
     44       2.6265      2.00000
     45       2.6751      2.00000
     46       2.7323      2.00000
     47       2.8089      2.00000
     48       2.8479      2.00000
     49       2.9087      2.00000
     50       3.0980      2.00000
     51       3.1807      2.00000
     52       3.2062      2.00000
     53       3.5188      2.00000
     54       3.5517      2.00000
     55       3.7419      2.00000
     56       4.2019      2.00000
     57       4.3922      2.00000
     58       4.5657      2.00000
     59       4.7233      2.00000
     60       5.1856      2.00000
     61       5.6190      2.01617
     62       6.0839      0.47700
     63       6.1009      0.36313
     64       7.1037     -0.00000
     65       8.2635     -0.00000
     66       8.3968     -0.00000
     67       8.9081     -0.00000
     68       9.1535     -0.00000
     69       9.2530     -0.00000
     70       9.9627     -0.00000
     71      10.4669     -0.00000
     72      10.5985     -0.00000
     73      11.3551     -0.00000
     74      11.9244      0.00000
     75      12.5773      0.00000
     76      13.1553      0.00000
     77      13.5172      0.00000
     78      13.8798      0.00000
     79      14.1324      0.00000
     80      14.4505      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1641      2.00000
      9      -0.4823      2.00000
     10       0.0236      2.00000
     11       0.1458      2.00000
     12       0.5186      2.00000
     13       0.5867      2.00000
     14       0.6480      2.00000
     15       0.6864      2.00000
     16       0.8194      2.00000
     17       0.8341      2.00000
     18       0.8693      2.00000
     19       0.9571      2.00000
     20       1.0865      2.00000
     21       1.1270      2.00000
     22       1.1849      2.00000
     23       1.2069      2.00000
     24       1.3032      2.00000
     25       1.3374      2.00000
     26       1.3940      2.00000
     27       1.4442      2.00000
     28       1.4754      2.00000
     29       1.6360      2.00000
     30       1.7363      2.00000
     31       1.7622      2.00000
     32       1.8393      2.00000
     33       1.9004      2.00000
     34       1.9604      2.00000
     35       2.0565      2.00000
     36       2.1588      2.00000
     37       2.2258      2.00000
     38       2.2947      2.00000
     39       2.3619      2.00000
     40       2.4405      2.00000
     41       2.5179      2.00000
     42       2.5563      2.00000
     43       2.6029      2.00000
     44       2.6578      2.00000
     45       2.7679      2.00000
     46       2.7914      2.00000
     47       2.8751      2.00000
     48       2.8881      2.00000
     49       3.0465      2.00000
     50       3.0898      2.00000
     51       3.1364      2.00000
     52       3.2085      2.00000
     53       3.3178      2.00000
     54       3.5305      2.00000
     55       3.6996      2.00000
     56       4.0999      2.00000
     57       4.4553      2.00000
     58       4.8476      2.00000
     59       5.4948      2.00135
     60       5.7024      2.04801
     61       6.0814      0.49486
     62       6.3623     -0.03539
     63       6.9674     -0.00000
     64       7.1847     -0.00000
     65       7.5820     -0.00000
     66       8.2239     -0.00000
     67       8.9796     -0.00000
     68       9.2525     -0.00000
     69      10.2387     -0.00000
     70      11.0402     -0.00000
     71      11.3138     -0.00000
     72      11.6841      0.00000
     73      12.1238      0.00000
     74      12.3691      0.00000
     75      12.7906      0.00000
     76      13.4238      0.00000
     77      13.6318      0.00000
     78      13.9004      0.00000
     79      14.2893      0.00000
     80      14.4110      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.7581      2.00000
      9      -0.6377      2.00000
     10       0.0396      2.00000
     11       0.1781      2.00000
     12       0.3289      2.00000
     13       0.3362      2.00000
     14       0.4036      2.00000
     15       0.6242      2.00000
     16       0.6418      2.00000
     17       0.7314      2.00000
     18       0.8105      2.00000
     19       0.8833      2.00000
     20       0.9066      2.00000
     21       1.0591      2.00000
     22       1.0636      2.00000
     23       1.1497      2.00000
     24       1.2158      2.00000
     25       1.2756      2.00000
     26       1.3002      2.00000
     27       1.3305      2.00000
     28       1.4610      2.00000
     29       1.6626      2.00000
     30       1.6810      2.00000
     31       1.7687      2.00000
     32       1.8292      2.00000
     33       1.9019      2.00000
     34       1.9222      2.00000
     35       2.0769      2.00000
     36       2.1540      2.00000
     37       2.2844      2.00000
     38       2.3331      2.00000
     39       2.3814      2.00000
     40       2.4842      2.00000
     41       2.5193      2.00000
     42       2.6181      2.00000
     43       2.7388      2.00000
     44       2.7952      2.00000
     45       2.8252      2.00000
     46       2.8704      2.00000
     47       2.9329      2.00000
     48       3.0232      2.00000
     49       3.0902      2.00000
     50       3.1246      2.00000
     51       3.2077      2.00000
     52       3.2654      2.00000
     53       3.4345      2.00000
     54       3.6780      2.00000
     55       3.7919      2.00000
     56       3.9473      2.00000
     57       4.1215      2.00000
     58       4.8581      2.00000
     59       5.0448      2.00000
     60       5.5616      2.00577
     61       6.7239     -0.00001
     62       7.1763     -0.00000
     63       7.7277     -0.00000
     64       8.2266     -0.00000
     65       8.6989     -0.00000
     66       8.9785     -0.00000
     67       9.3894     -0.00000
     68      10.1919     -0.00000
     69      10.7687     -0.00000
     70      10.8293     -0.00000
     71      11.4126     -0.00000
     72      12.4724      0.00000
     73      12.8938      0.00000
     74      13.0711      0.00000
     75      13.2659      0.00000
     76      13.4417      0.00000
     77      13.8067      0.00000
     78      13.8767      0.00000
     79      14.3088      0.00000
     80      14.4215      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6570      2.00000
      5     -39.6565      2.00000
      6     -39.6172      2.00000
      7     -39.6025      2.00000
      8      -1.8659      2.00000
      9      -0.8996      2.00000
     10      -0.0331      2.00000
     11       0.1598      2.00000
     12       0.2094      2.00000
     13       0.2940      2.00000
     14       0.4256      2.00000
     15       0.5785      2.00000
     16       0.6085      2.00000
     17       0.6205      2.00000
     18       0.6857      2.00000
     19       0.7706      2.00000
     20       0.8412      2.00000
     21       0.9336      2.00000
     22       1.0357      2.00000
     23       1.0774      2.00000
     24       1.2472      2.00000
     25       1.2952      2.00000
     26       1.3922      2.00000
     27       1.4158      2.00000
     28       1.5884      2.00000
     29       1.6052      2.00000
     30       1.6475      2.00000
     31       1.7030      2.00000
     32       1.8030      2.00000
     33       1.8827      2.00000
     34       1.9423      2.00000
     35       2.1663      2.00000
     36       2.2216      2.00000
     37       2.2320      2.00000
     38       2.2927      2.00000
     39       2.4414      2.00000
     40       2.4985      2.00000
     41       2.6199      2.00000
     42       2.6593      2.00000
     43       2.6663      2.00000
     44       2.8177      2.00000
     45       2.8386      2.00000
     46       2.8838      2.00000
     47       2.9056      2.00000
     48       3.0582      2.00000
     49       3.1070      2.00000
     50       3.1462      2.00000
     51       3.3202      2.00000
     52       3.3636      2.00000
     53       3.4561      2.00000
     54       3.6319      2.00000
     55       3.9580      2.00000
     56       4.2207      2.00000
     57       4.2300      2.00000
     58       4.3458      2.00000
     59       4.8929      2.00000
     60       6.2822     -0.06849
     61       6.4939     -0.00393
     62       6.9249     -0.00000
     63       7.1937     -0.00000
     64       8.8160     -0.00000
     65       9.5503     -0.00000
     66       9.7096     -0.00000
     67       9.8963     -0.00000
     68      10.9892     -0.00000
     69      11.1977     -0.00000
     70      11.2871     -0.00000
     71      11.4551     -0.00000
     72      12.3099      0.00000
     73      12.6892      0.00000
     74      13.1316      0.00000
     75      13.3922      0.00000
     76      13.5256      0.00000
     77      13.8229      0.00000
     78      13.9903      0.00000
     79      14.2726      0.00000
     80      14.5304      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5854      2.00000
      9      -0.8191      2.00000
     10      -0.1496      2.00000
     11       0.2251      2.00000
     12       0.2621      2.00000
     13       0.4229      2.00000
     14       0.4999      2.00000
     15       0.5725      2.00000
     16       0.6172      2.00000
     17       0.6862      2.00000
     18       0.7840      2.00000
     19       0.8851      2.00000
     20       0.9553      2.00000
     21       0.9809      2.00000
     22       1.0498      2.00000
     23       1.1533      2.00000
     24       1.2123      2.00000
     25       1.2928      2.00000
     26       1.3665      2.00000
     27       1.3990      2.00000
     28       1.5273      2.00000
     29       1.5624      2.00000
     30       1.6174      2.00000
     31       1.6698      2.00000
     32       1.8873      2.00000
     33       1.9665      2.00000
     34       2.0177      2.00000
     35       2.1585      2.00000
     36       2.1843      2.00000
     37       2.2660      2.00000
     38       2.3146      2.00000
     39       2.3631      2.00000
     40       2.3870      2.00000
     41       2.4470      2.00000
     42       2.6536      2.00000
     43       2.6692      2.00000
     44       2.7712      2.00000
     45       2.7895      2.00000
     46       2.8386      2.00000
     47       2.9808      2.00000
     48       3.0090      2.00000
     49       3.1151      2.00000
     50       3.1766      2.00000
     51       3.1858      2.00000
     52       3.3046      2.00000
     53       3.4567      2.00000
     54       3.6465      2.00000
     55       3.6991      2.00000
     56       3.8886      2.00000
     57       4.4338      2.00000
     58       4.9015      2.00000
     59       5.5413      2.00381
     60       5.8572      1.98287
     61       6.5044     -0.00315
     62       7.0414     -0.00000
     63       7.5203     -0.00000
     64       8.0694     -0.00000
     65       8.3106     -0.00000
     66       8.9191     -0.00000
     67       9.4019     -0.00000
     68       9.6675     -0.00000
     69      10.4599     -0.00000
     70      12.0051      0.00000
     71      12.3047      0.00000
     72      12.3949      0.00000
     73      12.5562      0.00000
     74      12.7185      0.00000
     75      12.8471      0.00000
     76      13.3234      0.00000
     77      13.6018      0.00000
     78      13.9215      0.00000
     79      14.0037      0.00000
     80      14.4144      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6054      2.00000
      8      -1.0294      2.00000
      9      -0.3881      2.00000
     10      -0.1357      2.00000
     11       0.3188      2.00000
     12       0.3954      2.00000
     13       0.4933      2.00000
     14       0.5301      2.00000
     15       0.6703      2.00000
     16       0.7786      2.00000
     17       0.8117      2.00000
     18       0.9290      2.00000
     19       0.9392      2.00000
     20       1.0250      2.00000
     21       1.0709      2.00000
     22       1.1602      2.00000
     23       1.2146      2.00000
     24       1.3027      2.00000
     25       1.3504      2.00000
     26       1.4090      2.00000
     27       1.4748      2.00000
     28       1.5448      2.00000
     29       1.6111      2.00000
     30       1.7507      2.00000
     31       1.8221      2.00000
     32       1.8847      2.00000
     33       1.9217      2.00000
     34       1.9867      2.00000
     35       2.0402      2.00000
     36       2.0811      2.00000
     37       2.1347      2.00000
     38       2.2121      2.00000
     39       2.3108      2.00000
     40       2.4633      2.00000
     41       2.5002      2.00000
     42       2.5613      2.00000
     43       2.6216      2.00000
     44       2.6814      2.00000
     45       2.7943      2.00000
     46       2.8200      2.00000
     47       2.8726      2.00000
     48       2.9194      2.00000
     49       2.9710      2.00000
     50       3.0817      2.00000
     51       3.1695      2.00000
     52       3.2452      2.00000
     53       3.2817      2.00000
     54       3.4676      2.00000
     55       3.6064      2.00000
     56       4.0071      2.00000
     57       4.4748      2.00000
     58       5.2545      2.00000
     59       5.6781      2.03699
     60       5.8998      1.83321
     61       6.2906     -0.06618
     62       6.5213     -0.00216
     63       6.6967     -0.00002
     64       7.4401     -0.00000
     65       7.6870     -0.00000
     66       8.1040     -0.00000
     67       9.1339     -0.00000
     68       9.8264     -0.00000
     69       9.9452     -0.00000
     70      10.1185     -0.00000
     71      11.0971     -0.00000
     72      11.1851     -0.00000
     73      11.7645      0.00000
     74      12.0737      0.00000
     75      12.4190      0.00000
     76      12.7696      0.00000
     77      13.2898      0.00000
     78      13.6691      0.00000
     79      14.0638      0.00000
     80      14.4145      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3927      2.00000
      9      -0.0891      2.00000
     10       0.0693      2.00000
     11       0.1427      2.00000
     12       0.4139      2.00000
     13       0.5155      2.00000
     14       0.6031      2.00000
     15       0.7115      2.00000
     16       0.8487      2.00000
     17       0.9017      2.00000
     18       0.9114      2.00000
     19       1.0939      2.00000
     20       1.1498      2.00000
     21       1.1799      2.00000
     22       1.2436      2.00000
     23       1.3133      2.00000
     24       1.3989      2.00000
     25       1.4592      2.00000
     26       1.4906      2.00000
     27       1.5944      2.00000
     28       1.6656      2.00000
     29       1.7094      2.00000
     30       1.7289      2.00000
     31       1.8329      2.00000
     32       1.8778      2.00000
     33       1.9574      2.00000
     34       1.9793      2.00000
     35       2.0712      2.00000
     36       2.1202      2.00000
     37       2.2330      2.00000
     38       2.2992      2.00000
     39       2.3457      2.00000
     40       2.3871      2.00000
     41       2.4543      2.00000
     42       2.5105      2.00000
     43       2.5240      2.00000
     44       2.6239      2.00000
     45       2.6893      2.00000
     46       2.7298      2.00000
     47       2.7923      2.00000
     48       2.8431      2.00000
     49       2.8700      2.00000
     50       3.0672      2.00000
     51       3.1388      2.00000
     52       3.2680      2.00000
     53       3.3238      2.00000
     54       3.4795      2.00000
     55       3.5866      2.00000
     56       3.7321      2.00000
     57       4.4112      2.00000
     58       4.7754      2.00000
     59       5.1263      2.00000
     60       5.6599      2.02947
     61       5.9459      1.57076
     62       6.2079     -0.03764
     63       6.5160     -0.00244
     64       6.7333     -0.00001
     65       7.7432     -0.00000
     66       8.0504     -0.00000
     67       8.5106     -0.00000
     68       9.3073     -0.00000
     69       9.7459     -0.00000
     70      10.1762     -0.00000
     71      10.8589     -0.00000
     72      10.9713     -0.00000
     73      11.3753     -0.00000
     74      11.5872      0.00000
     75      12.1245      0.00000
     76      12.4590      0.00000
     77      13.1271      0.00000
     78      13.4200      0.00000
     79      14.0168      0.00000
     80      14.2839      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4436      2.00000
      9      -0.1569      2.00000
     10      -0.0396      2.00000
     11       0.1342      2.00000
     12       0.5461      2.00000
     13       0.6627      2.00000
     14       0.6979      2.00000
     15       0.7271      2.00000
     16       0.7962      2.00000
     17       0.8805      2.00000
     18       0.9521      2.00000
     19       1.0804      2.00000
     20       1.1045      2.00000
     21       1.1364      2.00000
     22       1.2592      2.00000
     23       1.3345      2.00000
     24       1.3652      2.00000
     25       1.3894      2.00000
     26       1.5405      2.00000
     27       1.5845      2.00000
     28       1.6664      2.00000
     29       1.7121      2.00000
     30       1.7605      2.00000
     31       1.8140      2.00000
     32       1.8541      2.00000
     33       1.9586      2.00000
     34       2.0004      2.00000
     35       2.0899      2.00000
     36       2.1598      2.00000
     37       2.2387      2.00000
     38       2.3249      2.00000
     39       2.3377      2.00000
     40       2.4460      2.00000
     41       2.4665      2.00000
     42       2.4923      2.00000
     43       2.5182      2.00000
     44       2.5621      2.00000
     45       2.5791      2.00000
     46       2.7211      2.00000
     47       2.7578      2.00000
     48       2.8103      2.00000
     49       2.8801      2.00000
     50       3.1245      2.00000
     51       3.1619      2.00000
     52       3.2860      2.00000
     53       3.5087      2.00000
     54       3.5716      2.00000
     55       3.6440      2.00000
     56       4.0687      2.00000
     57       4.4075      2.00000
     58       4.5161      2.00000
     59       5.0049      2.00000
     60       5.1460      2.00000
     61       5.8146      2.05394
     62       6.1407      0.14966
     63       6.5084     -0.00288
     64       7.1544     -0.00000
     65       7.2556     -0.00000
     66       7.7673     -0.00000
     67       8.3280     -0.00000
     68       9.5450     -0.00000
     69       9.9786     -0.00000
     70      10.5771     -0.00000
     71      10.9988     -0.00000
     72      11.2552     -0.00000
     73      11.7954      0.00000
     74      12.0327      0.00000
     75      12.2633      0.00000
     76      12.8776      0.00000
     77      13.1385      0.00000
     78      13.3234      0.00000
     79      14.1329      0.00000
     80      14.3288      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6565      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.2098      2.00000
      9      -0.3469      2.00000
     10      -0.0787      2.00000
     11       0.1042      2.00000
     12       0.5468      2.00000
     13       0.5711      2.00000
     14       0.6357      2.00000
     15       0.7115      2.00000
     16       0.8427      2.00000
     17       0.8758      2.00000
     18       0.9422      2.00000
     19       1.0020      2.00000
     20       1.0811      2.00000
     21       1.1077      2.00000
     22       1.1716      2.00000
     23       1.2436      2.00000
     24       1.2607      2.00000
     25       1.3175      2.00000
     26       1.3842      2.00000
     27       1.3908      2.00000
     28       1.5500      2.00000
     29       1.6742      2.00000
     30       1.6982      2.00000
     31       1.8130      2.00000
     32       1.8816      2.00000
     33       1.9277      2.00000
     34       2.0044      2.00000
     35       2.0210      2.00000
     36       2.0532      2.00000
     37       2.1582      2.00000
     38       2.2038      2.00000
     39       2.3975      2.00000
     40       2.4378      2.00000
     41       2.4901      2.00000
     42       2.5380      2.00000
     43       2.6152      2.00000
     44       2.6600      2.00000
     45       2.7663      2.00000
     46       2.8529      2.00000
     47       2.8826      2.00000
     48       2.9176      2.00000
     49       3.0197      2.00000
     50       3.0527      2.00000
     51       3.1009      2.00000
     52       3.1894      2.00000
     53       3.2818      2.00000
     54       3.5270      2.00000
     55       3.6513      2.00000
     56       4.0038      2.00000
     57       4.3334      2.00000
     58       5.3229      2.00001
     59       5.4747      2.00083
     60       5.6635      2.03089
     61       5.8391      2.02148
     62       6.6311     -0.00013
     63       6.9557     -0.00000
     64       7.4553     -0.00000
     65       7.8307     -0.00000
     66       7.8965     -0.00000
     67       8.4559     -0.00000
     68       9.6974     -0.00000
     69       9.9872     -0.00000
     70      10.4211     -0.00000
     71      11.7482      0.00000
     72      12.2424      0.00000
     73      12.5555      0.00000
     74      12.8818      0.00000
     75      13.0831      0.00000
     76      13.3931      0.00000
     77      13.4528      0.00000
     78      13.5413      0.00000
     79      13.8819      0.00000
     80      14.1037      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.7453      2.00000
      9      -0.6729      2.00000
     10       0.0101      2.00000
     11       0.2310      2.00000
     12       0.3189      2.00000
     13       0.3390      2.00000
     14       0.4029      2.00000
     15       0.6253      2.00000
     16       0.6378      2.00000
     17       0.7162      2.00000
     18       0.8086      2.00000
     19       0.8741      2.00000
     20       0.9545      2.00000
     21       1.0166      2.00000
     22       1.0846      2.00000
     23       1.1515      2.00000
     24       1.2263      2.00000
     25       1.2579      2.00000
     26       1.3326      2.00000
     27       1.3968      2.00000
     28       1.4376      2.00000
     29       1.6028      2.00000
     30       1.6784      2.00000
     31       1.7227      2.00000
     32       1.8231      2.00000
     33       1.8758      2.00000
     34       1.9546      2.00000
     35       2.1306      2.00000
     36       2.1925      2.00000
     37       2.2558      2.00000
     38       2.3084      2.00000
     39       2.3962      2.00000
     40       2.5129      2.00000
     41       2.5357      2.00000
     42       2.6090      2.00000
     43       2.7216      2.00000
     44       2.7580      2.00000
     45       2.8002      2.00000
     46       2.8811      2.00000
     47       2.9632      2.00000
     48       2.9955      2.00000
     49       3.1174      2.00000
     50       3.1568      2.00000
     51       3.2075      2.00000
     52       3.2856      2.00000
     53       3.4315      2.00000
     54       3.6289      2.00000
     55       3.7790      2.00000
     56       3.9512      2.00000
     57       4.1549      2.00000
     58       4.5078      2.00000
     59       5.2781      2.00000
     60       6.0581      0.67036
     61       6.5834     -0.00048
     62       6.9939     -0.00000
     63       7.7940     -0.00000
     64       8.0694     -0.00000
     65       8.3267     -0.00000
     66       8.7174     -0.00000
     67       9.6816     -0.00000
     68      10.4548     -0.00000
     69      10.9109     -0.00000
     70      11.0348     -0.00000
     71      11.3040     -0.00000
     72      12.5010      0.00000
     73      12.8790      0.00000
     74      13.0370      0.00000
     75      13.1607      0.00000
     76      13.4999      0.00000
     77      13.5852      0.00000
     78      13.9413      0.00000
     79      14.3477      0.00000
     80      14.4774      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6172      2.00000
      7     -39.6025      2.00000
      8      -1.8583      2.00000
      9      -0.9357      2.00000
     10       0.0365      2.00000
     11       0.1677      2.00000
     12       0.2053      2.00000
     13       0.2884      2.00000
     14       0.4187      2.00000
     15       0.5904      2.00000
     16       0.6102      2.00000
     17       0.6201      2.00000
     18       0.6874      2.00000
     19       0.7204      2.00000
     20       0.8386      2.00000
     21       0.9473      2.00000
     22       1.0855      2.00000
     23       1.1003      2.00000
     24       1.1978      2.00000
     25       1.2676      2.00000
     26       1.3494      2.00000
     27       1.3617      2.00000
     28       1.5510      2.00000
     29       1.6482      2.00000
     30       1.6899      2.00000
     31       1.7082      2.00000
     32       1.7992      2.00000
     33       1.8662      2.00000
     34       1.8955      2.00000
     35       2.1225      2.00000
     36       2.2158      2.00000
     37       2.2520      2.00000
     38       2.3857      2.00000
     39       2.4325      2.00000
     40       2.5256      2.00000
     41       2.5903      2.00000
     42       2.6201      2.00000
     43       2.6766      2.00000
     44       2.8466      2.00000
     45       2.8673      2.00000
     46       2.9833      2.00000
     47       3.0440      2.00000
     48       3.0537      2.00000
     49       3.1249      2.00000
     50       3.1894      2.00000
     51       3.2751      2.00000
     52       3.3132      2.00000
     53       3.5407      2.00000
     54       3.6470      2.00000
     55       3.9172      2.00000
     56       3.9385      2.00000
     57       4.2147      2.00000
     58       4.4050      2.00000
     59       5.0013      2.00000
     60       5.5977      2.01130
     61       6.2231     -0.05483
     62       7.7527     -0.00000
     63       8.1709     -0.00000
     64       8.6133     -0.00000
     65       8.6468     -0.00000
     66       9.7746     -0.00000
     67      10.3945     -0.00000
     68      10.5928     -0.00000
     69      10.8093     -0.00000
     70      11.2535     -0.00000
     71      11.7417      0.00000
     72      12.4658      0.00000
     73      12.7236      0.00000
     74      12.8235      0.00000
     75      13.1413      0.00000
     76      13.2469      0.00000
     77      13.6843      0.00000
     78      14.4271      0.00000
     79      14.4910      0.00000
     80      14.5579      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.6569      2.00000
      9      -0.6545      2.00000
     10      -0.2091      2.00000
     11       0.2439      2.00000
     12       0.2896      2.00000
     13       0.4323      2.00000
     14       0.4377      2.00000
     15       0.5869      2.00000
     16       0.6306      2.00000
     17       0.7231      2.00000
     18       0.7783      2.00000
     19       0.8720      2.00000
     20       0.9368      2.00000
     21       0.9817      2.00000
     22       1.0778      2.00000
     23       1.1420      2.00000
     24       1.1749      2.00000
     25       1.2496      2.00000
     26       1.3609      2.00000
     27       1.3752      2.00000
     28       1.4942      2.00000
     29       1.6222      2.00000
     30       1.6439      2.00000
     31       1.7419      2.00000
     32       1.8761      2.00000
     33       1.8962      2.00000
     34       1.9971      2.00000
     35       2.0765      2.00000
     36       2.1773      2.00000
     37       2.2394      2.00000
     38       2.3193      2.00000
     39       2.4004      2.00000
     40       2.4734      2.00000
     41       2.5647      2.00000
     42       2.6327      2.00000
     43       2.7212      2.00000
     44       2.7642      2.00000
     45       2.8190      2.00000
     46       2.8505      2.00000
     47       2.9296      2.00000
     48       3.0197      2.00000
     49       3.0764      2.00000
     50       3.1413      2.00000
     51       3.2243      2.00000
     52       3.2575      2.00000
     53       3.5450      2.00000
     54       3.6703      2.00000
     55       3.7428      2.00000
     56       3.8107      2.00000
     57       4.0992      2.00000
     58       4.9362      2.00000
     59       5.0779      2.00000
     60       5.8213      2.04704
     61       6.8064     -0.00000
     62       7.1825     -0.00000
     63       7.7755     -0.00000
     64       8.6841     -0.00000
     65       8.9429     -0.00000
     66       9.1216     -0.00000
     67       9.4566     -0.00000
     68       9.6236     -0.00000
     69       9.7880     -0.00000
     70      10.9397     -0.00000
     71      11.5619      0.00000
     72      12.1327      0.00000
     73      12.3252      0.00000
     74      12.4761      0.00000
     75      13.1579      0.00000
     76      13.2974      0.00000
     77      13.6898      0.00000
     78      14.0807      0.00000
     79      14.3964      0.00000
     80      14.5341      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6565      2.00000
      6     -39.6147      2.00000
      7     -39.6054      2.00000
      8      -1.0768      2.00000
      9      -0.2697      2.00000
     10      -0.2112      2.00000
     11       0.2591      2.00000
     12       0.4245      2.00000
     13       0.5216      2.00000
     14       0.5575      2.00000
     15       0.6769      2.00000
     16       0.7885      2.00000
     17       0.8335      2.00000
     18       0.9107      2.00000
     19       1.0021      2.00000
     20       1.0911      2.00000
     21       1.0993      2.00000
     22       1.1467      2.00000
     23       1.1973      2.00000
     24       1.2292      2.00000
     25       1.2747      2.00000
     26       1.3564      2.00000
     27       1.4934      2.00000
     28       1.5801      2.00000
     29       1.6364      2.00000
     30       1.6625      2.00000
     31       1.8187      2.00000
     32       1.8397      2.00000
     33       1.9961      2.00000
     34       2.0043      2.00000
     35       2.0656      2.00000
     36       2.1672      2.00000
     37       2.2044      2.00000
     38       2.2451      2.00000
     39       2.2980      2.00000
     40       2.3722      2.00000
     41       2.5079      2.00000
     42       2.6281      2.00000
     43       2.6547      2.00000
     44       2.7201      2.00000
     45       2.7584      2.00000
     46       2.8019      2.00000
     47       2.8358      2.00000
     48       2.9309      2.00000
     49       2.9509      2.00000
     50       3.0939      2.00000
     51       3.1184      2.00000
     52       3.2069      2.00000
     53       3.4118      2.00000
     54       3.4934      2.00000
     55       3.5861      2.00000
     56       3.6851      2.00000
     57       4.4236      2.00000
     58       4.7948      2.00000
     59       5.4319      2.00027
     60       5.9916      1.22374
     61       6.6011     -0.00030
     62       6.9380     -0.00000
     63       7.0313     -0.00000
     64       7.3307     -0.00000
     65       8.2603     -0.00000
     66       8.5033     -0.00000
     67       8.8284     -0.00000
     68       9.3331     -0.00000
     69       9.9697     -0.00000
     70      10.1786     -0.00000
     71      10.3267     -0.00000
     72      11.0777     -0.00000
     73      11.7724      0.00000
     74      12.1335      0.00000
     75      12.3045      0.00000
     76      12.9699      0.00000
     77      13.7668      0.00000
     78      13.8213      0.00000
     79      14.0889      0.00000
     80      14.2182      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3674      2.00000
      9      -0.1443      2.00000
     10       0.0797      2.00000
     11       0.1444      2.00000
     12       0.4552      2.00000
     13       0.5633      2.00000
     14       0.6362      2.00000
     15       0.6851      2.00000
     16       0.7318      2.00000
     17       0.8904      2.00000
     18       0.9457      2.00000
     19       1.0636      2.00000
     20       1.1474      2.00000
     21       1.1783      2.00000
     22       1.2136      2.00000
     23       1.3230      2.00000
     24       1.3775      2.00000
     25       1.4694      2.00000
     26       1.5350      2.00000
     27       1.5654      2.00000
     28       1.6341      2.00000
     29       1.7132      2.00000
     30       1.7800      2.00000
     31       1.8453      2.00000
     32       1.9074      2.00000
     33       1.9409      2.00000
     34       2.0860      2.00000
     35       2.1465      2.00000
     36       2.1533      2.00000
     37       2.2494      2.00000
     38       2.2605      2.00000
     39       2.3328      2.00000
     40       2.3732      2.00000
     41       2.4160      2.00000
     42       2.5094      2.00000
     43       2.5590      2.00000
     44       2.5948      2.00000
     45       2.6147      2.00000
     46       2.6874      2.00000
     47       2.7728      2.00000
     48       2.7922      2.00000
     49       2.8769      2.00000
     50       3.0695      2.00000
     51       3.1292      2.00000
     52       3.1847      2.00000
     53       3.3648      2.00000
     54       3.5325      2.00000
     55       3.6260      2.00000
     56       3.8834      2.00000
     57       4.3675      2.00000
     58       4.7224      2.00000
     59       5.0996      2.00000
     60       5.6347      2.02063
     61       5.6911      2.04280
     62       6.1975     -0.02135
     63       6.6450     -0.00009
     64       7.0052     -0.00000
     65       7.5005     -0.00000
     66       7.8698     -0.00000
     67       8.9887     -0.00000
     68       9.6006     -0.00000
     69       9.8859     -0.00000
     70      10.0843     -0.00000
     71      10.4690     -0.00000
     72      10.7317     -0.00000
     73      11.0881     -0.00000
     74      11.6156      0.00000
     75      12.2455      0.00000
     76      12.9545      0.00000
     77      13.1852      0.00000
     78      13.8978      0.00000
     79      13.9177      0.00000
     80      14.0555      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4519      2.00000
      9      -0.1490      2.00000
     10      -0.0140      2.00000
     11       0.1293      2.00000
     12       0.5348      2.00000
     13       0.5729      2.00000
     14       0.6435      2.00000
     15       0.7545      2.00000
     16       0.8607      2.00000
     17       0.9499      2.00000
     18       0.9961      2.00000
     19       1.0505      2.00000
     20       1.1062      2.00000
     21       1.1668      2.00000
     22       1.2218      2.00000
     23       1.3148      2.00000
     24       1.3911      2.00000
     25       1.4705      2.00000
     26       1.5025      2.00000
     27       1.5477      2.00000
     28       1.5985      2.00000
     29       1.7119      2.00000
     30       1.7534      2.00000
     31       1.7928      2.00000
     32       1.8953      2.00000
     33       1.9575      2.00000
     34       1.9687      2.00000
     35       2.0537      2.00000
     36       2.1801      2.00000
     37       2.1894      2.00000
     38       2.2867      2.00000
     39       2.3294      2.00000
     40       2.3553      2.00000
     41       2.4736      2.00000
     42       2.4947      2.00000
     43       2.5848      2.00000
     44       2.6148      2.00000
     45       2.6766      2.00000
     46       2.7682      2.00000
     47       2.7991      2.00000
     48       2.8122      2.00000
     49       2.8992      2.00000
     50       3.1214      2.00000
     51       3.1766      2.00000
     52       3.2295      2.00000
     53       3.5149      2.00000
     54       3.5714      2.00000
     55       3.6839      2.00000
     56       3.8792      2.00000
     57       4.4431      2.00000
     58       4.5792      2.00000
     59       4.9770      2.00000
     60       5.4250      2.00022
     61       5.7548      2.06858
     62       5.8183      2.05024
     63       6.7129     -0.00001
     64       6.9903     -0.00000
     65       7.2890     -0.00000
     66       7.5122     -0.00000
     67       9.0215     -0.00000
     68       9.4049     -0.00000
     69      10.1093     -0.00000
     70      10.5175     -0.00000
     71      10.8575     -0.00000
     72      11.2110     -0.00000
     73      11.4034     -0.00000
     74      11.6791      0.00000
     75      12.0179      0.00000
     76      12.6526      0.00000
     77      13.4665      0.00000
     78      13.5598      0.00000
     79      14.0924      0.00000
     80      14.1454      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1390      2.00000
      9      -0.5386      2.00000
     10       0.1032      2.00000
     11       0.1255      2.00000
     12       0.5059      2.00000
     13       0.5834      2.00000
     14       0.6506      2.00000
     15       0.6870      2.00000
     16       0.7974      2.00000
     17       0.8204      2.00000
     18       0.8445      2.00000
     19       0.9348      2.00000
     20       1.0935      2.00000
     21       1.1335      2.00000
     22       1.1745      2.00000
     23       1.2026      2.00000
     24       1.3159      2.00000
     25       1.3615      2.00000
     26       1.4021      2.00000
     27       1.4431      2.00000
     28       1.5089      2.00000
     29       1.5673      2.00000
     30       1.6908      2.00000
     31       1.7375      2.00000
     32       1.8760      2.00000
     33       1.9164      2.00000
     34       1.9725      2.00000
     35       2.1171      2.00000
     36       2.1629      2.00000
     37       2.2419      2.00000
     38       2.2850      2.00000
     39       2.3501      2.00000
     40       2.4260      2.00000
     41       2.5164      2.00000
     42       2.5704      2.00000
     43       2.6605      2.00000
     44       2.6936      2.00000
     45       2.7618      2.00000
     46       2.8059      2.00000
     47       2.8510      2.00000
     48       2.9089      2.00000
     49       2.9605      2.00000
     50       3.0775      2.00000
     51       3.1203      2.00000
     52       3.2041      2.00000
     53       3.3446      2.00000
     54       3.5110      2.00000
     55       3.7012      2.00000
     56       4.1211      2.00000
     57       4.6053      2.00000
     58       4.9814      2.00000
     59       5.3588      2.00003
     60       5.6887      2.04169
     61       6.0279      0.91879
     62       6.2166     -0.04839
     63       6.6975     -0.00002
     64       7.1762     -0.00000
     65       7.6191     -0.00000
     66       8.7382     -0.00000
     67       8.9056     -0.00000
     68       9.3539     -0.00000
     69      10.4056     -0.00000
     70      10.6076     -0.00000
     71      11.0135     -0.00000
     72      11.6242      0.00000
     73      12.2206      0.00000
     74      12.4988      0.00000
     75      12.8208      0.00000
     76      13.3559      0.00000
     77      13.5857      0.00000
     78      14.0715      0.00000
     79      14.2316      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.6602      2.00000
      9      -0.8919      2.00000
     10       0.1385      2.00000
     11       0.2596      2.00000
     12       0.3088      2.00000
     13       0.3206      2.00000
     14       0.3978      2.00000
     15       0.6208      2.00000
     16       0.6416      2.00000
     17       0.6645      2.00000
     18       0.7497      2.00000
     19       0.8523      2.00000
     20       0.9332      2.00000
     21       1.0539      2.00000
     22       1.1227      2.00000
     23       1.1775      2.00000
     24       1.2163      2.00000
     25       1.2738      2.00000
     26       1.3763      2.00000
     27       1.3891      2.00000
     28       1.4705      2.00000
     29       1.5910      2.00000
     30       1.6908      2.00000
     31       1.7396      2.00000
     32       1.8442      2.00000
     33       1.8529      2.00000
     34       2.0300      2.00000
     35       2.1552      2.00000
     36       2.1904      2.00000
     37       2.2336      2.00000
     38       2.2627      2.00000
     39       2.3683      2.00000
     40       2.4449      2.00000
     41       2.5147      2.00000
     42       2.6233      2.00000
     43       2.6551      2.00000
     44       2.7763      2.00000
     45       2.8271      2.00000
     46       2.8769      2.00000
     47       2.9519      2.00000
     48       2.9844      2.00000
     49       3.1122      2.00000
     50       3.1852      2.00000
     51       3.2055      2.00000
     52       3.2929      2.00000
     53       3.4753      2.00000
     54       3.7157      2.00000
     55       3.9395      2.00000
     56       3.9630      2.00000
     57       4.1953      2.00000
     58       4.5993      2.00000
     59       5.0550      2.00000
     60       5.6524      2.02663
     61       6.7387     -0.00000
     62       7.3417     -0.00000
     63       7.6609     -0.00000
     64       8.2597     -0.00000
     65       8.4681     -0.00000
     66       8.5673     -0.00000
     67       9.0095     -0.00000
     68       9.2266     -0.00000
     69      11.3320     -0.00000
     70      12.1187      0.00000
     71      12.4184      0.00000
     72      12.6607      0.00000
     73      12.8351      0.00000
     74      13.0994      0.00000
     75      13.2850      0.00000
     76      13.5416      0.00000
     77      13.7062      0.00000
     78      13.7776      0.00000
     79      13.8826      0.00000
     80      14.0617      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6570      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6622      2.00000
      9      -0.7788      2.00000
     10      -0.6046      2.00000
     11       0.0749      2.00000
     12       0.2613      2.00000
     13       0.3750      2.00000
     14       0.3913      2.00000
     15       0.5483      2.00000
     16       0.6284      2.00000
     17       0.7385      2.00000
     18       0.7392      2.00000
     19       0.8320      2.00000
     20       0.8878      2.00000
     21       0.9206      2.00000
     22       1.0457      2.00000
     23       1.0983      2.00000
     24       1.1318      2.00000
     25       1.2319      2.00000
     26       1.3238      2.00000
     27       1.3522      2.00000
     28       1.4876      2.00000
     29       1.6057      2.00000
     30       1.6149      2.00000
     31       1.7799      2.00000
     32       1.9013      2.00000
     33       1.9062      2.00000
     34       2.0924      2.00000
     35       2.1465      2.00000
     36       2.2258      2.00000
     37       2.3484      2.00000
     38       2.4400      2.00000
     39       2.4623      2.00000
     40       2.4696      2.00000
     41       2.5380      2.00000
     42       2.6158      2.00000
     43       2.6803      2.00000
     44       2.6844      2.00000
     45       2.8145      2.00000
     46       2.8699      2.00000
     47       2.9548      2.00000
     48       2.9768      2.00000
     49       3.1487      2.00000
     50       3.2306      2.00000
     51       3.3170      2.00000
     52       3.3370      2.00000
     53       3.4400      2.00000
     54       3.5320      2.00000
     55       3.7162      2.00000
     56       3.7518      2.00000
     57       3.9898      2.00000
     58       4.1987      2.00000
     59       5.8111      2.05700
     60       7.2624     -0.00000
     61       7.4199     -0.00000
     62       7.4613     -0.00000
     63       7.7518     -0.00000
     64       8.2339     -0.00000
     65       8.7229     -0.00000
     66       9.2652     -0.00000
     67       9.8769     -0.00000
     68      10.4845     -0.00000
     69      10.6546     -0.00000
     70      11.2178     -0.00000
     71      11.2600     -0.00000
     72      11.4296     -0.00000
     73      12.4014      0.00000
     74      12.9819      0.00000
     75      13.1407      0.00000
     76      13.1839      0.00000
     77      13.4107      0.00000
     78      13.8856      0.00000
     79      13.9040      0.00000
     80      14.5896      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9137      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3943      2.00000
      9      -0.7720      2.00000
     10      -0.4120      2.00000
     11       0.1151      2.00000
     12       0.1904      2.00000
     13       0.4698      2.00000
     14       0.5359      2.00000
     15       0.6244      2.00000
     16       0.6424      2.00000
     17       0.7430      2.00000
     18       0.7580      2.00000
     19       0.9162      2.00000
     20       0.9549      2.00000
     21       0.9892      2.00000
     22       0.9938      2.00000
     23       1.1007      2.00000
     24       1.1655      2.00000
     25       1.1874      2.00000
     26       1.3312      2.00000
     27       1.3531      2.00000
     28       1.5587      2.00000
     29       1.6143      2.00000
     30       1.7290      2.00000
     31       1.7685      2.00000
     32       1.8253      2.00000
     33       1.9620      2.00000
     34       2.0192      2.00000
     35       2.0499      2.00000
     36       2.1502      2.00000
     37       2.2773      2.00000
     38       2.2795      2.00000
     39       2.3613      2.00000
     40       2.5149      2.00000
     41       2.5541      2.00000
     42       2.6416      2.00000
     43       2.7067      2.00000
     44       2.7406      2.00000
     45       2.7994      2.00000
     46       2.8930      2.00000
     47       2.9211      2.00000
     48       3.0105      2.00000
     49       3.1060      2.00000
     50       3.1560      2.00000
     51       3.2199      2.00000
     52       3.3473      2.00000
     53       3.3699      2.00000
     54       3.5639      2.00000
     55       3.7833      2.00000
     56       3.8411      2.00000
     57       3.9871      2.00000
     58       4.2314      2.00000
     59       6.2103     -0.04082
     60       6.5025     -0.00328
     61       7.3867     -0.00000
     62       7.7760     -0.00000
     63       7.8883     -0.00000
     64       8.3530     -0.00000
     65       8.5515     -0.00000
     66       8.8068     -0.00000
     67       8.8319     -0.00000
     68       9.6410     -0.00000
     69      10.2082     -0.00000
     70      10.6280     -0.00000
     71      10.7667     -0.00000
     72      11.1154     -0.00000
     73      11.9492      0.00000
     74      12.2960      0.00000
     75      12.6491      0.00000
     76      13.1655      0.00000
     77      13.6127      0.00000
     78      13.9324      0.00000
     79      14.2726      0.00000
     80      14.6639      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9189      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.9073      2.00000
      9      -0.3845      2.00000
     10      -0.0417      2.00000
     11       0.0614      2.00000
     12       0.4415      2.00000
     13       0.4956      2.00000
     14       0.5958      2.00000
     15       0.6939      2.00000
     16       0.7523      2.00000
     17       0.7582      2.00000
     18       0.8258      2.00000
     19       0.8873      2.00000
     20       1.0006      2.00000
     21       1.0357      2.00000
     22       1.1571      2.00000
     23       1.2344      2.00000
     24       1.2882      2.00000
     25       1.3754      2.00000
     26       1.4167      2.00000
     27       1.4922      2.00000
     28       1.6117      2.00000
     29       1.6557      2.00000
     30       1.7149      2.00000
     31       1.7883      2.00000
     32       1.8391      2.00000
     33       1.9256      2.00000
     34       1.9793      2.00000
     35       2.0289      2.00000
     36       2.0743      2.00000
     37       2.2181      2.00000
     38       2.2531      2.00000
     39       2.2881      2.00000
     40       2.4045      2.00000
     41       2.5537      2.00000
     42       2.6239      2.00000
     43       2.6342      2.00000
     44       2.7072      2.00000
     45       2.7388      2.00000
     46       2.8320      2.00000
     47       2.8652      2.00000
     48       2.9039      2.00000
     49       2.9336      2.00000
     50       3.0337      2.00000
     51       3.1337      2.00000
     52       3.3046      2.00000
     53       3.3394      2.00000
     54       3.4872      2.00000
     55       3.5703      2.00000
     56       3.7492      2.00000
     57       4.4155      2.00000
     58       5.2190      2.00000
     59       5.2882      2.00000
     60       5.9528      1.52319
     61       7.0527     -0.00000
     62       7.1828     -0.00000
     63       7.3382     -0.00000
     64       7.4441     -0.00000
     65       8.1625     -0.00000
     66       8.4027     -0.00000
     67       8.6148     -0.00000
     68       9.0548     -0.00000
     69       9.3295     -0.00000
     70       9.8276     -0.00000
     71      10.7621     -0.00000
     72      10.9676     -0.00000
     73      11.2739     -0.00000
     74      11.5975      0.00000
     75      12.5161      0.00000
     76      13.0863      0.00000
     77      13.4153      0.00000
     78      13.6651      0.00000
     79      13.9108      0.00000
     80      14.1213      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3909      2.00000
      9      -0.0769      2.00000
     10       0.1011      2.00000
     11       0.1576      2.00000
     12       0.4553      2.00000
     13       0.4921      2.00000
     14       0.5504      2.00000
     15       0.6709      2.00000
     16       0.7822      2.00000
     17       0.9091      2.00000
     18       0.9404      2.00000
     19       1.1128      2.00000
     20       1.1671      2.00000
     21       1.2133      2.00000
     22       1.2370      2.00000
     23       1.3287      2.00000
     24       1.4106      2.00000
     25       1.4411      2.00000
     26       1.4853      2.00000
     27       1.5615      2.00000
     28       1.6193      2.00000
     29       1.6606      2.00000
     30       1.7154      2.00000
     31       1.8293      2.00000
     32       1.9120      2.00000
     33       1.9605      2.00000
     34       2.0335      2.00000
     35       2.1058      2.00000
     36       2.1193      2.00000
     37       2.2012      2.00000
     38       2.2973      2.00000
     39       2.3114      2.00000
     40       2.3553      2.00000
     41       2.4673      2.00000
     42       2.5293      2.00000
     43       2.5535      2.00000
     44       2.6251      2.00000
     45       2.6954      2.00000
     46       2.7370      2.00000
     47       2.8148      2.00000
     48       2.8352      2.00000
     49       2.9505      2.00000
     50       3.0703      2.00000
     51       3.1802      2.00000
     52       3.2832      2.00000
     53       3.3390      2.00000
     54       3.4679      2.00000
     55       3.5879      2.00000
     56       3.7879      2.00000
     57       4.0884      2.00000
     58       4.2971      2.00000
     59       5.4680      2.00070
     60       5.8586      1.97942
     61       6.0220      0.96893
     62       6.3360     -0.04719
     63       6.7265     -0.00001
     64       7.1211     -0.00000
     65       7.6030     -0.00000
     66       8.0658     -0.00000
     67       8.3326     -0.00000
     68       8.9228     -0.00000
     69       9.4375     -0.00000
     70      10.2319     -0.00000
     71      10.4152     -0.00000
     72      10.5632     -0.00000
     73      11.3134     -0.00000
     74      11.8245      0.00000
     75      12.1591      0.00000
     76      12.9351      0.00000
     77      13.0136      0.00000
     78      13.6815      0.00000
     79      13.9988      0.00000
     80      14.6415      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6564      2.00000
      5     -39.6564      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4472      2.00000
      9      -0.1496      2.00000
     10       0.0474      2.00000
     11       0.1321      2.00000
     12       0.4964      2.00000
     13       0.5309      2.00000
     14       0.6303      2.00000
     15       0.7137      2.00000
     16       0.8955      2.00000
     17       0.9203      2.00000
     18       1.0338      2.00000
     19       1.0751      2.00000
     20       1.1361      2.00000
     21       1.1791      2.00000
     22       1.2517      2.00000
     23       1.2965      2.00000
     24       1.3909      2.00000
     25       1.4113      2.00000
     26       1.4586      2.00000
     27       1.5070      2.00000
     28       1.6579      2.00000
     29       1.6945      2.00000
     30       1.7403      2.00000
     31       1.7938      2.00000
     32       1.8727      2.00000
     33       1.9134      2.00000
     34       2.0069      2.00000
     35       2.0783      2.00000
     36       2.1855      2.00000
     37       2.2103      2.00000
     38       2.2840      2.00000
     39       2.3493      2.00000
     40       2.3700      2.00000
     41       2.4507      2.00000
     42       2.5029      2.00000
     43       2.5511      2.00000
     44       2.6533      2.00000
     45       2.6882      2.00000
     46       2.7402      2.00000
     47       2.8126      2.00000
     48       2.8819      2.00000
     49       2.9040      2.00000
     50       3.1091      2.00000
     51       3.1642      2.00000
     52       3.2504      2.00000
     53       3.4746      2.00000
     54       3.5633      2.00000
     55       3.6014      2.00000
     56       3.8964      2.00000
     57       4.3411      2.00000
     58       4.8576      2.00000
     59       5.0028      2.00000
     60       5.2062      2.00000
     61       5.6133      2.01473
     62       5.8102      2.05767
     63       6.7190     -0.00001
     64       7.1803     -0.00000
     65       7.6937     -0.00000
     66       7.8748     -0.00000
     67       8.7025     -0.00000
     68       9.4964     -0.00000
     69       9.9537     -0.00000
     70      10.1269     -0.00000
     71      10.4699     -0.00000
     72      10.5864     -0.00000
     73      11.1449     -0.00000
     74      11.8167      0.00000
     75      12.2315      0.00000
     76      12.7397      0.00000
     77      13.5884      0.00000
     78      14.0610      0.00000
     79      14.3176      0.00000
     80      14.4629      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0804      2.00000
      9      -0.3701      2.00000
     10      -0.1179      2.00000
     11       0.2709      2.00000
     12       0.4370      2.00000
     13       0.5101      2.00000
     14       0.5423      2.00000
     15       0.6797      2.00000
     16       0.7844      2.00000
     17       0.8403      2.00000
     18       0.9177      2.00000
     19       0.9478      2.00000
     20       1.0511      2.00000
     21       1.0814      2.00000
     22       1.1695      2.00000
     23       1.2174      2.00000
     24       1.2665      2.00000
     25       1.3220      2.00000
     26       1.4122      2.00000
     27       1.4532      2.00000
     28       1.5503      2.00000
     29       1.6095      2.00000
     30       1.7710      2.00000
     31       1.8193      2.00000
     32       1.8437      2.00000
     33       1.9649      2.00000
     34       1.9947      2.00000
     35       2.0542      2.00000
     36       2.1050      2.00000
     37       2.1325      2.00000
     38       2.2065      2.00000
     39       2.3296      2.00000
     40       2.4292      2.00000
     41       2.4707      2.00000
     42       2.6042      2.00000
     43       2.6502      2.00000
     44       2.6830      2.00000
     45       2.7866      2.00000
     46       2.8164      2.00000
     47       2.8708      2.00000
     48       2.9221      2.00000
     49       2.9751      2.00000
     50       3.0820      2.00000
     51       3.1289      2.00000
     52       3.2357      2.00000
     53       3.3195      2.00000
     54       3.4493      2.00000
     55       3.6247      2.00000
     56       4.0759      2.00000
     57       4.2775      2.00000
     58       5.1809      2.00000
     59       5.7476      2.06666
     60       5.9254      1.69994
     61       6.1145      0.28143
     62       6.5362     -0.00154
     63       6.7782     -0.00000
     64       7.2674     -0.00000
     65       7.6550     -0.00000
     66       8.3368     -0.00000
     67       9.3836     -0.00000
     68       9.5324     -0.00000
     69       9.9829     -0.00000
     70      10.1722     -0.00000
     71      11.3432     -0.00000
     72      11.4972      0.00000
     73      11.7689      0.00000
     74      11.9537      0.00000
     75      12.2808      0.00000
     76      12.7683      0.00000
     77      13.3525      0.00000
     78      13.6845      0.00000
     79      13.8262      0.00000
     80      14.2047      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5568      2.00000
      9      -0.5549      2.00000
     10      -0.4679      2.00000
     11       0.2086      2.00000
     12       0.2340      2.00000
     13       0.4712      2.00000
     14       0.5224      2.00000
     15       0.5932      2.00000
     16       0.6302      2.00000
     17       0.6719      2.00000
     18       0.7942      2.00000
     19       0.9006      2.00000
     20       0.9459      2.00000
     21       0.9871      2.00000
     22       1.0110      2.00000
     23       1.1177      2.00000
     24       1.1606      2.00000
     25       1.2163      2.00000
     26       1.3850      2.00000
     27       1.4324      2.00000
     28       1.4860      2.00000
     29       1.5969      2.00000
     30       1.6399      2.00000
     31       1.7263      2.00000
     32       1.8698      2.00000
     33       1.8883      2.00000
     34       2.0144      2.00000
     35       2.1044      2.00000
     36       2.2055      2.00000
     37       2.2688      2.00000
     38       2.3442      2.00000
     39       2.3695      2.00000
     40       2.4391      2.00000
     41       2.5866      2.00000
     42       2.6745      2.00000
     43       2.7038      2.00000
     44       2.7358      2.00000
     45       2.8394      2.00000
     46       2.8642      2.00000
     47       2.8921      2.00000
     48       3.0554      2.00000
     49       3.0898      2.00000
     50       3.1674      2.00000
     51       3.2264      2.00000
     52       3.2325      2.00000
     53       3.5302      2.00000
     54       3.6165      2.00000
     55       3.6521      2.00000
     56       3.8493      2.00000
     57       3.9756      2.00000
     58       4.4819      2.00000
     59       5.6743      2.03536
     60       6.3635     -0.03487
     61       6.7038     -0.00001
     62       7.5044     -0.00000
     63       7.9725     -0.00000
     64       8.6828     -0.00000
     65       8.8786     -0.00000
     66       9.2096     -0.00000
     67       9.3711     -0.00000
     68       9.4697     -0.00000
     69       9.7898     -0.00000
     70      10.5194     -0.00000
     71      11.1816     -0.00000
     72      11.5417      0.00000
     73      12.0601      0.00000
     74      12.2454      0.00000
     75      13.0161      0.00000
     76      13.2485      0.00000
     77      13.2912      0.00000
     78      13.8552      0.00000
     79      14.5912      0.00000
     80      14.6730      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6571      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6131      2.00000
      9      -0.8289      2.00000
     10      -0.5726      2.00000
     11       0.0727      2.00000
     12       0.1494      2.00000
     13       0.3588      2.00000
     14       0.3926      2.00000
     15       0.5473      2.00000
     16       0.6401      2.00000
     17       0.7631      2.00000
     18       0.7876      2.00000
     19       0.8679      2.00000
     20       0.8734      2.00000
     21       0.9183      2.00000
     22       1.0152      2.00000
     23       1.0263      2.00000
     24       1.0740      2.00000
     25       1.2518      2.00000
     26       1.3090      2.00000
     27       1.3772      2.00000
     28       1.4778      2.00000
     29       1.6252      2.00000
     30       1.6704      2.00000
     31       1.7602      2.00000
     32       1.8366      2.00000
     33       1.9558      2.00000
     34       2.0130      2.00000
     35       2.1704      2.00000
     36       2.2027      2.00000
     37       2.3298      2.00000
     38       2.4291      2.00000
     39       2.4629      2.00000
     40       2.4705      2.00000
     41       2.5119      2.00000
     42       2.6278      2.00000
     43       2.6372      2.00000
     44       2.6581      2.00000
     45       2.8281      2.00000
     46       2.8378      2.00000
     47       2.9487      2.00000
     48       2.9507      2.00000
     49       2.9814      2.00000
     50       3.1930      2.00000
     51       3.2542      2.00000
     52       3.4559      2.00000
     53       3.5499      2.00000
     54       3.6547      2.00000
     55       3.9669      2.00000
     56       4.0635      2.00000
     57       4.2114      2.00000
     58       4.5982      2.00000
     59       5.8669      1.95637
     60       6.1202      0.24948
     61       6.6482     -0.00008
     62       7.3648     -0.00000
     63       8.0011     -0.00000
     64       8.2505     -0.00000
     65       8.6492     -0.00000
     66       9.1065     -0.00000
     67       9.1653     -0.00000
     68      10.9078     -0.00000
     69      11.4378     -0.00000
     70      11.6299      0.00000
     71      11.9447      0.00000
     72      12.3422      0.00000
     73      12.6251      0.00000
     74      13.1733      0.00000
     75      13.2064      0.00000
     76      13.3600      0.00000
     77      13.3974      0.00000
     78      13.8277      0.00000
     79      13.8489      0.00000
     80      14.0867      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6570      2.00000
      5     -39.6563      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3574      2.00000
      9      -0.6666      2.00000
     10      -0.5421      2.00000
     11       0.0541      2.00000
     12       0.1865      2.00000
     13       0.4657      2.00000
     14       0.5563      2.00000
     15       0.6219      2.00000
     16       0.6351      2.00000
     17       0.7474      2.00000
     18       0.7891      2.00000
     19       0.9114      2.00000
     20       0.9222      2.00000
     21       0.9486      2.00000
     22       0.9808      2.00000
     23       1.0959      2.00000
     24       1.1238      2.00000
     25       1.1779      2.00000
     26       1.3693      2.00000
     27       1.4310      2.00000
     28       1.5984      2.00000
     29       1.6143      2.00000
     30       1.6787      2.00000
     31       1.7211      2.00000
     32       1.7715      2.00000
     33       1.9361      2.00000
     34       2.0196      2.00000
     35       2.0782      2.00000
     36       2.1901      2.00000
     37       2.2124      2.00000
     38       2.2817      2.00000
     39       2.4566      2.00000
     40       2.4797      2.00000
     41       2.5382      2.00000
     42       2.6406      2.00000
     43       2.6832      2.00000
     44       2.7272      2.00000
     45       2.7497      2.00000
     46       2.8449      2.00000
     47       2.8861      2.00000
     48       2.9852      2.00000
     49       3.0650      2.00000
     50       3.1404      2.00000
     51       3.1651      2.00000
     52       3.3165      2.00000
     53       3.4392      2.00000
     54       3.5205      2.00000
     55       3.7651      2.00000
     56       3.8952      2.00000
     57       5.0205      2.00000
     58       5.1282      2.00000
     59       5.6101      2.01396
     60       6.0404      0.81439
     61       6.8552     -0.00000
     62       7.3542     -0.00000
     63       7.5065     -0.00000
     64       7.6995     -0.00000
     65       8.1148     -0.00000
     66       8.2621     -0.00000
     67       9.9438     -0.00000
     68      10.3750     -0.00000
     69      10.5442     -0.00000
     70      10.9985     -0.00000
     71      11.1583     -0.00000
     72      11.6582      0.00000
     73      12.3301      0.00000
     74      12.4617      0.00000
     75      12.9853      0.00000
     76      13.1698      0.00000
     77      13.6565      0.00000
     78      13.7950      0.00000
     79      14.0929      0.00000
     80      14.3622      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6567      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.8992      2.00000
      9      -0.3674      2.00000
     10      -0.0514      2.00000
     11       0.0284      2.00000
     12       0.4692      2.00000
     13       0.4961      2.00000
     14       0.5795      2.00000
     15       0.6973      2.00000
     16       0.7344      2.00000
     17       0.7714      2.00000
     18       0.8286      2.00000
     19       0.8794      2.00000
     20       0.9974      2.00000
     21       1.0247      2.00000
     22       1.1356      2.00000
     23       1.2398      2.00000
     24       1.3370      2.00000
     25       1.3858      2.00000
     26       1.4593      2.00000
     27       1.5142      2.00000
     28       1.5562      2.00000
     29       1.5929      2.00000
     30       1.7508      2.00000
     31       1.8018      2.00000
     32       1.8714      2.00000
     33       1.9125      2.00000
     34       1.9671      2.00000
     35       2.0187      2.00000
     36       2.1304      2.00000
     37       2.1884      2.00000
     38       2.2286      2.00000
     39       2.2563      2.00000
     40       2.3266      2.00000
     41       2.5572      2.00000
     42       2.6112      2.00000
     43       2.6558      2.00000
     44       2.7231      2.00000
     45       2.7330      2.00000
     46       2.8477      2.00000
     47       2.8717      2.00000
     48       2.9125      2.00000
     49       2.9640      2.00000
     50       3.0472      2.00000
     51       3.1361      2.00000
     52       3.2748      2.00000
     53       3.3502      2.00000
     54       3.4145      2.00000
     55       3.5023      2.00000
     56       3.7138      2.00000
     57       4.6988      2.00000
     58       5.3860      2.00007
     59       5.6326      2.02000
     60       5.8369      2.02522
     61       6.6943     -0.00002
     62       6.9403     -0.00000
     63       7.1032     -0.00000
     64       7.2396     -0.00000
     65       8.4962     -0.00000
     66       8.5803     -0.00000
     67       8.7003     -0.00000
     68       8.9023     -0.00000
     69       9.2471     -0.00000
     70       9.6716     -0.00000
     71      10.8913     -0.00000
     72      11.0813     -0.00000
     73      11.2636     -0.00000
     74      11.7899      0.00000
     75      12.7522      0.00000
     76      13.0069      0.00000
     77      13.5250      0.00000
     78      13.7529      0.00000
     79      13.9996      0.00000
     80      14.3903      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3678      2.00000
      9      -0.1229      2.00000
     10       0.0993      2.00000
     11       0.1729      2.00000
     12       0.4627      2.00000
     13       0.5298      2.00000
     14       0.5891      2.00000
     15       0.6355      2.00000
     16       0.7445      2.00000
     17       0.9013      2.00000
     18       0.9486      2.00000
     19       1.0644      2.00000
     20       1.1516      2.00000
     21       1.1927      2.00000
     22       1.2399      2.00000
     23       1.3172      2.00000
     24       1.3945      2.00000
     25       1.4833      2.00000
     26       1.5124      2.00000
     27       1.5410      2.00000
     28       1.6225      2.00000
     29       1.7173      2.00000
     30       1.7382      2.00000
     31       1.8368      2.00000
     32       1.9070      2.00000
     33       1.9711      2.00000
     34       2.0413      2.00000
     35       2.1095      2.00000
     36       2.1744      2.00000
     37       2.2556      2.00000
     38       2.3060      2.00000
     39       2.3184      2.00000
     40       2.3807      2.00000
     41       2.4297      2.00000
     42       2.5168      2.00000
     43       2.5617      2.00000
     44       2.5827      2.00000
     45       2.6358      2.00000
     46       2.7026      2.00000
     47       2.7581      2.00000
     48       2.8070      2.00000
     49       2.9567      2.00000
     50       3.0449      2.00000
     51       3.1401      2.00000
     52       3.1812      2.00000
     53       3.3315      2.00000
     54       3.5343      2.00000
     55       3.5988      2.00000
     56       3.9558      2.00000
     57       4.1923      2.00000
     58       4.4142      2.00000
     59       5.2766      2.00000
     60       5.8334      2.03086
     61       5.9553      1.50486
     62       6.2588     -0.07076
     63       6.4666     -0.00679
     64       6.9954     -0.00000
     65       7.8613     -0.00000
     66       8.0293     -0.00000
     67       8.8253     -0.00000
     68       9.1436     -0.00000
     69       9.7239     -0.00000
     70       9.8574     -0.00000
     71      10.3702     -0.00000
     72      10.5758     -0.00000
     73      10.9590     -0.00000
     74      11.8506      0.00000
     75      12.4515      0.00000
     76      12.6181      0.00000
     77      13.3314      0.00000
     78      13.7157      0.00000
     79      14.3574      0.00000
     80      14.4487      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4397      2.00000
      9      -0.1385      2.00000
     10      -0.0182      2.00000
     11       0.1302      2.00000
     12       0.5455      2.00000
     13       0.5898      2.00000
     14       0.6447      2.00000
     15       0.7780      2.00000
     16       0.8033      2.00000
     17       0.9226      2.00000
     18       0.9653      2.00000
     19       1.0478      2.00000
     20       1.1099      2.00000
     21       1.1507      2.00000
     22       1.2399      2.00000
     23       1.3381      2.00000
     24       1.3863      2.00000
     25       1.4082      2.00000
     26       1.4885      2.00000
     27       1.5915      2.00000
     28       1.6684      2.00000
     29       1.7204      2.00000
     30       1.7665      2.00000
     31       1.8211      2.00000
     32       1.8856      2.00000
     33       1.8985      2.00000
     34       2.0036      2.00000
     35       2.1232      2.00000
     36       2.1801      2.00000
     37       2.2195      2.00000
     38       2.2436      2.00000
     39       2.3052      2.00000
     40       2.3956      2.00000
     41       2.4538      2.00000
     42       2.4900      2.00000
     43       2.5537      2.00000
     44       2.6196      2.00000
     45       2.6437      2.00000
     46       2.7283      2.00000
     47       2.7718      2.00000
     48       2.8225      2.00000
     49       2.8768      2.00000
     50       3.1344      2.00000
     51       3.1438      2.00000
     52       3.3439      2.00000
     53       3.4710      2.00000
     54       3.5758      2.00000
     55       3.6078      2.00000
     56       3.7767      2.00000
     57       4.3627      2.00000
     58       4.5598      2.00000
     59       5.1236      2.00000
     60       5.6206      2.01658
     61       5.7590      2.06948
     62       6.4028     -0.02039
     63       6.4968     -0.00370
     64       6.8331     -0.00000
     65       6.9973     -0.00000
     66       7.3758     -0.00000
     67       9.1032     -0.00000
     68       9.3482     -0.00000
     69      10.2463     -0.00000
     70      10.5532     -0.00000
     71      10.9134     -0.00000
     72      11.4112     -0.00000
     73      11.5649      0.00000
     74      11.8315      0.00000
     75      12.1767      0.00000
     76      12.6580      0.00000
     77      12.9299      0.00000
     78      13.0995      0.00000
     79      13.9013      0.00000
     80      14.2291      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1085      2.00000
      9      -0.3095      2.00000
     10      -0.1711      2.00000
     11       0.2337      2.00000
     12       0.4809      2.00000
     13       0.5455      2.00000
     14       0.5754      2.00000
     15       0.6539      2.00000
     16       0.7712      2.00000
     17       0.8562      2.00000
     18       0.9282      2.00000
     19       1.0183      2.00000
     20       1.0899      2.00000
     21       1.1200      2.00000
     22       1.1667      2.00000
     23       1.1906      2.00000
     24       1.2232      2.00000
     25       1.2527      2.00000
     26       1.3545      2.00000
     27       1.4831      2.00000
     28       1.5507      2.00000
     29       1.6386      2.00000
     30       1.6854      2.00000
     31       1.7931      2.00000
     32       1.8390      2.00000
     33       1.9685      2.00000
     34       2.0381      2.00000
     35       2.1006      2.00000
     36       2.1629      2.00000
     37       2.2190      2.00000
     38       2.2434      2.00000
     39       2.3020      2.00000
     40       2.3374      2.00000
     41       2.5262      2.00000
     42       2.6193      2.00000
     43       2.6435      2.00000
     44       2.7204      2.00000
     45       2.7346      2.00000
     46       2.7792      2.00000
     47       2.8177      2.00000
     48       2.9383      2.00000
     49       2.9969      2.00000
     50       3.0638      2.00000
     51       3.1380      2.00000
     52       3.2034      2.00000
     53       3.4261      2.00000
     54       3.4647      2.00000
     55       3.5677      2.00000
     56       3.7179      2.00000
     57       4.5306      2.00000
     58       4.7879      2.00000
     59       5.4086      2.00014
     60       5.9572      1.49175
     61       6.4748     -0.00579
     62       6.8115     -0.00000
     63       7.0885     -0.00000
     64       7.3895     -0.00000
     65       8.0530     -0.00000
     66       8.6658     -0.00000
     67       8.7605     -0.00000
     68       9.3326     -0.00000
     69       9.8344     -0.00000
     70       9.9187     -0.00000
     71      10.6609     -0.00000
     72      11.1710     -0.00000
     73      11.8761      0.00000
     74      12.1889      0.00000
     75      12.6567      0.00000
     76      13.2236      0.00000
     77      13.9589      0.00000
     78      14.0337      0.00000
     79      14.3647      0.00000
     80      14.4072      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5488      2.00000
      9      -0.6267      2.00000
     10      -0.3837      2.00000
     11       0.1887      2.00000
     12       0.2316      2.00000
     13       0.4355      2.00000
     14       0.5225      2.00000
     15       0.5847      2.00000
     16       0.6297      2.00000
     17       0.6914      2.00000
     18       0.8056      2.00000
     19       0.9141      2.00000
     20       0.9426      2.00000
     21       0.9819      2.00000
     22       1.0451      2.00000
     23       1.1306      2.00000
     24       1.1580      2.00000
     25       1.2486      2.00000
     26       1.2699      2.00000
     27       1.3829      2.00000
     28       1.5912      2.00000
     29       1.6431      2.00000
     30       1.7055      2.00000
     31       1.7581      2.00000
     32       1.8201      2.00000
     33       1.8693      2.00000
     34       1.9916      2.00000
     35       2.0340      2.00000
     36       2.1213      2.00000
     37       2.3087      2.00000
     38       2.3449      2.00000
     39       2.4437      2.00000
     40       2.5147      2.00000
     41       2.5268      2.00000
     42       2.6068      2.00000
     43       2.6728      2.00000
     44       2.6982      2.00000
     45       2.7927      2.00000
     46       2.8437      2.00000
     47       2.9026      2.00000
     48       3.0494      2.00000
     49       3.0923      2.00000
     50       3.2091      2.00000
     51       3.2293      2.00000
     52       3.2974      2.00000
     53       3.4013      2.00000
     54       3.5883      2.00000
     55       3.7969      2.00000
     56       3.8148      2.00000
     57       3.9759      2.00000
     58       4.7524      2.00000
     59       5.6563      2.02811
     60       6.5580     -0.00091
     61       6.8475     -0.00000
     62       7.4464     -0.00000
     63       7.8289     -0.00000
     64       7.8801     -0.00000
     65       8.4188     -0.00000
     66       9.0472     -0.00000
     67       9.2223     -0.00000
     68       9.9841     -0.00000
     69      10.4699     -0.00000
     70      10.7217     -0.00000
     71      11.1373     -0.00000
     72      11.4766     -0.00000
     73      12.1361      0.00000
     74      12.6577      0.00000
     75      12.9962      0.00000
     76      13.3541      0.00000
     77      13.4985      0.00000
     78      13.9003      0.00000
     79      14.3180      0.00000
     80      14.5407      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6571      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6073      2.00000
      9      -0.7823      2.00000
     10      -0.6595      2.00000
     11       0.0669      2.00000
     12       0.1913      2.00000
     13       0.3549      2.00000
     14       0.3903      2.00000
     15       0.5649      2.00000
     16       0.6130      2.00000
     17       0.7263      2.00000
     18       0.7843      2.00000
     19       0.8455      2.00000
     20       0.9055      2.00000
     21       0.9246      2.00000
     22       1.0646      2.00000
     23       1.1105      2.00000
     24       1.1492      2.00000
     25       1.2451      2.00000
     26       1.2598      2.00000
     27       1.2701      2.00000
     28       1.4690      2.00000
     29       1.6039      2.00000
     30       1.6209      2.00000
     31       1.7494      2.00000
     32       1.7889      2.00000
     33       1.9121      2.00000
     34       2.1271      2.00000
     35       2.1563      2.00000
     36       2.3457      2.00000
     37       2.3544      2.00000
     38       2.3929      2.00000
     39       2.4402      2.00000
     40       2.4687      2.00000
     41       2.5364      2.00000
     42       2.6315      2.00000
     43       2.6669      2.00000
     44       2.7295      2.00000
     45       2.7992      2.00000
     46       2.8457      2.00000
     47       2.8968      2.00000
     48       2.9400      2.00000
     49       3.0391      2.00000
     50       3.1789      2.00000
     51       3.2276      2.00000
     52       3.3943      2.00000
     53       3.5902      2.00000
     54       3.6429      2.00000
     55       3.9589      2.00000
     56       4.0582      2.00000
     57       4.2302      2.00000
     58       4.4580      2.00000
     59       5.6784      2.03712
     60       6.2365     -0.06436
     61       6.6926     -0.00002
     62       7.5133     -0.00000
     63       7.8843     -0.00000
     64       8.1393     -0.00000
     65       8.8060     -0.00000
     66       9.3763     -0.00000
     67       9.5844     -0.00000
     68      10.7350     -0.00000
     69      10.8938     -0.00000
     70      11.4726     -0.00000
     71      11.9807      0.00000
     72      12.0754      0.00000
     73      12.5119      0.00000
     74      12.8922      0.00000
     75      13.0067      0.00000
     76      13.2865      0.00000
     77      13.4381      0.00000
     78      13.8966      0.00000
     79      14.0538      0.00000
     80      14.3367      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3895      2.00000
      9      -0.7312      2.00000
     10      -0.4732      2.00000
     11       0.1192      2.00000
     12       0.1866      2.00000
     13       0.4778      2.00000
     14       0.5477      2.00000
     15       0.6299      2.00000
     16       0.6358      2.00000
     17       0.7471      2.00000
     18       0.7679      2.00000
     19       0.9286      2.00000
     20       0.9335      2.00000
     21       0.9512      2.00000
     22       0.9800      2.00000
     23       1.1184      2.00000
     24       1.1605      2.00000
     25       1.1823      2.00000
     26       1.3683      2.00000
     27       1.3809      2.00000
     28       1.5166      2.00000
     29       1.6166      2.00000
     30       1.6317      2.00000
     31       1.7934      2.00000
     32       1.8439      2.00000
     33       1.9622      2.00000
     34       1.9893      2.00000
     35       2.1661      2.00000
     36       2.2012      2.00000
     37       2.2216      2.00000
     38       2.2580      2.00000
     39       2.3087      2.00000
     40       2.5361      2.00000
     41       2.5766      2.00000
     42       2.6220      2.00000
     43       2.6953      2.00000
     44       2.7422      2.00000
     45       2.8151      2.00000
     46       2.8968      2.00000
     47       2.9569      2.00000
     48       3.0030      2.00000
     49       3.1136      2.00000
     50       3.1565      2.00000
     51       3.1978      2.00000
     52       3.3105      2.00000
     53       3.4000      2.00000
     54       3.5587      2.00000
     55       3.7452      2.00000
     56       3.8998      2.00000
     57       4.0345      2.00000
     58       4.2877      2.00000
     59       6.2385     -0.06534
     60       6.6591     -0.00006
     61       7.1135     -0.00000
     62       7.3093     -0.00000
     63       8.0032     -0.00000
     64       8.2256     -0.00000
     65       8.3873     -0.00000
     66       8.7903     -0.00000
     67       9.5563     -0.00000
     68       9.8211     -0.00000
     69      10.1340     -0.00000
     70      10.3433     -0.00000
     71      10.8605     -0.00000
     72      11.3387     -0.00000
     73      12.0521      0.00000
     74      12.2044      0.00000
     75      12.6271      0.00000
     76      13.1370      0.00000
     77      13.5512      0.00000
     78      13.7484      0.00000
     79      14.3159      0.00000
     80      14.6219      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.9136      2.00000
      9      -0.4530      2.00000
     10       0.0442      2.00000
     11       0.0938      2.00000
     12       0.3948      2.00000
     13       0.4974      2.00000
     14       0.6468      2.00000
     15       0.6694      2.00000
     16       0.7364      2.00000
     17       0.7792      2.00000
     18       0.8180      2.00000
     19       0.9049      2.00000
     20       1.0197      2.00000
     21       1.0439      2.00000
     22       1.1247      2.00000
     23       1.2299      2.00000
     24       1.2720      2.00000
     25       1.2936      2.00000
     26       1.3790      2.00000
     27       1.4634      2.00000
     28       1.6715      2.00000
     29       1.6975      2.00000
     30       1.7860      2.00000
     31       1.8244      2.00000
     32       1.8541      2.00000
     33       1.9113      2.00000
     34       1.9722      2.00000
     35       1.9981      2.00000
     36       2.0283      2.00000
     37       2.2389      2.00000
     38       2.2939      2.00000
     39       2.3509      2.00000
     40       2.4825      2.00000
     41       2.5189      2.00000
     42       2.5684      2.00000
     43       2.6879      2.00000
     44       2.7083      2.00000
     45       2.7412      2.00000
     46       2.7624      2.00000
     47       2.8550      2.00000
     48       2.8793      2.00000
     49       2.9123      2.00000
     50       3.0730      2.00000
     51       3.1656      2.00000
     52       3.3311      2.00000
     53       3.3462      2.00000
     54       3.5843      2.00000
     55       3.7516      2.00000
     56       3.8223      2.00000
     57       4.0247      2.00000
     58       4.6294      2.00000
     59       4.8198      2.00000
     60       6.5713     -0.00065
     61       7.0551     -0.00000
     62       7.5079     -0.00000
     63       7.6231     -0.00000
     64       7.8425     -0.00000
     65       8.0282     -0.00000
     66       8.6816     -0.00000
     67       8.9062     -0.00000
     68       9.1874     -0.00000
     69       9.5785     -0.00000
     70       9.6026     -0.00000
     71       9.7995     -0.00000
     72      10.0842     -0.00000
     73      11.4879      0.00000
     74      11.8003      0.00000
     75      11.8818      0.00000
     76      12.9961      0.00000
     77      13.3768      0.00000
     78      13.9793      0.00000
     79      14.2257      0.00000
     80      14.5759      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3640      2.00000
      9      -0.1223      2.00000
     10       0.1031      2.00000
     11       0.1528      2.00000
     12       0.4174      2.00000
     13       0.5349      2.00000
     14       0.6100      2.00000
     15       0.6898      2.00000
     16       0.7675      2.00000
     17       0.8925      2.00000
     18       0.9356      2.00000
     19       1.0664      2.00000
     20       1.1185      2.00000
     21       1.1820      2.00000
     22       1.2114      2.00000
     23       1.3430      2.00000
     24       1.3915      2.00000
     25       1.4461      2.00000
     26       1.5072      2.00000
     27       1.6567      2.00000
     28       1.6991      2.00000
     29       1.7183      2.00000
     30       1.7372      2.00000
     31       1.8332      2.00000
     32       1.8728      2.00000
     33       1.9334      2.00000
     34       2.0080      2.00000
     35       2.1216      2.00000
     36       2.1611      2.00000
     37       2.2521      2.00000
     38       2.2777      2.00000
     39       2.3467      2.00000
     40       2.3939      2.00000
     41       2.4353      2.00000
     42       2.5262      2.00000
     43       2.5689      2.00000
     44       2.5944      2.00000
     45       2.6421      2.00000
     46       2.6774      2.00000
     47       2.7290      2.00000
     48       2.7912      2.00000
     49       2.8758      2.00000
     50       3.0743      2.00000
     51       3.1251      2.00000
     52       3.1784      2.00000
     53       3.2235      2.00000
     54       3.4886      2.00000
     55       3.5979      2.00000
     56       3.9572      2.00000
     57       4.6228      2.00000
     58       4.7016      2.00000
     59       5.1193      2.00000
     60       5.6472      2.02477
     61       5.7774      2.07079
     62       6.0844      0.47354
     63       6.3816     -0.02763
     64       6.9294     -0.00000
     65       7.6574     -0.00000
     66       8.4526     -0.00000
     67       9.0010     -0.00000
     68       9.3544     -0.00000
     69       9.4769     -0.00000
     70       9.8149     -0.00000
     71      10.6668     -0.00000
     72      11.0188     -0.00000
     73      11.3725     -0.00000
     74      11.7081      0.00000
     75      12.0763      0.00000
     76      12.4123      0.00000
     77      12.7611      0.00000
     78      13.6206      0.00000
     79      13.9589      0.00000
     80      14.1642      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4283      2.00000
      9      -0.1869      2.00000
     10       0.0371      2.00000
     11       0.1377      2.00000
     12       0.5264      2.00000
     13       0.5867      2.00000
     14       0.6771      2.00000
     15       0.7364      2.00000
     16       0.7955      2.00000
     17       0.8749      2.00000
     18       0.9523      2.00000
     19       1.0905      2.00000
     20       1.1085      2.00000
     21       1.1967      2.00000
     22       1.2711      2.00000
     23       1.2948      2.00000
     24       1.3642      2.00000
     25       1.4113      2.00000
     26       1.4655      2.00000
     27       1.5515      2.00000
     28       1.6666      2.00000
     29       1.7403      2.00000
     30       1.7725      2.00000
     31       1.8309      2.00000
     32       1.8461      2.00000
     33       1.9585      2.00000
     34       2.0596      2.00000
     35       2.0933      2.00000
     36       2.1316      2.00000
     37       2.2409      2.00000
     38       2.2781      2.00000
     39       2.2872      2.00000
     40       2.4365      2.00000
     41       2.4735      2.00000
     42       2.4782      2.00000
     43       2.5528      2.00000
     44       2.6219      2.00000
     45       2.6488      2.00000
     46       2.7018      2.00000
     47       2.7923      2.00000
     48       2.8011      2.00000
     49       2.8802      2.00000
     50       3.0899      2.00000
     51       3.1674      2.00000
     52       3.2496      2.00000
     53       3.4821      2.00000
     54       3.5623      2.00000
     55       3.6523      2.00000
     56       4.0616      2.00000
     57       4.5105      2.00000
     58       4.5616      2.00000
     59       4.8274      2.00000
     60       5.1668      2.00000
     61       5.6576      2.02858
     62       6.1382      0.16066
     63       6.3992     -0.02152
     64       7.5667     -0.00000
     65       7.7336     -0.00000
     66       8.0251     -0.00000
     67       8.4205     -0.00000
     68       8.9561     -0.00000
     69       9.6286     -0.00000
     70      10.2580     -0.00000
     71      10.3975     -0.00000
     72      11.2682     -0.00000
     73      11.6902      0.00000
     74      12.2887      0.00000
     75      12.4667      0.00000
     76      12.6269      0.00000
     77      13.3638      0.00000
     78      13.6128      0.00000
     79      14.1707      0.00000
     80      14.3056      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0483      2.00000
      9      -0.4644      2.00000
     10      -0.0815      2.00000
     11       0.3264      2.00000
     12       0.4412      2.00000
     13       0.5129      2.00000
     14       0.5660      2.00000
     15       0.6427      2.00000
     16       0.7470      2.00000
     17       0.8185      2.00000
     18       0.9191      2.00000
     19       0.9889      2.00000
     20       1.0217      2.00000
     21       1.0955      2.00000
     22       1.1818      2.00000
     23       1.2101      2.00000
     24       1.3105      2.00000
     25       1.3372      2.00000
     26       1.3584      2.00000
     27       1.4385      2.00000
     28       1.5040      2.00000
     29       1.6036      2.00000
     30       1.7661      2.00000
     31       1.8406      2.00000
     32       1.8612      2.00000
     33       1.9294      2.00000
     34       1.9885      2.00000
     35       2.0412      2.00000
     36       2.1202      2.00000
     37       2.1938      2.00000
     38       2.2604      2.00000
     39       2.3288      2.00000
     40       2.4498      2.00000
     41       2.4921      2.00000
     42       2.5084      2.00000
     43       2.6503      2.00000
     44       2.6811      2.00000
     45       2.7603      2.00000
     46       2.8016      2.00000
     47       2.8503      2.00000
     48       2.9244      2.00000
     49       3.0217      2.00000
     50       3.0818      2.00000
     51       3.1490      2.00000
     52       3.2173      2.00000
     53       3.3233      2.00000
     54       3.4868      2.00000
     55       3.6513      2.00000
     56       3.8498      2.00000
     57       4.7560      2.00000
     58       5.2128      2.00000
     59       5.3400      2.00002
     60       5.5978      2.01133
     61       6.3420     -0.04445
     62       6.5410     -0.00137
     63       7.2846     -0.00000
     64       7.3901     -0.00000
     65       7.6631     -0.00000
     66       8.0563     -0.00000
     67       8.8515     -0.00000
     68       9.6485     -0.00000
     69       9.9788     -0.00000
     70      10.4959     -0.00000
     71      10.6824     -0.00000
     72      11.0092     -0.00000
     73      11.3032     -0.00000
     74      12.4693      0.00000
     75      13.0248      0.00000
     76      13.2962      0.00000
     77      13.5932      0.00000
     78      14.1250      0.00000
     79      14.2238      0.00000
     80      14.8620      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.4872      2.00000
      9      -0.7358      2.00000
     10      -0.3609      2.00000
     11       0.1615      2.00000
     12       0.2181      2.00000
     13       0.4630      2.00000
     14       0.5296      2.00000
     15       0.6063      2.00000
     16       0.6307      2.00000
     17       0.6638      2.00000
     18       0.8212      2.00000
     19       0.8780      2.00000
     20       0.9365      2.00000
     21       0.9745      2.00000
     22       0.9937      2.00000
     23       1.1430      2.00000
     24       1.1784      2.00000
     25       1.2457      2.00000
     26       1.3201      2.00000
     27       1.4358      2.00000
     28       1.5460      2.00000
     29       1.5946      2.00000
     30       1.6157      2.00000
     31       1.6899      2.00000
     32       1.8935      2.00000
     33       1.9652      2.00000
     34       2.0172      2.00000
     35       2.0918      2.00000
     36       2.1942      2.00000
     37       2.2569      2.00000
     38       2.3344      2.00000
     39       2.3549      2.00000
     40       2.4534      2.00000
     41       2.4724      2.00000
     42       2.6322      2.00000
     43       2.6734      2.00000
     44       2.7523      2.00000
     45       2.7775      2.00000
     46       2.8270      2.00000
     47       2.9646      2.00000
     48       2.9846      2.00000
     49       3.1161      2.00000
     50       3.1538      2.00000
     51       3.1962      2.00000
     52       3.3041      2.00000
     53       3.3796      2.00000
     54       3.6129      2.00000
     55       3.7815      2.00000
     56       3.8286      2.00000
     57       4.6171      2.00000
     58       5.1291      2.00000
     59       5.6780      2.03695
     60       6.1373      0.16479
     61       6.4425     -0.01060
     62       6.9193     -0.00000
     63       7.2594     -0.00000
     64       7.9406     -0.00000
     65       8.8935     -0.00000
     66       8.9856     -0.00000
     67       9.2205     -0.00000
     68       9.9785     -0.00000
     69      10.0475     -0.00000
     70      11.7035      0.00000
     71      11.9083      0.00000
     72      12.1184      0.00000
     73      12.2375      0.00000
     74      12.4573      0.00000
     75      12.8925      0.00000
     76      13.2975      0.00000
     77      13.5654      0.00000
     78      13.8118      0.00000
     79      13.9577      0.00000
     80      14.4582      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.000  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.024   0.010   0.030   0.010   0.006  -1.171  -0.014  -0.025  -0.040  -0.014   0.019  -0.005  -0.013   0.007   0.357  -0.000
  0.010   3.075  -0.271   0.019  -0.179  -0.014  -1.061   0.226  -0.010   0.142  -0.066   0.012   0.000   0.172   0.008   0.000
  0.030  -0.271   2.657   0.008  -0.317  -0.025   0.226  -0.700  -0.018   0.233   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.010   0.019   0.008   2.947   0.016  -0.040  -0.010  -0.018  -1.110  -0.007  -0.019   0.004   0.010   0.004  -0.021  -0.000
  0.006  -0.179  -0.317   0.016   3.079  -0.014   0.142   0.233  -0.007  -1.017  -0.143   0.068   0.045  -0.009   0.020   0.008
 -1.171  -0.014  -0.025  -0.040  -0.014   1.225   0.017   0.021   0.066   0.019  -0.017   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.061   0.226  -0.010   0.142   0.017   0.979  -0.182   0.002  -0.106   0.061  -0.014  -0.008  -0.137  -0.007   0.000
 -0.025   0.226  -0.700  -0.018   0.233   0.021  -0.182   0.680   0.026  -0.162  -0.092   0.047   0.085   0.025   0.002  -0.002
 -0.040  -0.010  -0.018  -1.110  -0.007   0.066   0.002   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.013   0.000
 -0.014   0.142   0.233  -0.007  -1.017   0.019  -0.106  -0.162   0.001   0.909   0.133  -0.074  -0.049   0.010  -0.016  -0.000
  0.019  -0.066   0.084  -0.019  -0.143  -0.017   0.061  -0.092   0.019   0.133   2.092  -0.311  -0.042   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.014   0.047  -0.006  -0.074  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.013   0.000  -0.112   0.010   0.045   0.012  -0.008   0.085  -0.009  -0.049  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.002   0.010   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.020  -0.290  -0.007   0.002   0.013  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.68: real time    1.68
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.65: real time    3.66
    STRESS:  cpu time    6.58: real time    6.61
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.13049   469.13049   469.13049
  Ewald   -2470.60600 -3174.43907 -2709.86344   -21.98824   -22.80757    11.88445
  Hartree   848.98048   344.82535   678.28735   -14.73715    -2.01573     7.57088
  E(xc)    -540.90619  -541.58489  -541.06175    -0.02562    -0.13503     0.01472
  Local    -596.05305   609.66720  -186.38930    36.26914    23.63884   -19.01280
  n-local  -102.87043   -99.62070  -101.57961     0.29540     0.73811    -0.26612
  augment   723.83888   723.29728   723.38516     0.02379     0.11676    -0.04251
  Kinetic  1668.46413  1668.73745  1668.07567     0.16231     0.48628    -0.15429
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.02169     0.01311    -0.01542    -0.00037     0.02165    -0.00567
  in kB      -0.13495     0.08158    -0.09596    -0.00227     0.13471    -0.03526
  external pressure =       -0.05 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.51
      direct lattice vectors                 reciprocal lattice vectors
     4.099595603 -0.101558147  0.142328777     0.243618598  0.100368734  0.080486377
    -3.910188986  8.753495948  0.919627150     0.002764274  0.115203637  0.002581773
    -2.321017665 -0.104674431  7.155858339    -0.005200779 -0.016801583  0.137812986

  length of vectors
     4.103322513  9.631146521  7.523588792     0.275503105  0.115265713  0.138930775


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.359E+01 -.159E+03 0.250E+02   0.376E+01 0.162E+03 -.253E+02   -.167E+00 -.281E+01 0.291E+00   -.164E-03 -.475E-03 -.493E-03
   0.359E+01 0.159E+03 -.250E+02   -.375E+01 -.162E+03 0.253E+02   0.167E+00 0.281E+01 -.291E+00   0.165E-03 0.468E-03 0.494E-03
   0.328E+01 0.146E+03 0.666E+01   -.337E+01 -.147E+03 -.648E+01   0.898E-01 0.128E+01 -.176E+00   -.815E-04 -.245E-03 0.734E-03
   -.114E+00 -.694E+02 -.429E+02   0.119E+00 0.690E+02 0.438E+02   -.417E-02 0.321E+00 -.845E+00   0.281E-04 -.278E-03 -.750E-03
   0.628E+01 0.980E+02 -.966E+02   -.634E+01 -.992E+02 0.980E+02   0.615E-01 0.126E+01 -.140E+01   0.858E-04 0.223E-04 0.198E-03
   0.202E-01 -.659E-02 0.143E-01   -.201E-01 0.657E-02 -.143E-01   -.424E-03 0.129E-03 -.134E-03   -.367E-04 0.597E-05 -.859E-05
   -.629E+01 -.979E+02 0.966E+02   0.635E+01 0.992E+02 -.980E+02   -.608E-01 -.126E+01 0.140E+01   -.517E-04 -.427E-04 -.173E-03
   -.329E+01 -.146E+03 -.665E+01   0.338E+01 0.147E+03 0.647E+01   -.898E-01 -.127E+01 0.176E+00   0.117E-03 0.216E-03 -.737E-03
   0.120E+00 0.694E+02 0.429E+02   -.124E+00 -.690E+02 -.438E+02   0.410E-02 -.321E+00 0.845E+00   -.317E-04 0.328E-03 0.758E-03
   0.885E-02 0.937E-03 -.505E-03   -.860E-02 -.872E-03 0.541E-03   -.338E-03 0.480E-04 -.530E-04   0.496E-06 0.213E-05 -.512E-06
   0.963E+00 0.956E+01 -.280E+02   -.968E+00 -.937E+01 0.279E+02   0.444E-02 -.186E+00 0.977E-01   0.211E-05 0.354E-04 0.176E-04
   -.971E+00 -.955E+01 0.280E+02   0.976E+00 0.936E+01 -.279E+02   -.439E-02 0.186E+00 -.977E-01   -.369E-05 -.417E-04 -.190E-04
   0.755E+00 -.919E+01 -.204E+02   -.712E+00 0.923E+01 0.202E+02   -.428E-01 -.406E-01 0.271E+00   -.155E-04 -.382E-04 0.680E-04
   -.169E+01 -.620E+02 0.460E+01   0.169E+01 0.619E+02 -.485E+01   0.489E-02 0.638E-01 0.244E+00   0.596E-05 -.796E-05 0.131E-03
   -.755E+00 0.920E+01 0.204E+02   0.712E+00 -.924E+01 -.202E+02   0.427E-01 0.409E-01 -.271E+00   0.160E-04 0.375E-04 -.661E-04
   0.170E+01 0.620E+02 -.461E+01   -.169E+01 -.619E+02 0.486E+01   -.512E-02 -.637E-01 -.244E+00   -.844E-05 0.815E-05 -.133E-03
 -----------------------------------------------------------------------------------------------
   -.321E-03 -.204E-04 -.144E-03   0.999E-14 0.924E-13 -.355E-14   0.321E-03 0.101E-02 0.657E-04   0.274E-04 -.542E-05 0.199E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06996      6.35792      7.88781        -0.001420      0.002100      0.001461
     -2.91040      8.15497      4.54018         0.001624     -0.002098     -0.001508
     -1.04314      1.16368      4.62820        -0.002225     -0.001772      0.006255
     -2.90189      5.24049      2.40082        -0.000106     -0.002577      0.001355
      1.19284      1.83218      0.31476        -0.000066     -0.002423      0.000877
     -3.08486      2.93045      5.68304        -0.000346      0.000060     -0.000116
     -0.94208      4.03194      4.03768         0.000538      0.002033     -0.000495
     -1.02706      4.59569      6.88018         0.002475      0.001741     -0.006460
      3.15270      0.62375      1.95173        -0.000125      0.002550     -0.001475
     -5.03982      7.30721      6.14281        -0.000085      0.000054     -0.000014
     -0.84854      3.63464      1.26109        -0.000698     -0.001538     -0.002318
      1.09921      2.22966      3.09139         0.000624      0.001740      0.002429
     -0.84994      6.70238      3.45699         0.000180      0.001109     -0.003421
     -2.99631      5.53223      5.14232         0.000155     -0.003661     -0.005378
     -2.80942      7.91536      1.81515        -0.000251     -0.000878      0.003417
      0.92618      0.22711      6.36602        -0.000275      0.003559      0.005390
 -----------------------------------------------------------------------------------
    total drift:                                0.000028      0.000981     -0.000058


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87785999 eV

  energy  without entropy=      -49.88280467  energy(sigma->0) =      -49.87950822
 
 d Force = 0.4906027E-04[ 0.410E-04, 0.571E-04]  d Energy = 0.6007427E-04-0.110E-04
 d Force =-0.4399078E-01[-0.443E-01,-0.437E-01]  d Ewald  =-0.1478305E+00 0.104E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.04


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000060  1 .order   -0.000062   -0.000073   -0.000051
  (g-gl).g = 0.340E-04      g.g   = 0.362E-04  gl.gl    = 0.429E-04
 g(Force)  = 0.280E-04   g(Stress)= 0.816E-05 ortho     = 0.119E-05
 gamma     =   0.79246
 trial     =   1.95587
 opt step  =   6.46660  (harmonic =   6.46660) maximal distance =0.00499890
 next E    =   -49.877920   (d E  =  -0.00012)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.73: real time    0.74
     LOOP+:  cpu time  126.61: real time  127.31


----------------------------------------- Iteration   17(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.56: real time   15.62
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.28: real time   17.36

 eigenvalue-minimisa     EDDAV:  cpu time   18.83: real time   18.88
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.57: real time   20.64

 eigenvalue-minimisations  :  8656
 total energy-change (2. order) : 0.2972301E-06  (-0.1071980E-06)
 number of electron     120.0000051 magnetization 
 augmentation part       42.0483486 magnetization 

 Broyden mixing:
  rms(total) = 0.23145E-03    rms(broyden)= 0.23141E-03
  rms(prec ) = 0.25132E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5228
  2.5267  2.1373  0.8255  1.1134  1.0109

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.79451229
  Ewald energy   TEWEN  =     -8363.01746288
  -1/2 Hartree   DENC   =     -1866.06799869
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.49316724
  PAW double counting   =      9488.03604421    -9415.99959226
  entropy T*S    EENTRO =         0.00529239
  eigenvalues    EBANDS =      -337.33064751
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
     EDDAV:  cpu time   18.94: real time   19.03
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.66: real time   20.76

 eigenvalue-minimisations  :  8736
 total energy-change (2. order) :-0.3032148E-03  (-0.6121716E-03)
 number of electron     120.0000036 magnetization 
     EDDAV:  cpu time   13.48: real time   13.51
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.51: real time   13.55

 eigenvalue-minimisations  :  5280
 total energy-change (2. order) : 0.7554263E-07  (-0.9439604E-08)
 number of electron     120.0000051 magnetization 
 augmentation part       42.0483486 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.79451229
  Ewald energy   TEWEN  =     -8363.01746288
  -1/2 Hartree   DENC   =     -1866.06601337
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.49314232
  PAW double counting   =      9488.01458897    -9415.97847974
  entropy T*S    EENTRO =         0.00529245
  eigenvalues    EBANDS =      -337.33226517
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87710983 eV

  energy without entropy =      -49.88240228  energy(sigma->0) =      -49.87887398


----------------------------------------- Iteration   17(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.96: real time   20.05
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.68: real time   21.79

 eigenvalue-minimisations  :  9360
 total energy-change (2. order) : 0.9797413E-04  (-0.3263219E-04)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0528890 magnetization 

 Broyden mixing:
  rms(total) = 0.29054E-02    rms(broyden)= 0.29054E-02
  rms(prec ) = 0.38928E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4322
  0.8582  2.0062

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.31682083
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45753981
  PAW double counting   =      9486.89170514    -9414.85428715
  entropy T*S    EENTRO =         0.00490736
  eigenvalues    EBANDS =      -338.82031837
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87794089 eV

  energy without entropy =      -49.88284825  energy(sigma->0) =      -49.87957668
   1.1064      2.00000
     24       1.1960      2.00000
     25       1.2253      2.00000
     26       1.2914      2.00000
     27       1.3232      2.00000
     28       1.5894      2.00000
     29       1.6628      2.00000
     30       1.7209      2.00000
     31       1.7503      2.00000
     32       1.7978      2.00000
     33       1.9307      2.00000
     34       1.9478      2.00000
     35       2.1597      2.00000
     36       2.1831      2.00000
     37       2.2799      2.00000
     38       2.3215      2.00000
     39       2.4549      2.00000
     40       2.5444      2.00000
     41       2.5953      2.00000
     42       2.6480      2.00000
     43       2.7311      2.00000
     44       2.8764      2.00000
     45       2.8905      2.00000
     46       2.9168      2.00000
     47       3.0079      2.00000
     48       3.0500      2.00000
     49       3.1165      2.00000
     50       3.1462      2.00000
     51       3.3391      2.00000
     52       3.3900      2.00000
     53       3.5084      2.00000
     54       3.5957      2.00000
     55       3.9005      2.00000
     56       4.0805      2.00000
     57       4.2363      2.00000
     58       4.2506      2.00000
     59       4.9528      2.00000
     60       5.6383      2.01851
     61       6.2826     -0.07038
     62       8.2529     -0.00000
     63       8.3189     -0.00000
     64       8.3380     -0.00000
     65       8.9734     -0.00000
     66       9.6671     -0.00000
     67      10.3894     -0.00000
     68      10.7545     -0.00000
     69      11.4880     -0.00000
     70      11.7850      0.00000
     71      11.8337      0.00000
     72      12.0938      0.00000
     73      12.2768      0.00000
     74      12.3691      0.00000
     75      12.5200      0.00000
     76      12.7938      0.00000
     77      13.3074      0.00000
     78      13.6692      0.00000
     79      13.8030      0.00000
     80      14.6601      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.6624      2.00000
      9      -0.5606      2.00000
     10      -0.2640      2.00000
     11       0.2708      2.00000
     12       0.2901      2.00000
     13       0.3972      2.00000
     14       0.4741      2.00000
     15       0.6101      2.00000
     16       0.6232      2.00000
     17       0.7431      2.00000
     18       0.8329      2.00000
     19       0.9204      2.00000
     20       0.9473      2.00000
     21       0.9827      2.00000
     22       1.1099      2.00000
     23       1.1257      2.00000
     24       1.2063      2.00000
     25       1.2548      2.00000
     26       1.3626      2.00000
     27       1.3899      2.00000
     28       1.5036      2.00000
     29       1.6370      2.00000
     30       1.6735      2.00000
     31       1.7623      2.00000
     32       1.8306      2.00000
     33       1.8619      2.00000
     34       2.0199      2.00000
     35       2.0388      2.00000
     36       2.1786      2.00000
     37       2.2648      2.00000
     38       2.3713      2.00000
     39       2.4653      2.00000
     40       2.5103      2.00000
     41       2.5729      2.00000
     42       2.6157      2.00000
     43       2.6950      2.00000
     44       2.7438      2.00000
     45       2.8153      2.00000
     46       2.8292      2.00000
     47       2.9323      2.00000
     48       3.0649      2.00000
     49       3.1262      2.00000
     50       3.2063      2.00000
     51       3.2476      2.00000
     52       3.2861      2.00000
     53       3.4291      2.00000
     54       3.6254      2.00000
     55       3.7190      2.00000
     56       3.8596      2.00000
     57       4.1092      2.00000
     58       4.5905      2.00000
     59       5.5141      2.00165
     60       6.2813     -0.07053
     61       6.8040     -0.00000
     62       7.1231     -0.00000
     63       7.7352     -0.00000
     64       8.2201     -0.00000
     65       8.5882     -0.00000
     66       8.7301     -0.00000
     67       9.6700     -0.00000
     68      10.2997     -0.00000
     69      10.6284     -0.00000
     70      10.6864     -0.00000
     71      11.1523     -0.00000
     72      11.7398      0.00000
     73      12.5627      0.00000
     74      12.9430      0.00000
     75      13.2483      0.00000
     76      13.3197      0.00000
     77      13.4915      0.00000
     78      13.8754      0.00000
     79      14.4672      0.00000
     80      14.7175      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0216      2.00000
      9      -0.4034      2.00000
     10      -0.1157      2.00000
     11       0.3303      2.00000
     12       0.4299      2.00000
     13       0.5083      2.00000
     14       0.5969      2.00000
     15       0.6584      2.00000
     16       0.7439      2.00000
     17       0.8495      2.00000
     18       0.9237      2.00000
     19       1.0056      2.00000
     20       1.0513      2.00000
     21       1.0852      2.00000
     22       1.1845      2.00000
     23       1.2376      2.00000
     24       1.2911      2.00000
     25       1.3209      2.00000
     26       1.3698      2.00000
     27       1.4660      2.00000
     28       1.5637      2.00000
     29       1.6157      2.00000
     30       1.7357      2.00000
     31       1.8212      2.00000
     32       1.8678      2.00000
     33       1.9663      2.00000
     34       2.0227      2.00000
     35       2.1187      2.00000
     36       2.1326      2.00000
     37       2.1960      2.00000
     38       2.2616      2.00000
     39       2.3181      2.00000
     40       2.4144      2.00000
     41       2.4962      2.00000
     42       2.5458      2.00000
     43       2.6635      2.00000
     44       2.7001      2.00000
     45       2.7532      2.00000
     46       2.8056      2.00000
     47       2.8519      2.00000
     48       2.9353      2.00000
     49       3.0252      2.00000
     50       3.1096      2.00000
     51       3.1549      2.00000
     52       3.2513      2.00000
     53       3.3737      2.00000
     54       3.4667      2.00000
     55       3.5897      2.00000
     56       3.8346      2.00000
     57       4.6278      2.00000
     58       5.0108      2.00000
     59       5.4553      2.00038
     60       5.7935      2.07019
     61       6.4863     -0.00571
     62       6.8433     -0.00000
     63       7.0004     -0.00000
     64       7.5367     -0.00000
     65       8.0187     -0.00000
     66       8.3574     -0.00000
     67       8.7214     -0.00000
     68       9.4450     -0.00000
     69       9.8307     -0.00000
     70      10.3628     -0.00000
     71      10.4965     -0.00000
     72      10.7990     -0.00000
     73      11.4285     -0.00000
     74      12.2216      0.00000
     75      13.1454      0.00000
     76      13.6911      0.00000
     77      13.7656      0.00000
     78      13.8982      0.00000
     79      14.3154      0.00000
     80      14.7201      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3801      2.00000
      9      -0.0986      2.00000
     10       0.0974      2.00000
     11       0.1745      2.00000
     12       0.4935      2.00000
     13       0.5163      2.00000
     14       0.5708      2.00000
     15       0.6429      2.00000
     16       0.8387      2.00000
     17       0.9278      2.00000
     18       0.9429      2.00000
     19       1.1198      2.00000
     20       1.1744      2.00000
     21       1.1971      2.00000
     22       1.2775      2.00000
     23       1.3821      2.00000
     24       1.4024      2.00000
     25       1.4179      2.00000
     26       1.4876      2.00000
     27       1.5245      2.00000
     28       1.6572      2.00000
     29       1.6933      2.00000
     30       1.7449      2.00000
     31       1.8118      2.00000
     32       1.9208      2.00000
     33       1.9611      2.00000
     34       2.0718      2.00000
     35       2.1539      2.00000
     36       2.1723      2.00000
     37       2.1948      2.00000
     38       2.2875      2.00000
     39       2.3260      2.00000
     40       2.3777      2.00000
     41       2.4738      2.00000
     42       2.4883      2.00000
     43       2.5585      2.00000
     44       2.6484      2.00000
     45       2.6859      2.00000
     46       2.7672      2.00000
     47       2.8127      2.00000
     48       2.8524      2.00000
     49       2.9329      2.00000
     50       3.0737      2.00000
     51       3.1754      2.00000
     52       3.2807      2.00000
     53       3.3759      2.00000
     54       3.5668      2.00000
     55       3.6525      2.00000
     56       3.8320      2.00000
     57       4.1569      2.00000
     58       4.3012      2.00000
     59       5.1461      2.00000
     60       5.8738      1.96761
     61       6.0728      0.63974
     62       6.1732      0.06635
     63       6.8333     -0.00000
     64       7.0828     -0.00000
     65       7.6923     -0.00000
     66       8.2358     -0.00000
     67       8.5035     -0.00000
     68       8.8486     -0.00000
     69       9.5041     -0.00000
     70       9.8026     -0.00000
     71      10.5474     -0.00000
     72      10.9684     -0.00000
     73      11.1738     -0.00000
     74      11.7950      0.00000
     75      12.3014      0.00000
     76      12.7736      0.00000
     77      13.4501      0.00000
     78      13.8079      0.00000
     79      13.9818      0.00000
     80      14.6667      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9030      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5788      2.00000
      8      -0.4350      2.00000
      9      -0.1678      2.00000
     10       0.0459      2.00000
     11       0.1469      2.00000
     12       0.5118      2.00000
     13       0.5362      2.00000
     14       0.7109      2.00000
     15       0.7497      2.00000
     16       0.8833      2.00000
     17       0.9224      2.00000
     18       1.0003      2.00000
     19       1.0788      2.00000
     20       1.0978      2.00000
     21       1.2528      2.00000
     22       1.2886      2.00000
     23       1.3382      2.00000
     24       1.3957      2.00000
     25       1.4041      2.00000
     26       1.4573      2.00000
     27       1.5022      2.00000
     28       1.6787      2.00000
     29       1.7137      2.00000
     30       1.7559      2.00000
     31       1.8127      2.00000
     32       1.8875      2.00000
     33       1.9149      2.00000
     34       2.0502      2.00000
     35       2.0891      2.00000
     36       2.1543      2.00000
     37       2.1720      2.00000
     38       2.2395      2.00000
     39       2.3469      2.00000
     40       2.4520      2.00000
     41       2.4735      2.00000
     42       2.5510      2.00000
     43       2.5926      2.00000
     44       2.6340      2.00000
     45       2.6901      2.00000
     46       2.7447      2.00000
     47       2.8190      2.00000
     48       2.8597      2.00000
     49       2.9202      2.00000
     50       3.1107      2.00000
     51       3.1936      2.00000
     52       3.2181      2.00000
     53       3.5279      2.00000
     54       3.5622      2.00000
     55       3.7545      2.00000
     56       4.2115      2.00000
     57       4.4011      2.00000
     58       4.5793      2.00000
     59       4.7304      2.00000
     60       5.1915      2.00000
     61       5.6160      2.01288
     62       6.0952      0.47298
     63       6.1234      0.29159
     64       7.1121     -0.00000
     65       8.2819     -0.00000
     66       8.4242     -0.00000
     67       8.9328     -0.00000
     68       9.1869     -0.00000
     69       9.2883     -0.00000
     70       9.9698     -0.00000
     71      10.4804     -0.00000
     72      10.6103     -0.00000
     73      11.3653     -0.00000
     74      11.9189      0.00000
     75      12.5833      0.00000
     76      13.1904      0.00000
     77      13.5577      0.00000
     78      13.9035      0.00000
     79      14.1533      0.00000
     80      14.4609      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5849      2.00000
      7     -39.5757      2.00000
      8      -1.1531      2.00000
      9      -0.4679      2.00000
     10       0.0332      2.00000
     11       0.1569      2.00000
     12       0.5278      2.00000
     13       0.6005      2.00000
     14       0.6590      2.00000
     15       0.6970      2.00000
     16       0.8296      2.00000
     17       0.8442      2.00000
     18       0.8796      2.00000
     19       0.9703      2.00000
     20       1.0977      2.00000
     21       1.1400      2.00000
     22       1.1951      2.00000
     23       1.2194      2.00000
     24       1.3136      2.00000
     25       1.3514      2.00000
     26       1.4044      2.00000
     27       1.4546      2.00000
     28       1.4878      2.00000
     29       1.6469      2.00000
     30       1.7474      2.00000
     31       1.7714      2.00000
     32       1.8490      2.00000
     33       1.9123      2.00000
     34       1.9705      2.00000
     35       2.0657      2.00000
     36       2.1689      2.00000
     37       2.2301      2.00000
     38       2.3056      2.00000
     39       2.3689      2.00000
     40       2.4498      2.00000
     41       2.5273      2.00000
     42       2.5667      2.00000
     43       2.6139      2.00000
     44       2.6685      2.00000
     45       2.7821      2.00000
     46       2.8014      2.00000
     47       2.8861      2.00000
     48       2.8969      2.00000
     49       3.0553      2.00000
     50       3.1014      2.00000
     51       3.1460      2.00000
     52       3.2266      2.00000
     53       3.3340      2.00000
     54       3.5413      2.00000
     55       3.7106      2.00000
     56       4.1093      2.00000
     57       4.4615      2.00000
     58       4.8593      2.00000
     59       5.5013      2.00122
     60       5.7035      2.04356
     61       6.0917      0.49790
     62       6.3778     -0.03338
     63       6.9889     -0.00000
     64       7.2019     -0.00000
     65       7.5914     -0.00000
     66       8.2205     -0.00000
     67       9.0317     -0.00000
     68       9.2881     -0.00000
     69      10.2608     -0.00000
     70      11.0541     -0.00000
     71      11.3385     -0.00000
     72      11.7113      0.00000
     73      12.1313      0.00000
     74      12.3774      0.00000
     75      12.7902      0.00000
     76      13.4255      0.00000
     77      13.6374      0.00000
     78      13.9199      0.00000
     79      14.3015      0.00000
     80      14.4318      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6384      2.00000
      6     -39.5869      2.00000
      7     -39.5736      2.00000
      8      -1.7471      2.00000
      9      -0.6206      2.00000
     10       0.0504      2.00000
     11       0.1863      2.00000
     12       0.3394      2.00000
     13       0.3475      2.00000
     14       0.4174      2.00000
     15       0.6351      2.00000
     16       0.6535      2.00000
     17       0.7443      2.00000
     18       0.8234      2.00000
     19       0.8965      2.00000
     20       0.9180      2.00000
     21       1.0692      2.00000
     22       1.0772      2.00000
     23       1.1576      2.00000
     24       1.2270      2.00000
     25       1.2875      2.00000
     26       1.3093      2.00000
     27       1.3410      2.00000
     28       1.4748      2.00000
     29       1.6723      2.00000
     30       1.6910      2.00000
     31       1.7792      2.00000
     32       1.8411      2.00000
     33       1.9063      2.00000
     34       1.9322      2.00000
     35       2.0909      2.00000
     36       2.1681      2.00000
     37       2.2870      2.00000
     38       2.3377      2.00000
     39       2.3913      2.00000
     40       2.4963      2.00000
     41       2.5326      2.00000
     42       2.6249      2.00000
     43       2.7486      2.00000
     44       2.8061      2.00000
     45       2.8356      2.00000
     46       2.8804      2.00000
     47       2.9426      2.00000
     48       3.0357      2.00000
     49       3.1050      2.00000
     50       3.1384      2.00000
     51       3.2173      2.00000
     52       3.2755      2.00000
     53       3.4468      2.00000
     54       3.6868      2.00000
     55       3.8020      2.00000
     56       3.9560      2.00000
     57       4.1307      2.00000
     58       4.8651      2.00000
     59       5.0663      2.00000
     60       5.5775      2.00638
     61       6.7200     -0.00001
     62       7.1971     -0.00000
     63       7.7382     -0.00000
     64       8.2358     -0.00000
     65       8.7589     -0.00000
     66       8.9921     -0.00000
     67       9.4068     -0.00000
     68      10.2110     -0.00000
     69      10.7866     -0.00000
     70      10.8403     -0.00000
     71      11.4354     -0.00000
     72      12.4929      0.00000
     73      12.8979      0.00000
     74      13.1051      0.00000
     75      13.2866      0.00000
     76      13.4487      0.00000
     77      13.8187      0.00000
     78      13.8957      0.00000
     79      14.3093      0.00000
     80      14.4294      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9059      2.00000
      2     -39.8988      2.00000
      3     -39.7819      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5877      2.00000
      7     -39.5729      2.00000
      8      -1.8527      2.00000
      9      -0.8871      2.00000
     10      -0.0218      2.00000
     11       0.1720      2.00000
     12       0.2177      2.00000
     13       0.3069      2.00000
     14       0.4369      2.00000
     15       0.5912      2.00000
     16       0.6216      2.00000
     17       0.6339      2.00000
     18       0.6980      2.00000
     19       0.7839      2.00000
     20       0.8510      2.00000
     21       0.9441      2.00000
     22       1.0459      2.00000
     23       1.0878      2.00000
     24       1.2591      2.00000
     25       1.3065      2.00000
     26       1.4062      2.00000
     27       1.4310      2.00000
     28       1.5991      2.00000
     29       1.6171      2.00000
     30       1.6564      2.00000
     31       1.7127      2.00000
     32       1.8117      2.00000
     33       1.8921      2.00000
     34       1.9519      2.00000
     35       2.1706      2.00000
     36       2.2335      2.00000
     37       2.2347      2.00000
     38       2.3000      2.00000
     39       2.4493      2.00000
     40       2.5098      2.00000
     41       2.6314      2.00000
     42       2.6722      2.00000
     43       2.6802      2.00000
     44       2.8225      2.00000
     45       2.8479      2.00000
     46       2.8919      2.00000
     47       2.9201      2.00000
     48       3.0682      2.00000
     49       3.1193      2.00000
     50       3.1613      2.00000
     51       3.3301      2.00000
     52       3.3762      2.00000
     53       3.4641      2.00000
     54       3.6433      2.00000
     55       3.9666      2.00000
     56       4.2338      2.00000
     57       4.2389      2.00000
     58       4.3646      2.00000
     59       4.8915      2.00000
     60       6.3064     -0.06450
     61       6.4986     -0.00445
     62       6.9531     -0.00000
     63       7.2557     -0.00000
     64       8.8123     -0.00000
     65       9.5618     -0.00000
     66       9.7151     -0.00000
     67       9.9005     -0.00000
     68      11.0095     -0.00000
     69      11.1937     -0.00000
     70      11.2825     -0.00000
     71      11.4898      0.00000
     72      12.3217      0.00000
     73      12.7058      0.00000
     74      13.1459      0.00000
     75      13.4101      0.00000
     76      13.5517      0.00000
     77      13.8347      0.00000
     78      14.0226      0.00000
     79      14.2961      0.00000
     80      14.5397      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.5720      2.00000
      9      -0.8078      2.00000
     10      -0.1372      2.00000
     11       0.2325      2.00000
     12       0.2741      2.00000
     13       0.4345      2.00000
     14       0.5124      2.00000
     15       0.5837      2.00000
     16       0.6306      2.00000
     17       0.6989      2.00000
     18       0.7949      2.00000
     19       0.8966      2.00000
     20       0.9686      2.00000
     21       0.9925      2.00000
     22       1.0627      2.00000
     23       1.1630      2.00000
     24       1.2240      2.00000
     25       1.3030      2.00000
     26       1.3807      2.00000
     27       1.4075      2.00000
     28       1.5391      2.00000
     29       1.5729      2.00000
     30       1.6284      2.00000
     31       1.6809      2.00000
     32       1.8967      2.00000
     33       1.9749      2.00000
     34       2.0293      2.00000
     35       2.1658      2.00000
     36       2.1960      2.00000
     37       2.2749      2.00000
     38       2.3224      2.00000
     39       2.3706      2.00000
     40       2.3963      2.00000
     41       2.4533      2.00000
     42       2.6602      2.00000
     43       2.6793      2.00000
     44       2.7834      2.00000
     45       2.7993      2.00000
     46       2.8510      2.00000
     47       2.9926      2.00000
     48       3.0195      2.00000
     49       3.1256      2.00000
     50       3.1857      2.00000
     51       3.2008      2.00000
     52       3.3154      2.00000
     53       3.4665      2.00000
     54       3.6536      2.00000
     55       3.7112      2.00000
     56       3.8990      2.00000
     57       4.4510      2.00000
     58       4.9235      2.00000
     59       5.5468      2.00341
     60       5.8709      1.97526
     61       6.5407     -0.00178
     62       7.0463     -0.00000
     63       7.5302     -0.00000
     64       8.0768     -0.00000
     65       8.3493     -0.00000
     66       8.9294     -0.00000
     67       9.4048     -0.00000
     68       9.6654     -0.00000
     69      10.4728     -0.00000
     70      12.0122      0.00000
     71      12.3270      0.00000
     72      12.4108      0.00000
     73      12.5936      0.00000
     74      12.7348      0.00000
     75      12.8833      0.00000
     76      13.3332      0.00000
     77      13.6193      0.00000
     78      13.9495      0.00000
     79      14.0095      0.00000
     80      14.4381      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0172      2.00000
      9      -0.3759      2.00000
     10      -0.1253      2.00000
     11       0.3298      2.00000
     12       0.4044      2.00000
     13       0.5046      2.00000
     14       0.5420      2.00000
     15       0.6826      2.00000
     16       0.7890      2.00000
     17       0.8235      2.00000
     18       0.9414      2.00000
     19       0.9506      2.00000
     20       1.0333      2.00000
     21       1.0821      2.00000
     22       1.1725      2.00000
     23       1.2247      2.00000
     24       1.3153      2.00000
     25       1.3640      2.00000
     26       1.4219      2.00000
     27       1.4871      2.00000
     28       1.5580      2.00000
     29       1.6219      2.00000
     30       1.7600      2.00000
     31       1.8340      2.00000
     32       1.8936      2.00000
     33       1.9342      2.00000
     34       1.9953      2.00000
     35       2.0456      2.00000
     36       2.0901      2.00000
     37       2.1447      2.00000
     38       2.2216      2.00000
     39       2.3183      2.00000
     40       2.4713      2.00000
     41       2.5087      2.00000
     42       2.5727      2.00000
     43       2.6280      2.00000
     44       2.6916      2.00000
     45       2.8042      2.00000
     46       2.8308      2.00000
     47       2.8835      2.00000
     48       2.9340      2.00000
     49       2.9848      2.00000
     50       3.0930      2.00000
     51       3.1805      2.00000
     52       3.2572      2.00000
     53       3.2920      2.00000
     54       3.4811      2.00000
     55       3.6173      2.00000
     56       4.0116      2.00000
     57       4.4868      2.00000
     58       5.2660      2.00000
     59       5.6927      2.03867
     60       5.9143      1.81588
     61       6.3011     -0.06626
     62       6.5446     -0.00163
     63       6.7153     -0.00001
     64       7.4485     -0.00000
     65       7.6905     -0.00000
     66       8.1130     -0.00000
     67       9.1423     -0.00000
     68       9.8259     -0.00000
     69       9.9662     -0.00000
     70      10.1537     -0.00000
     71      11.1085     -0.00000
     72      11.2089     -0.00000
     73      11.8049      0.00000
     74      12.0837      0.00000
     75      12.4283      0.00000
     76      12.8094      0.00000
     77      13.3211      0.00000
     78      13.6943      0.00000
     79      14.0965      0.00000
     80      14.4637      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3812      2.00000
      9      -0.0737      2.00000
     10       0.0756      2.00000
     11       0.1547      2.00000
     12       0.4207      2.00000
     13       0.5269      2.00000
     14       0.6148      2.00000
     15       0.7238      2.00000
     16       0.8609      2.00000
     17       0.9128      2.00000
     18       0.9232      2.00000
     19       1.1050      2.00000
     20       1.1595      2.00000
     21       1.1940      2.00000
     22       1.2541      2.00000
     23       1.3226      2.00000
     24       1.4062      2.00000
     25       1.4713      2.00000
     26       1.5004      2.00000
     27       1.6060      2.00000
     28       1.6787      2.00000
     29       1.7210      2.00000
     30       1.7401      2.00000
     31       1.8464      2.00000
     32       1.8880      2.00000
     33       1.9686      2.00000
     34       1.9881      2.00000
     35       2.0795      2.00000
     36       2.1276      2.00000
     37       2.2404      2.00000
     38       2.3103      2.00000
     39       2.3555      2.00000
     40       2.3954      2.00000
     41       2.4644      2.00000
     42       2.5198      2.00000
     43       2.5341      2.00000
     44       2.6351      2.00000
     45       2.7015      2.00000
     46       2.7399      2.00000
     47       2.8024      2.00000
     48       2.8538      2.00000
     49       2.8801      2.00000
     50       3.0800      2.00000
     51       3.1512      2.00000
     52       3.2803      2.00000
     53       3.3362      2.00000
     54       3.4897      2.00000
     55       3.5982      2.00000
     56       3.7420      2.00000
     57       4.4222      2.00000
     58       4.7796      2.00000
     59       5.1405      2.00000
     60       5.6738      2.03071
     61       5.9450      1.64674
     62       6.2205     -0.04014
     63       6.5385     -0.00187
     64       6.7488     -0.00000
     65       7.7515     -0.00000
     66       8.0647     -0.00000
     67       8.5372     -0.00000
     68       9.3112     -0.00000
     69       9.7467     -0.00000
     70      10.2030     -0.00000
     71      10.8582     -0.00000
     72      10.9961     -0.00000
     73      11.4021     -0.00000
     74      11.6343      0.00000
     75      12.1641      0.00000
     76      12.4996      0.00000
     77      13.1499      0.00000
     78      13.4311      0.00000
     79      14.0279      0.00000
     80      14.3252      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9030      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6385      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5788      2.00000
      8      -0.4325      2.00000
      9      -0.1412      2.00000
     10      -0.0322      2.00000
     11       0.1442      2.00000
     12       0.5575      2.00000
     13       0.6756      2.00000
     14       0.7084      2.00000
     15       0.7378      2.00000
     16       0.8049      2.00000
     17       0.8923      2.00000
     18       0.9620      2.00000
     19       1.0950      2.00000
     20       1.1143      2.00000
     21       1.1478      2.00000
     22       1.2706      2.00000
     23       1.3460      2.00000
     24       1.3756      2.00000
     25       1.3985      2.00000
     26       1.5517      2.00000
     27       1.5916      2.00000
     28       1.6772      2.00000
     29       1.7236      2.00000
     30       1.7724      2.00000
     31       1.8227      2.00000
     32       1.8664      2.00000
     33       1.9701      2.00000
     34       2.0052      2.00000
     35       2.1021      2.00000
     36       2.1706      2.00000
     37       2.2471      2.00000
     38       2.3324      2.00000
     39       2.3472      2.00000
     40       2.4596      2.00000
     41       2.4766      2.00000
     42       2.5027      2.00000
     43       2.5320      2.00000
     44       2.5759      2.00000
     45       2.5879      2.00000
     46       2.7334      2.00000
     47       2.7672      2.00000
     48       2.8224      2.00000
     49       2.8909      2.00000
     50       3.1371      2.00000
     51       3.1722      2.00000
     52       3.2994      2.00000
     53       3.5174      2.00000
     54       3.5819      2.00000
     55       3.6559      2.00000
     56       4.0728      2.00000
     57       4.4179      2.00000
     58       4.5196      2.00000
     59       5.0188      2.00000
     60       5.1582      2.00000
     61       5.8286      2.05077
     62       6.1517      0.14823
     63       6.5192     -0.00288
     64       7.1753     -0.00000
     65       7.2731     -0.00000
     66       7.7654     -0.00000
     67       8.3301     -0.00000
     68       9.5832     -0.00000
     69       9.9980     -0.00000
     70      10.5967     -0.00000
     71      11.0428     -0.00000
     72      11.2899     -0.00000
     73      11.8137      0.00000
     74      12.0505      0.00000
     75      12.2675      0.00000
     76      12.9003      0.00000
     77      13.1819      0.00000
     78      13.3338      0.00000
     79      14.1678      0.00000
     80      14.3277      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.1992      2.00000
      9      -0.3325      2.00000
     10      -0.0672      2.00000
     11       0.1129      2.00000
     12       0.5583      2.00000
     13       0.5841      2.00000
     14       0.6473      2.00000
     15       0.7226      2.00000
     16       0.8541      2.00000
     17       0.8873      2.00000
     18       0.9527      2.00000
     19       1.0172      2.00000
     20       1.0887      2.00000
     21       1.1203      2.00000
     22       1.1843      2.00000
     23       1.2520      2.00000
     24       1.2730      2.00000
     25       1.3293      2.00000
     26       1.3928      2.00000
     27       1.4031      2.00000
     28       1.5601      2.00000
     29       1.6832      2.00000
     30       1.7113      2.00000
     31       1.8213      2.00000
     32       1.8956      2.00000
     33       1.9387      2.00000
     34       2.0115      2.00000
     35       2.0259      2.00000
     36       2.0625      2.00000
     37       2.1687      2.00000
     38       2.2132      2.00000
     39       2.4043      2.00000
     40       2.4484      2.00000
     41       2.5024      2.00000
     42       2.5520      2.00000
     43       2.6239      2.00000
     44       2.6724      2.00000
     45       2.7743      2.00000
     46       2.8615      2.00000
     47       2.8930      2.00000
     48       2.9363      2.00000
     49       3.0328      2.00000
     50       3.0644      2.00000
     51       3.1132      2.00000
     52       3.1973      2.00000
     53       3.2946      2.00000
     54       3.5358      2.00000
     55       3.6616      2.00000
     56       4.0091      2.00000
     57       4.3429      2.00000
     58       5.3315      2.00001
     59       5.4929      2.00099
     60       5.6760      2.03159
     61       5.8465      2.02720
     62       6.6482     -0.00011
     63       6.9583     -0.00000
     64       7.4582     -0.00000
     65       7.8435     -0.00000
     66       7.9127     -0.00000
     67       8.4702     -0.00000
     68       9.7571     -0.00000
     69      10.0111     -0.00000
     70      10.4564     -0.00000
     71      11.7492      0.00000
     72      12.2608      0.00000
     73      12.5739      0.00000
     74      12.8995      0.00000
     75      13.1084      0.00000
     76      13.4128      0.00000
     77      13.4675      0.00000
     78      13.5694      0.00000
     79      13.8924      0.00000
     80      14.1454      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5869      2.00000
      7     -39.5736      2.00000
      8      -1.7335      2.00000
      9      -0.6590      2.00000
     10       0.0219      2.00000
     11       0.2403      2.00000
     12       0.3295      2.00000
     13       0.3522      2.00000
     14       0.4154      2.00000
     15       0.6371      2.00000
     16       0.6490      2.00000
     17       0.7287      2.00000
     18       0.8208      2.00000
     19       0.8857      2.00000
     20       0.9678      2.00000
     21       1.0284      2.00000
     22       1.0941      2.00000
     23       1.1615      2.00000
     24       1.2384      2.00000
     25       1.2667      2.00000
     26       1.3429      2.00000
     27       1.4115      2.00000
     28       1.4489      2.00000
     29       1.6151      2.00000
     30       1.6897      2.00000
     31       1.7328      2.00000
     32       1.8319      2.00000
     33       1.8842      2.00000
     34       1.9637      2.00000
     35       2.1345      2.00000
     36       2.2055      2.00000
     37       2.2630      2.00000
     38       2.3159      2.00000
     39       2.4067      2.00000
     40       2.5224      2.00000
     41       2.5481      2.00000
     42       2.6176      2.00000
     43       2.7303      2.00000
     44       2.7682      2.00000
     45       2.8096      2.00000
     46       2.8947      2.00000
     47       2.9755      2.00000
     48       3.0071      2.00000
     49       3.1266      2.00000
     50       3.1693      2.00000
     51       3.2205      2.00000
     52       3.2982      2.00000
     53       3.4435      2.00000
     54       3.6386      2.00000
     55       3.7891      2.00000
     56       3.9595      2.00000
     57       4.1686      2.00000
     58       4.5227      2.00000
     59       5.2772      2.00000
     60       6.0717      0.64838
     61       6.5987     -0.00043
     62       7.0127     -0.00000
     63       7.8034     -0.00000
     64       8.0751     -0.00000
     65       8.3798     -0.00000
     66       8.7357     -0.00000
     67       9.7009     -0.00000
     68      10.4810     -0.00000
     69      10.9154     -0.00000
     70      11.0551     -0.00000
     71      11.3106     -0.00000
     72      12.5166      0.00000
     73      12.8817      0.00000
     74      13.0446      0.00000
     75      13.1902      0.00000
     76      13.5114      0.00000
     77      13.5985      0.00000
     78      13.9644      0.00000
     79      14.3682      0.00000
     80      14.4926      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9058      2.00000
      2     -39.8988      2.00000
      3     -39.7819      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5876      2.00000
      7     -39.5728      2.00000
      8      -1.8456      2.00000
      9      -0.9223      2.00000
     10       0.0490      2.00000
     11       0.1803      2.00000
     12       0.2120      2.00000
     13       0.3013      2.00000
     14       0.4301      2.00000
     15       0.6031      2.00000
     16       0.6228      2.00000
     17       0.6329      2.00000
     18       0.6989      2.00000
     19       0.7324      2.00000
     20       0.8526      2.00000
     21       0.9579      2.00000
     22       1.0972      2.00000
     23       1.1103      2.00000
     24       1.2101      2.00000
     25       1.2773      2.00000
     26       1.3593      2.00000
     27       1.3767      2.00000
     28       1.5591      2.00000
     29       1.6596      2.00000
     30       1.7026      2.00000
     31       1.7194      2.00000
     32       1.8113      2.00000
     33       1.8722      2.00000
     34       1.9042      2.00000
     35       2.1319      2.00000
     36       2.2244      2.00000
     37       2.2613      2.00000
     38       2.3904      2.00000
     39       2.4402      2.00000
     40       2.5365      2.00000
     41       2.5971      2.00000
     42       2.6309      2.00000
     43       2.6879      2.00000
     44       2.8552      2.00000
     45       2.8787      2.00000
     46       2.9964      2.00000
     47       3.0607      2.00000
     48       3.0638      2.00000
     49       3.1411      2.00000
     50       3.1961      2.00000
     51       3.2805      2.00000
     52       3.3230      2.00000
     53       3.5460      2.00000
     54       3.6556      2.00000
     55       3.9262      2.00000
     56       3.9540      2.00000
     57       4.2223      2.00000
     58       4.4170      2.00000
     59       5.0208      2.00000
     60       5.6290      2.01597
     61       6.2495     -0.06549
     62       7.7526     -0.00000
     63       8.2283     -0.00000
     64       8.6169     -0.00000
     65       8.6543     -0.00000
     66       9.7721     -0.00000
     67      10.3916     -0.00000
     68      10.6041     -0.00000
     69      10.8152     -0.00000
     70      11.2807     -0.00000
     71      11.7434      0.00000
     72      12.4924      0.00000
     73      12.7624      0.00000
     74      12.8316      0.00000
     75      13.1690      0.00000
     76      13.2624      0.00000
     77      13.7161      0.00000
     78      14.4418      0.00000
     79      14.5032      0.00000
     80      14.5584      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.6453      2.00000
      9      -0.6401      2.00000
     10      -0.1982      2.00000
     11       0.2549      2.00000
     12       0.3008      2.00000
     13       0.4429      2.00000
     14       0.4493      2.00000
     15       0.5992      2.00000
     16       0.6445      2.00000
     17       0.7372      2.00000
     18       0.7917      2.00000
     19       0.8844      2.00000
     20       0.9473      2.00000
     21       0.9925      2.00000
     22       1.0901      2.00000
     23       1.1527      2.00000
     24       1.1846      2.00000
     25       1.2598      2.00000
     26       1.3733      2.00000
     27       1.3830      2.00000
     28       1.5046      2.00000
     29       1.6330      2.00000
     30       1.6533      2.00000
     31       1.7540      2.00000
     32       1.8842      2.00000
     33       1.9036      2.00000
     34       2.0061      2.00000
     35       2.0862      2.00000
     36       2.1902      2.00000
     37       2.2455      2.00000
     38       2.3293      2.00000
     39       2.4097      2.00000
     40       2.4835      2.00000
     41       2.5779      2.00000
     42       2.6384      2.00000
     43       2.7302      2.00000
     44       2.7747      2.00000
     45       2.8320      2.00000
     46       2.8640      2.00000
     47       2.9384      2.00000
     48       3.0316      2.00000
     49       3.0943      2.00000
     50       3.1521      2.00000
     51       3.2326      2.00000
     52       3.2686      2.00000
     53       3.5554      2.00000
     54       3.6814      2.00000
     55       3.7519      2.00000
     56       3.8210      2.00000
     57       4.1018      2.00000
     58       4.9602      2.00000
     59       5.0876      2.00000
     60       5.8407      2.03601
     61       6.8133     -0.00000
     62       7.2051     -0.00000
     63       7.7778     -0.00000
     64       8.6942     -0.00000
     65       8.9465     -0.00000
     66       9.1809     -0.00000
     67       9.4697     -0.00000
     68       9.6320     -0.00000
     69       9.7987     -0.00000
     70      10.9798     -0.00000
     71      11.5698      0.00000
     72      12.1448      0.00000
     73      12.3385      0.00000
     74      12.4849      0.00000
     75      13.1734      0.00000
     76      13.3293      0.00000
     77      13.6967      0.00000
     78      14.0961      0.00000
     79      14.4200      0.00000
     80      14.5546      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0657      2.00000
      9      -0.2576      2.00000
     10      -0.2005      2.00000
     11       0.2706      2.00000
     12       0.4348      2.00000
     13       0.5339      2.00000
     14       0.5691      2.00000
     15       0.6911      2.00000
     16       0.7993      2.00000
     17       0.8457      2.00000
     18       0.9214      2.00000
     19       1.0160      2.00000
     20       1.1035      2.00000
     21       1.1099      2.00000
     22       1.1533      2.00000
     23       1.2084      2.00000
     24       1.2398      2.00000
     25       1.2884      2.00000
     26       1.3653      2.00000
     27       1.5049      2.00000
     28       1.5908      2.00000
     29       1.6463      2.00000
     30       1.6713      2.00000
     31       1.8300      2.00000
     32       1.8487      2.00000
     33       2.0058      2.00000
     34       2.0133      2.00000
     35       2.0738      2.00000
     36       2.1804      2.00000
     37       2.2136      2.00000
     38       2.2569      2.00000
     39       2.3078      2.00000
     40       2.3804      2.00000
     41       2.5193      2.00000
     42       2.6369      2.00000
     43       2.6647      2.00000
     44       2.7303      2.00000
     45       2.7687      2.00000
     46       2.8116      2.00000
     47       2.8512      2.00000
     48       2.9386      2.00000
     49       2.9659      2.00000
     50       3.1054      2.00000
     51       3.1292      2.00000
     52       3.2203      2.00000
     53       3.4225      2.00000
     54       3.5060      2.00000
     55       3.5961      2.00000
     56       3.6958      2.00000
     57       4.4290      2.00000
     58       4.8089      2.00000
     59       5.4355      2.00022
     60       5.9982      1.25787
     61       6.6116     -0.00030
     62       6.9606     -0.00000
     63       7.0347     -0.00000
     64       7.3473     -0.00000
     65       8.2750     -0.00000
     66       8.5208     -0.00000
     67       8.8303     -0.00000
     68       9.3602     -0.00000
     69       9.9953     -0.00000
     70      10.2051     -0.00000
     71      10.3554     -0.00000
     72      11.0944     -0.00000
     73      11.7871      0.00000
     74      12.1599      0.00000
     75      12.3178      0.00000
     76      12.9909      0.00000
     77      13.8059      0.00000
     78      13.8393      0.00000
     79      14.1257      0.00000
     80      14.2552      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3552      2.00000
      9      -0.1311      2.00000
     10       0.0864      2.00000
     11       0.1561      2.00000
     12       0.4647      2.00000
     13       0.5748      2.00000
     14       0.6446      2.00000
     15       0.6981      2.00000
     16       0.7469      2.00000
     17       0.9010      2.00000
     18       0.9573      2.00000
     19       1.0733      2.00000
     20       1.1568      2.00000
     21       1.1900      2.00000
     22       1.2240      2.00000
     23       1.3322      2.00000
     24       1.3896      2.00000
     25       1.4815      2.00000
     26       1.5444      2.00000
     27       1.5767      2.00000
     28       1.6453      2.00000
     29       1.7197      2.00000
     30       1.7922      2.00000
     31       1.8580      2.00000
     32       1.9178      2.00000
     33       1.9498      2.00000
     34       2.0972      2.00000
     35       2.1555      2.00000
     36       2.1649      2.00000
     37       2.2567      2.00000
     38       2.2706      2.00000
     39       2.3425      2.00000
     40       2.3835      2.00000
     41       2.4259      2.00000
     42       2.5237      2.00000
     43       2.5760      2.00000
     44       2.6049      2.00000
     45       2.6246      2.00000
     46       2.6953      2.00000
     47       2.7828      2.00000
     48       2.8018      2.00000
     49       2.8852      2.00000
     50       3.0809      2.00000
     51       3.1387      2.00000
     52       3.1971      2.00000
     53       3.3732      2.00000
     54       3.5425      2.00000
     55       3.6368      2.00000
     56       3.8985      2.00000
     57       4.3832      2.00000
     58       4.7370      2.00000
     59       5.1074      2.00000
     60       5.6430      2.01988
     61       5.7021      2.04291
     62       6.1955      0.00435
     63       6.6533     -0.00009
     64       7.0161     -0.00000
     65       7.5195     -0.00000
     66       7.8839     -0.00000
     67       9.0157     -0.00000
     68       9.6083     -0.00000
     69       9.9042     -0.00000
     70      10.0995     -0.00000
     71      10.5086     -0.00000
     72      10.7403     -0.00000
     73      11.1201     -0.00000
     74      11.6441      0.00000
     75      12.2710      0.00000
     76      13.0027      0.00000
     77      13.2074      0.00000
     78      13.9211      0.00000
     79      13.9255      0.00000
     80      14.0791      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5788      2.00000
      8      -0.4405      2.00000
      9      -0.1372      2.00000
     10      -0.0011      2.00000
     11       0.1392      2.00000
     12       0.5451      2.00000
     13       0.5831      2.00000
     14       0.6528      2.00000
     15       0.7629      2.00000
     16       0.8722      2.00000
     17       0.9594      2.00000
     18       1.0114      2.00000
     19       1.0620      2.00000
     20       1.1192      2.00000
     21       1.1792      2.00000
     22       1.2313      2.00000
     23       1.3243      2.00000
     24       1.4027      2.00000
     25       1.4828      2.00000
     26       1.5112      2.00000
     27       1.5591      2.00000
     28       1.6091      2.00000
     29       1.7236      2.00000
     30       1.7648      2.00000
     31       1.8038      2.00000
     32       1.9043      2.00000
     33       1.9658      2.00000
     34       1.9804      2.00000
     35       2.0621      2.00000
     36       2.1900      2.00000
     37       2.2011      2.00000
     38       2.2982      2.00000
     39       2.3351      2.00000
     40       2.3649      2.00000
     41       2.4834      2.00000
     42       2.5055      2.00000
     43       2.5924      2.00000
     44       2.6264      2.00000
     45       2.6883      2.00000
     46       2.7811      2.00000
     47       2.8104      2.00000
     48       2.8236      2.00000
     49       2.9097      2.00000
     50       3.1338      2.00000
     51       3.1885      2.00000
     52       3.2422      2.00000
     53       3.5240      2.00000
     54       3.5816      2.00000
     55       3.6949      2.00000
     56       3.8833      2.00000
     57       4.4475      2.00000
     58       4.5982      2.00000
     59       4.9957      2.00000
     60       5.4306      2.00019
     61       5.7550      2.06560
     62       5.8370      2.04098
     63       6.7203     -0.00001
     64       7.0005     -0.00000
     65       7.3059     -0.00000
     66       7.5358     -0.00000
     67       9.0414     -0.00000
     68       9.4096     -0.00000
     69      10.1254     -0.00000
     70      10.5443     -0.00000
     71      10.8985     -0.00000
     72      11.2276     -0.00000
     73      11.4295     -0.00000
     74      11.7131      0.00000
     75      12.0220      0.00000
     76      12.6672      0.00000
     77      13.4849      0.00000
     78      13.6003      0.00000
     79      14.1138      0.00000
     80      14.1734      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5849      2.00000
      7     -39.5757      2.00000
      8      -1.1266      2.00000
      9      -0.5280      2.00000
     10       0.1177      2.00000
     11       0.1362      2.00000
     12       0.5145      2.00000
     13       0.5964      2.00000
     14       0.6602      2.00000
     15       0.6985      2.00000
     16       0.8061      2.00000
     17       0.8308      2.00000
     18       0.8549      2.00000
     19       0.9482      2.00000
     20       1.1049      2.00000
     21       1.1457      2.00000
     22       1.1869      2.00000
     23       1.2141      2.00000
     24       1.3279      2.00000
     25       1.3761      2.00000
     26       1.4114      2.00000
     27       1.4535      2.00000
     28       1.5232      2.00000
     29       1.5768      2.00000
     30       1.6997      2.00000
     31       1.7454      2.00000
     32       1.8853      2.00000
     33       1.9265      2.00000
     34       1.9835      2.00000
     35       2.1286      2.00000
     36       2.1734      2.00000
     37       2.2472      2.00000
     38       2.2949      2.00000
     39       2.3602      2.00000
     40       2.4338      2.00000
     41       2.5235      2.00000
     42       2.5799      2.00000
     43       2.6713      2.00000
     44       2.7028      2.00000
     45       2.7782      2.00000
     46       2.8153      2.00000
     47       2.8596      2.00000
     48       2.9175      2.00000
     49       2.9698      2.00000
     50       3.0898      2.00000
     51       3.1312      2.00000
     52       3.2226      2.00000
     53       3.3603      2.00000
     54       3.5228      2.00000
     55       3.7121      2.00000
     56       4.1357      2.00000
     57       4.6062      2.00000
     58       4.9958      2.00000
     59       5.3663      2.00003
     60       5.6902      2.03760
     61       6.0351      0.94922
     62       6.2298     -0.05100
     63       6.7145     -0.00001
     64       7.1879     -0.00000
     65       7.6508     -0.00000
     66       8.7742     -0.00000
     67       8.9227     -0.00000
     68       9.3689     -0.00000
     69      10.4070     -0.00000
     70      10.6135     -0.00000
     71      11.0516     -0.00000
     72      11.6485      0.00000
     73      12.2287      0.00000
     74      12.5092      0.00000
     75      12.8418      0.00000
     76      13.3649      0.00000
     77      13.6015      0.00000
     78      14.0944      0.00000
     79      14.2412      0.00000
     80      14.4926      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5869      2.00000
      7     -39.5736      2.00000
      8      -1.6469      2.00000
      9      -0.8803      2.00000
     10       0.1507      2.00000
     11       0.2689      2.00000
     12       0.3206      2.00000
     13       0.3315      2.00000
     14       0.4113      2.00000
     15       0.6302      2.00000
     16       0.6541      2.00000
     17       0.6755      2.00000
     18       0.7621      2.00000
     19       0.8644      2.00000
     20       0.9454      2.00000
     21       1.0667      2.00000
     22       1.1336      2.00000
     23       1.1885      2.00000
     24       1.2281      2.00000
     25       1.2840      2.00000
     26       1.3865      2.00000
     27       1.4027      2.00000
     28       1.4866      2.00000
     29       1.6004      2.00000
     30       1.7005      2.00000
     31       1.7505      2.00000
     32       1.8527      2.00000
     33       1.8629      2.00000
     34       2.0399      2.00000
     35       2.1682      2.00000
     36       2.1990      2.00000
     37       2.2375      2.00000
     38       2.2700      2.00000
     39       2.3777      2.00000
     40       2.4508      2.00000
     41       2.5205      2.00000
     42       2.6350      2.00000
     43       2.6628      2.00000
     44       2.7892      2.00000
     45       2.8368      2.00000
     46       2.8865      2.00000
     47       2.9612      2.00000
     48       2.9990      2.00000
     49       3.1266      2.00000
     50       3.1939      2.00000
     51       3.2201      2.00000
     52       3.3053      2.00000
     53       3.4902      2.00000
     54       3.7240      2.00000
     55       3.9465      2.00000
     56       3.9710      2.00000
     57       4.2065      2.00000
     58       4.6071      2.00000
     59       5.0758      2.00000
     60       5.6665      2.02790
     61       6.7748     -0.00000
     62       7.3627     -0.00000
     63       7.6815     -0.00000
     64       8.2764     -0.00000
     65       8.4792     -0.00000
     66       8.5729     -0.00000
     67       9.0109     -0.00000
     68       9.2299     -0.00000
     69      11.3566     -0.00000
     70      12.1388      0.00000
     71      12.4413      0.00000
     72      12.6799      0.00000
     73      12.8300      0.00000
     74      13.1361      0.00000
     75      13.2910      0.00000
     76      13.5543      0.00000
     77      13.7212      0.00000
     78      13.7942      0.00000
     79      13.9014      0.00000
     80      14.0857      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9058      2.00000
      2     -39.8988      2.00000
      3     -39.7819      2.00000
      4     -39.6388      2.00000
      5     -39.6383      2.00000
      6     -39.5877      2.00000
      7     -39.5728      2.00000
      8      -1.6507      2.00000
      9      -0.7706      2.00000
     10      -0.5874      2.00000
     11       0.0874      2.00000
     12       0.2751      2.00000
     13       0.3871      2.00000
     14       0.4039      2.00000
     15       0.5606      2.00000
     16       0.6410      2.00000
     17       0.7512      2.00000
     18       0.7517      2.00000
     19       0.8432      2.00000
     20       0.8998      2.00000
     21       0.9319      2.00000
     22       1.0559      2.00000
     23       1.1132      2.00000
     24       1.1411      2.00000
     25       1.2411      2.00000
     26       1.3329      2.00000
     27       1.3638      2.00000
     28       1.4981      2.00000
     29       1.6108      2.00000
     30       1.6247      2.00000
     31       1.7883      2.00000
     32       1.9094      2.00000
     33       1.9166      2.00000
     34       2.1020      2.00000
     35       2.1554      2.00000
     36       2.2334      2.00000
     37       2.3589      2.00000
     38       2.4487      2.00000
     39       2.4730      2.00000
     40       2.4795      2.00000
     41       2.5533      2.00000
     42       2.6267      2.00000
     43       2.6895      2.00000
     44       2.7053      2.00000
     45       2.8253      2.00000
     46       2.8807      2.00000
     47       2.9622      2.00000
     48       2.9862      2.00000
     49       3.1634      2.00000
     50       3.2399      2.00000
     51       3.3267      2.00000
     52       3.3525      2.00000
     53       3.4530      2.00000
     54       3.5431      2.00000
     55       3.7235      2.00000
     56       3.7582      2.00000
     57       3.9977      2.00000
     58       4.2063      2.00000
     59       5.8223      2.05657
     60       7.2726     -0.00000
     61       7.4169     -0.00000
     62       7.4755     -0.00000
     63       7.7710     -0.00000
     64       8.2832     -0.00000
     65       8.7551     -0.00000
     66       9.2954     -0.00000
     67       9.9053     -0.00000
     68      10.5067     -0.00000
     69      10.6705     -0.00000
     70      11.2144     -0.00000
     71      11.2580     -0.00000
     72      11.4375     -0.00000
     73      12.4327      0.00000
     74      12.9828      0.00000
     75      13.1617      0.00000
     76      13.1870      0.00000
     77      13.4183      0.00000
     78      13.8890      0.00000
     79      13.8986      0.00000
     80      14.6140      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9054      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.3823      2.00000
      9      -0.7640      2.00000
     10      -0.3964      2.00000
     11       0.1287      2.00000
     12       0.2026      2.00000
     13       0.4817      2.00000
     14       0.5474      2.00000
     15       0.6366      2.00000
     16       0.6561      2.00000
     17       0.7546      2.00000
     18       0.7697      2.00000
     19       0.9283      2.00000
     20       0.9656      2.00000
     21       1.0016      2.00000
     22       1.0063      2.00000
     23       1.1119      2.00000
     24       1.1763      2.00000
     25       1.1977      2.00000
     26       1.3405      2.00000
     27       1.3628      2.00000
     28       1.5682      2.00000
     29       1.6254      2.00000
     30       1.7377      2.00000
     31       1.7740      2.00000
     32       1.8391      2.00000
     33       1.9728      2.00000
     34       2.0271      2.00000
     35       2.0566      2.00000
     36       2.1589      2.00000
     37       2.2888      2.00000
     38       2.2917      2.00000
     39       2.3708      2.00000
     40       2.5288      2.00000
     41       2.5660      2.00000
     42       2.6542      2.00000
     43       2.7160      2.00000
     44       2.7513      2.00000
     45       2.8089      2.00000
     46       2.9029      2.00000
     47       2.9310      2.00000
     48       3.0218      2.00000
     49       3.1155      2.00000
     50       3.1636      2.00000
     51       3.2352      2.00000
     52       3.3615      2.00000
     53       3.3816      2.00000
     54       3.5748      2.00000
     55       3.7933      2.00000
     56       3.8529      2.00000
     57       3.9970      2.00000
     58       4.2377      2.00000
     59       6.2147     -0.03192
     60       6.5153     -0.00313
     61       7.4025     -0.00000
     62       7.7850     -0.00000
     63       7.9054     -0.00000
     64       8.3689     -0.00000
     65       8.5777     -0.00000
     66       8.8204     -0.00000
     67       8.8569     -0.00000
     68       9.6785     -0.00000
     69      10.2259     -0.00000
     70      10.6421     -0.00000
     71      10.7753     -0.00000
     72      11.1338     -0.00000
     73      11.9331      0.00000
     74      12.3190      0.00000
     75      12.6647      0.00000
     76      13.1854      0.00000
     77      13.6335      0.00000
     78      13.9601      0.00000
     79      14.2863      0.00000
     80      14.6731      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5756      2.00000
      8      -0.8961      2.00000
      9      -0.3739      2.00000
     10      -0.0290      2.00000
     11       0.0729      2.00000
     12       0.4531      2.00000
     13       0.5067      2.00000
     14       0.6084      2.00000
     15       0.7039      2.00000
     16       0.7640      2.00000
     17       0.7701      2.00000
     18       0.8358      2.00000
     19       0.9009      2.00000
     20       1.0104      2.00000
     21       1.0443      2.00000
     22       1.1668      2.00000
     23       1.2470      2.00000
     24       1.2997      2.00000
     25       1.3897      2.00000
     26       1.4267      2.00000
     27       1.5044      2.00000
     28       1.6225      2.00000
     29       1.6693      2.00000
     30       1.7296      2.00000
     31       1.7956      2.00000
     32       1.8476      2.00000
     33       1.9335      2.00000
     34       1.9902      2.00000
     35       2.0396      2.00000
     36       2.0801      2.00000
     37       2.2253      2.00000
     38       2.2638      2.00000
     39       2.3002      2.00000
     40       2.4148      2.00000
     41       2.5637      2.00000
     42       2.6307      2.00000
     43       2.6406      2.00000
     44       2.7186      2.00000
     45       2.7472      2.00000
     46       2.8431      2.00000
     47       2.8812      2.00000
     48       2.9131      2.00000
     49       2.9453      2.00000
     50       3.0466      2.00000
     51       3.1458      2.00000
     52       3.3157      2.00000
     53       3.3524      2.00000
     54       3.4968      2.00000
     55       3.5800      2.00000
     56       3.7641      2.00000
     57       4.4215      2.00000
     58       5.2343      2.00000
     59       5.2968      2.00000
     60       5.9581      1.56066
     61       7.0789     -0.00000
     62       7.1972     -0.00000
     63       7.3514     -0.00000
     64       7.4595     -0.00000
     65       8.1681     -0.00000
     66       8.4152     -0.00000
     67       8.6335     -0.00000
     68       9.0572     -0.00000
     69       9.3321     -0.00000
     70       9.8300     -0.00000
     71      10.7979     -0.00000
     72      11.0040     -0.00000
     73      11.2992     -0.00000
     74      11.6390      0.00000
     75      12.5281      0.00000
     76      13.1197      0.00000
     77      13.4204      0.00000
     78      13.6874      0.00000
     79      13.9428      0.00000
     80      14.1679      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3805      2.00000
      9      -0.0638      2.00000
     10       0.1132      2.00000
     11       0.1674      2.00000
     12       0.4650      2.00000
     13       0.5036      2.00000
     14       0.5600      2.00000
     15       0.6848      2.00000
     16       0.7925      2.00000
     17       0.9201      2.00000
     18       0.9526      2.00000
     19       1.1237      2.00000
     20       1.1773      2.00000
     21       1.2219      2.00000
     22       1.2468      2.00000
     23       1.3386      2.00000
     24       1.4214      2.00000
     25       1.4514      2.00000
     26       1.5008      2.00000
     27       1.5727      2.00000
     28       1.6331      2.00000
     29       1.6711      2.00000
     30       1.7279      2.00000
     31       1.8374      2.00000
     32       1.9194      2.00000
     33       1.9717      2.00000
     34       2.0427      2.00000
     35       2.1168      2.00000
     36       2.1289      2.00000
     37       2.2079      2.00000
     38       2.3055      2.00000
     39       2.3228      2.00000
     40       2.3644      2.00000
     41       2.4768      2.00000
     42       2.5357      2.00000
     43       2.5615      2.00000
     44       2.6375      2.00000
     45       2.7091      2.00000
     46       2.7482      2.00000
     47       2.8247      2.00000
     48       2.8481      2.00000
     49       2.9602      2.00000
     50       3.0851      2.00000
     51       3.1925      2.00000
     52       3.2949      2.00000
     53       3.3539      2.00000
     54       3.4785      2.00000
     55       3.5997      2.00000
     56       3.7971      2.00000
     57       4.0950      2.00000
     58       4.3051      2.00000
     59       5.4772      2.00067
     60       5.8647      1.99079
     61       6.0304      0.98911
     62       6.3401     -0.05030
     63       6.7488     -0.00000
     64       7.1511     -0.00000
     65       7.6324     -0.00000
     66       8.0795     -0.00000
     67       8.3356     -0.00000
     68       8.9216     -0.00000
     69       9.4433     -0.00000
     70      10.2608     -0.00000
     71      10.4464     -0.00000
     72      10.5735     -0.00000
     73      11.3353     -0.00000
     74      11.8588      0.00000
     75      12.1924      0.00000
     76      12.9564      0.00000
     77      13.0394      0.00000
     78      13.7023      0.00000
     79      14.0132      0.00000
     80      14.6629      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5787      2.00000
      8      -0.4368      2.00000
      9      -0.1364      2.00000
     10       0.0593      2.00000
     11       0.1429      2.00000
     12       0.5064      2.00000
     13       0.5410      2.00000
     14       0.6436      2.00000
     15       0.7217      2.00000
     16       0.9065      2.00000
     17       0.9302      2.00000
     18       1.0434      2.00000
     19       1.0877      2.00000
     20       1.1469      2.00000
     21       1.1908      2.00000
     22       1.2641      2.00000
     23       1.3058      2.00000
     24       1.4015      2.00000
     25       1.4265      2.00000
     26       1.4703      2.00000
     27       1.5157      2.00000
     28       1.6679      2.00000
     29       1.7058      2.00000
     30       1.7529      2.00000
     31       1.8051      2.00000
     32       1.8829      2.00000
     33       1.9261      2.00000
     34       2.0121      2.00000
     35       2.0873      2.00000
     36       2.1950      2.00000
     37       2.2205      2.00000
     38       2.2899      2.00000
     39       2.3600      2.00000
     40       2.3792      2.00000
     41       2.4565      2.00000
     42       2.5142      2.00000
     43       2.5617      2.00000
     44       2.6662      2.00000
     45       2.7013      2.00000
     46       2.7519      2.00000
     47       2.8222      2.00000
     48       2.8919      2.00000
     49       2.9175      2.00000
     50       3.1225      2.00000
     51       3.1772      2.00000
     52       3.2627      2.00000
     53       3.4845      2.00000
     54       3.5740      2.00000
     55       3.6124      2.00000
     56       3.9066      2.00000
     57       4.3455      2.00000
     58       4.8672      2.00000
     59       5.0117      2.00000
     60       5.2156      2.00000
     61       5.6235      2.01459
     62       5.8165      2.06099
     63       6.7438     -0.00001
     64       7.1831     -0.00000
     65       7.7224     -0.00000
     66       7.8991     -0.00000
     67       8.7175     -0.00000
     68       9.5082     -0.00000
     69       9.9765     -0.00000
     70      10.1463     -0.00000
     71      10.4915     -0.00000
     72      10.6036     -0.00000
     73      11.1551     -0.00000
     74      11.8303      0.00000
     75      12.2634      0.00000
     76      12.7473      0.00000
     77      13.6148      0.00000
     78      14.0830      0.00000
     79      14.3237      0.00000
     80      14.5145      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0702      2.00000
      9      -0.3551      2.00000
     10      -0.1065      2.00000
     11       0.2802      2.00000
     12       0.4483      2.00000
     13       0.5222      2.00000
     14       0.5547      2.00000
     15       0.6934      2.00000
     16       0.7931      2.00000
     17       0.8517      2.00000
     18       0.9272      2.00000
     19       0.9595      2.00000
     20       1.0594      2.00000
     21       1.0913      2.00000
     22       1.1816      2.00000
     23       1.2279      2.00000
     24       1.2796      2.00000
     25       1.3347      2.00000
     26       1.4254      2.00000
     27       1.4649      2.00000
     28       1.5607      2.00000
     29       1.6202      2.00000
     30       1.7820      2.00000
     31       1.8273      2.00000
     32       1.8555      2.00000
     33       1.9774      2.00000
     34       2.0051      2.00000
     35       2.0612      2.00000
     36       2.1147      2.00000
     37       2.1423      2.00000
     38       2.2173      2.00000
     39       2.3390      2.00000
     40       2.4381      2.00000
     41       2.4779      2.00000
     42       2.6137      2.00000
     43       2.6600      2.00000
     44       2.6913      2.00000
     45       2.7978      2.00000
     46       2.8270      2.00000
     47       2.8803      2.00000
     48       2.9374      2.00000
     49       2.9878      2.00000
     50       3.0923      2.00000
     51       3.1383      2.00000
     52       3.2494      2.00000
     53       3.3298      2.00000
     54       3.4620      2.00000
     55       3.6348      2.00000
     56       4.0868      2.00000
     57       4.2832      2.00000
     58       5.1932      2.00000
     59       5.7594      2.06697
     60       5.9329      1.71885
     61       6.1226      0.29649
     62       6.5572     -0.00121
     63       6.7965     -0.00000
     64       7.2747     -0.00000
     65       7.6748     -0.00000
     66       8.3584     -0.00000
     67       9.3797     -0.00000
     68       9.5393     -0.00000
     69      10.0035     -0.00000
     70      10.2179     -0.00000
     71      11.3490     -0.00000
     72      11.5030      0.00000
     73      11.7991      0.00000
     74      11.9757      0.00000
     75      12.3085      0.00000
     76      12.7868      0.00000
     77      13.3832      0.00000
     78      13.7056      0.00000
     79      13.8532      0.00000
     80      14.2505      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9054      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.5462      2.00000
      9      -0.5393      2.00000
     10      -0.4569      2.00000
     11       0.2202      2.00000
     12       0.2468      2.00000
     13       0.4848      2.00000
     14       0.5337      2.00000
     15       0.6048      2.00000
     16       0.6432      2.00000
     17       0.6830      2.00000
     18       0.8073      2.00000
     19       0.9116      2.00000
     20       0.9564      2.00000
     21       0.9960      2.00000
     22       1.0248      2.00000
     23       1.1278      2.00000
     24       1.1700      2.00000
     25       1.2269      2.00000
     26       1.3986      2.00000
     27       1.4424      2.00000
     28       1.4960      2.00000
     29       1.6059      2.00000
     30       1.6491      2.00000
     31       1.7398      2.00000
     32       1.8777      2.00000
     33       1.8956      2.00000
     34       2.0242      2.00000
     35       2.1143      2.00000
     36       2.2127      2.00000
     37       2.2761      2.00000
     38       2.3566      2.00000
     39       2.3815      2.00000
     40       2.4525      2.00000
     41       2.5968      2.00000
     42       2.6852      2.00000
     43       2.7103      2.00000
     44       2.7463      2.00000
     45       2.8507      2.00000
     46       2.8758      2.00000
     47       2.9038      2.00000
     48       3.0650      2.00000
     49       3.1023      2.00000
     50       3.1785      2.00000
     51       3.2374      2.00000
     52       3.2427      2.00000
     53       3.5442      2.00000
     54       3.6259      2.00000
     55       3.6628      2.00000
     56       3.8542      2.00000
     57       3.9850      2.00000
     58       4.5015      2.00000
     59       5.6805      2.03344
     60       6.3738     -0.03505
     61       6.7206     -0.00001
     62       7.5388     -0.00000
     63       7.9670     -0.00000
     64       8.6916     -0.00000
     65       8.8846     -0.00000
     66       9.2373     -0.00000
     67       9.4054     -0.00000
     68       9.4922     -0.00000
     69       9.8015     -0.00000
     70      10.5517     -0.00000
     71      11.1993     -0.00000
     72      11.5568      0.00000
     73      12.0628      0.00000
     74      12.2649      0.00000
     75      13.0249      0.00000
     76      13.2488      0.00000
     77      13.3164      0.00000
     78      13.8806      0.00000
     79      14.6087      0.00000
     80      14.6951      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9058      2.00000
      2     -39.8988      2.00000
      3     -39.7819      2.00000
      4     -39.6389      2.00000
      5     -39.6382      2.00000
      6     -39.5877      2.00000
      7     -39.5728      2.00000
      8      -1.6001      2.00000
      9      -0.8192      2.00000
     10      -0.5572      2.00000
     11       0.0849      2.00000
     12       0.1593      2.00000
     13       0.3705      2.00000
     14       0.4044      2.00000
     15       0.5608      2.00000
     16       0.6522      2.00000
     17       0.7769      2.00000
     18       0.8002      2.00000
     19       0.8809      2.00000
     20       0.8840      2.00000
     21       0.9307      2.00000
     22       1.0243      2.00000
     23       1.0391      2.00000
     24       1.0848      2.00000
     25       1.2622      2.00000
     26       1.3173      2.00000
     27       1.3875      2.00000
     28       1.4849      2.00000
     29       1.6363      2.00000
     30       1.6789      2.00000
     31       1.7705      2.00000
     32       1.8464      2.00000
     33       1.9667      2.00000
     34       2.0230      2.00000
     35       2.1830      2.00000
     36       2.2140      2.00000
     37       2.3372      2.00000
     38       2.4358      2.00000
     39       2.4728      2.00000
     40       2.4799      2.00000
     41       2.5237      2.00000
     42       2.6378      2.00000
     43       2.6468      2.00000
     44       2.6671      2.00000
     45       2.8391      2.00000
     46       2.8503      2.00000
     47       2.9585      2.00000
     48       2.9614      2.00000
     49       2.9956      2.00000
     50       3.2039      2.00000
     51       3.2619      2.00000
     52       3.4638      2.00000
     53       3.5613      2.00000
     54       3.6612      2.00000
     55       3.9734      2.00000
     56       4.0906      2.00000
     57       4.2197      2.00000
     58       4.6124      2.00000
     59       5.8809      1.94669
     60       6.1619      0.10669
     61       6.6444     -0.00012
     62       7.3815     -0.00000
     63       8.0009     -0.00000
     64       8.2539     -0.00000
     65       8.6891     -0.00000
     66       9.1290     -0.00000
     67       9.1743     -0.00000
     68      10.9609     -0.00000
     69      11.4408     -0.00000
     70      11.6355      0.00000
     71      11.9423      0.00000
     72      12.3336      0.00000
     73      12.6428      0.00000
     74      13.2026      0.00000
     75      13.2175      0.00000
     76      13.3610      0.00000
     77      13.4163      0.00000
     78      13.8395      0.00000
     79      13.8586      0.00000
     80      14.0886      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9054      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6388      2.00000
      5     -39.6382      2.00000
      6     -39.5870      2.00000
      7     -39.5735      2.00000
      8      -1.3449      2.00000
      9      -0.6522      2.00000
     10      -0.5322      2.00000
     11       0.0644      2.00000
     12       0.1982      2.00000
     13       0.4772      2.00000
     14       0.5666      2.00000
     15       0.6356      2.00000
     16       0.6483      2.00000
     17       0.7597      2.00000
     18       0.8011      2.00000
     19       0.9201      2.00000
     20       0.9324      2.00000
     21       0.9622      2.00000
     22       0.9934      2.00000
     23       1.1071      2.00000
     24       1.1362      2.00000
     25       1.1881      2.00000
     26       1.3825      2.00000
     27       1.4391      2.00000
     28       1.6092      2.00000
     29       1.6235      2.00000
     30       1.6865      2.00000
     31       1.7310      2.00000
     32       1.7854      2.00000
     33       1.9436      2.00000
     34       2.0332      2.00000
     35       2.0855      2.00000
     36       2.2016      2.00000
     37       2.2218      2.00000
     38       2.2909      2.00000
     39       2.4656      2.00000
     40       2.4916      2.00000
     41       2.5451      2.00000
     42       2.6479      2.00000
     43       2.6895      2.00000
     44       2.7364      2.00000
     45       2.7594      2.00000
     46       2.8555      2.00000
     47       2.9017      2.00000
     48       2.9968      2.00000
     49       3.0774      2.00000
     50       3.1494      2.00000
     51       3.1743      2.00000
     52       3.3270      2.00000
     53       3.4486      2.00000
     54       3.5316      2.00000
     55       3.7751      2.00000
     56       3.9047      2.00000
     57       5.0411      2.00000
     58       5.1557      2.00000
     59       5.6427      2.01981
     60       6.0497      0.82609
     61       6.8606     -0.00000
     62       7.3629     -0.00000
     63       7.5141     -0.00000
     64       7.7037     -0.00000
     65       8.1256     -0.00000
     66       8.2623     -0.00000
     67       9.9844     -0.00000
     68      10.3788     -0.00000
     69      10.5476     -0.00000
     70      11.0409     -0.00000
     71      11.1724     -0.00000
     72      11.6692      0.00000
     73      12.3479      0.00000
     74      12.4785      0.00000
     75      12.9874      0.00000
     76      13.1873      0.00000
     77      13.6968      0.00000
     78      13.8343      0.00000
     79      14.1215      0.00000
     80      14.3845      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6386      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -0.8875      2.00000
      9      -0.3548      2.00000
     10      -0.0418      2.00000
     11       0.0389      2.00000
     12       0.4814      2.00000
     13       0.5084      2.00000
     14       0.5919      2.00000
     15       0.7081      2.00000
     16       0.7455      2.00000
     17       0.7820      2.00000
     18       0.8399      2.00000
     19       0.8902      2.00000
     20       1.0081      2.00000
     21       1.0348      2.00000
     22       1.1437      2.00000
     23       1.2542      2.00000
     24       1.3481      2.00000
     25       1.3991      2.00000
     26       1.4740      2.00000
     27       1.5267      2.00000
     28       1.5674      2.00000
     29       1.6071      2.00000
     30       1.7611      2.00000
     31       1.8118      2.00000
     32       1.8808      2.00000
     33       1.9203      2.00000
     34       1.9777      2.00000
     35       2.0308      2.00000
     36       2.1342      2.00000
     37       2.1949      2.00000
     38       2.2366      2.00000
     39       2.2673      2.00000
     40       2.3362      2.00000
     41       2.5652      2.00000
     42       2.6163      2.00000
     43       2.6632      2.00000
     44       2.7342      2.00000
     45       2.7427      2.00000
     46       2.8584      2.00000
     47       2.8888      2.00000
     48       2.9273      2.00000
     49       2.9741      2.00000
     50       3.0580      2.00000
     51       3.1475      2.00000
     52       3.2863      2.00000
     53       3.3628      2.00000
     54       3.4242      2.00000
     55       3.5132      2.00000
     56       3.7265      2.00000
     57       4.7023      2.00000
     58       5.4064      2.00010
     59       5.6489      2.02174
     60       5.8499      2.02134
     61       6.7161     -0.00001
     62       6.9572     -0.00000
     63       7.1166     -0.00000
     64       7.2481     -0.00000
     65       8.4968     -0.00000
     66       8.5857     -0.00000
     67       8.7057     -0.00000
     68       8.9025     -0.00000
     69       9.2563     -0.00000
     70       9.6819     -0.00000
     71      10.9258     -0.00000
     72      11.1059     -0.00000
     73      11.3055     -0.00000
     74      11.8397      0.00000
     75      12.7746      0.00000
     76      13.0357      0.00000
     77      13.5337      0.00000
     78      13.7756      0.00000
     79      14.0272      0.00000
     80      14.4094      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3570      2.00000
      9      -0.1108      2.00000
     10       0.1096      2.00000
     11       0.1861      2.00000
     12       0.4729      2.00000
     13       0.5393      2.00000
     14       0.5969      2.00000
     15       0.6513      2.00000
     16       0.7566      2.00000
     17       0.9121      2.00000
     18       0.9593      2.00000
     19       1.0745      2.00000
     20       1.1622      2.00000
     21       1.2024      2.00000
     22       1.2513      2.00000
     23       1.3265      2.00000
     24       1.4064      2.00000
     25       1.4975      2.00000
     26       1.5188      2.00000
     27       1.5510      2.00000
     28       1.6354      2.00000
     29       1.7287      2.00000
     30       1.7511      2.00000
     31       1.8442      2.00000
     32       1.9140      2.00000
     33       1.9810      2.00000
     34       2.0508      2.00000
     35       2.1214      2.00000
     36       2.1862      2.00000
     37       2.2637      2.00000
     38       2.3156      2.00000
     39       2.3283      2.00000
     40       2.3897      2.00000
     41       2.4402      2.00000
     42       2.5338      2.00000
     43       2.5719      2.00000
     44       2.5901      2.00000
     45       2.6466      2.00000
     46       2.7135      2.00000
     47       2.7705      2.00000
     48       2.8177      2.00000
     49       2.9657      2.00000
     50       3.0566      2.00000
     51       3.1502      2.00000
     52       3.1935      2.00000
     53       3.3419      2.00000
     54       3.5448      2.00000
     55       3.6096      2.00000
     56       3.9673      2.00000
     57       4.2018      2.00000
     58       4.4294      2.00000
     59       5.2829      2.00000
     60       5.8435      2.03189
     61       5.9704      1.47331
     62       6.2689     -0.07070
     63       6.4785     -0.00664
     64       7.0000     -0.00000
     65       7.8739     -0.00000
     66       8.0540     -0.00000
     67       8.8384     -0.00000
     68       9.1687     -0.00000
     69       9.7391     -0.00000
     70       9.8549     -0.00000
     71      10.3801     -0.00000
     72      10.5976     -0.00000
     73      10.9942     -0.00000
     74      11.8649      0.00000
     75      12.5049      0.00000
     76      12.6691      0.00000
     77      13.3444      0.00000
     78      13.7504      0.00000
     79      14.3797      0.00000
     80      14.4661      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5787      2.00000
      8      -0.4291      2.00000
      9      -0.1280      2.00000
     10      -0.0042      2.00000
     11       0.1404      2.00000
     12       0.5571      2.00000
     13       0.6006      2.00000
     14       0.6584      2.00000
     15       0.7881      2.00000
     16       0.8115      2.00000
     17       0.9337      2.00000
     18       0.9781      2.00000
     19       1.0582      2.00000
     20       1.1214      2.00000
     21       1.1594      2.00000
     22       1.2512      2.00000
     23       1.3491      2.00000
     24       1.3969      2.00000
     25       1.4168      2.00000
     26       1.4996      2.00000
     27       1.6009      2.00000
     28       1.6797      2.00000
     29       1.7269      2.00000
     30       1.7795      2.00000
     31       1.8332      2.00000
     32       1.8971      2.00000
     33       1.9095      2.00000
     34       2.0116      2.00000
     35       2.1331      2.00000
     36       2.1930      2.00000
     37       2.2279      2.00000
     38       2.2574      2.00000
     39       2.3156      2.00000
     40       2.4027      2.00000
     41       2.4645      2.00000
     42       2.5030      2.00000
     43       2.5608      2.00000
     44       2.6325      2.00000
     45       2.6551      2.00000
     46       2.7382      2.00000
     47       2.7828      2.00000
     48       2.8346      2.00000
     49       2.8862      2.00000
     50       3.1467      2.00000
     51       3.1552      2.00000
     52       3.3558      2.00000
     53       3.4800      2.00000
     54       3.5877      2.00000
     55       3.6182      2.00000
     56       3.7827      2.00000
     57       4.3725      2.00000
     58       4.5703      2.00000
     59       5.1387      2.00000
     60       5.6285      2.01583
     61       5.7583      2.06663
     62       6.4250     -0.01706
     63       6.5111     -0.00343
     64       6.8519     -0.00000
     65       7.0055     -0.00000
     66       7.3914     -0.00000
     67       9.1225     -0.00000
     68       9.3412     -0.00000
     69      10.2705     -0.00000
     70      10.5850     -0.00000
     71      10.9172     -0.00000
     72      11.4571     -0.00000
     73      11.5842      0.00000
     74      11.8576      0.00000
     75      12.2105      0.00000
     76      12.6820      0.00000
     77      12.9611      0.00000
     78      13.1167      0.00000
     79      13.9310      0.00000
     80      14.2591      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0979      2.00000
      9      -0.2993      2.00000
     10      -0.1567      2.00000
     11       0.2437      2.00000
     12       0.4938      2.00000
     13       0.5595      2.00000
     14       0.5870      2.00000
     15       0.6671      2.00000
     16       0.7815      2.00000
     17       0.8668      2.00000
     18       0.9388      2.00000
     19       1.0300      2.00000
     20       1.1012      2.00000
     21       1.1327      2.00000
     22       1.1755      2.00000
     23       1.2004      2.00000
     24       1.2313      2.00000
     25       1.2664      2.00000
     26       1.3659      2.00000
     27       1.4954      2.00000
     28       1.5597      2.00000
     29       1.6501      2.00000
     30       1.6957      2.00000
     31       1.8009      2.00000
     32       1.8496      2.00000
     33       1.9763      2.00000
     34       2.0466      2.00000
     35       2.1101      2.00000
     36       2.1730      2.00000
     37       2.2315      2.00000
     38       2.2525      2.00000
     39       2.3136      2.00000
     40       2.3477      2.00000
     41       2.5374      2.00000
     42       2.6281      2.00000
     43       2.6541      2.00000
     44       2.7265      2.00000
     45       2.7465      2.00000
     46       2.7897      2.00000
     47       2.8299      2.00000
     48       2.9514      2.00000
     49       3.0082      2.00000
     50       3.0764      2.00000
     51       3.1495      2.00000
     52       3.2183      2.00000
     53       3.4374      2.00000
     54       3.4760      2.00000
     55       3.5759      2.00000
     56       3.7291      2.00000
     57       4.5411      2.00000
     58       4.7945      2.00000
     59       5.4107      2.00011
     60       5.9682      1.48962
     61       6.4893     -0.00538
     62       6.8208     -0.00000
     63       7.1157     -0.00000
     64       7.3986     -0.00000
     65       8.0464     -0.00000
     66       8.6779     -0.00000
     67       8.7743     -0.00000
     68       9.3856     -0.00000
     69       9.8587     -0.00000
     70       9.9459     -0.00000
     71      10.6658     -0.00000
     72      11.1881     -0.00000
     73      11.9048      0.00000
     74      12.2252      0.00000
     75      12.6492      0.00000
     76      13.2495      0.00000
     77      13.9900      0.00000
     78      14.0544      0.00000
     79      14.3868      0.00000
     80      14.4415      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9055      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.5368      2.00000
      9      -0.6177      2.00000
     10      -0.3678      2.00000
     11       0.1999      2.00000
     12       0.2435      2.00000
     13       0.4486      2.00000
     14       0.5343      2.00000
     15       0.5977      2.00000
     16       0.6411      2.00000
     17       0.7013      2.00000
     18       0.8184      2.00000
     19       0.9260      2.00000
     20       0.9540      2.00000
     21       0.9929      2.00000
     22       1.0575      2.00000
     23       1.1404      2.00000
     24       1.1679      2.00000
     25       1.2604      2.00000
     26       1.2811      2.00000
     27       1.3933      2.00000
     28       1.6035      2.00000
     29       1.6537      2.00000
     30       1.7190      2.00000
     31       1.7666      2.00000
     32       1.8306      2.00000
     33       1.8745      2.00000
     34       2.0016      2.00000
     35       2.0391      2.00000
     36       2.1301      2.00000
     37       2.3197      2.00000
     38       2.3575      2.00000
     39       2.4568      2.00000
     40       2.5267      2.00000
     41       2.5349      2.00000
     42       2.6141      2.00000
     43       2.6825      2.00000
     44       2.7075      2.00000
     45       2.8053      2.00000
     46       2.8537      2.00000
     47       2.9097      2.00000
     48       3.0622      2.00000
     49       3.1052      2.00000
     50       3.2187      2.00000
     51       3.2445      2.00000
     52       3.3118      2.00000
     53       3.4124      2.00000
     54       3.5984      2.00000
     55       3.8045      2.00000
     56       3.8257      2.00000
     57       3.9908      2.00000
     58       4.7584      2.00000
     59       5.6671      2.02811
     60       6.5580     -0.00118
     61       6.8460     -0.00000
     62       7.4697     -0.00000
     63       7.8619     -0.00000
     64       7.9221     -0.00000
     65       8.4347     -0.00000
     66       9.0572     -0.00000
     67       9.2308     -0.00000
     68      10.0087     -0.00000
     69      10.5017     -0.00000
     70      10.7293     -0.00000
     71      11.1453     -0.00000
     72      11.4874     -0.00000
     73      12.1381      0.00000
     74      12.6683      0.00000
     75      13.0267      0.00000
     76      13.3627      0.00000
     77      13.5182      0.00000
     78      13.9262      0.00000
     79      14.3287      0.00000
     80      14.5417      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9058      2.00000
      2     -39.8988      2.00000
      3     -39.7819      2.00000
      4     -39.6388      2.00000
      5     -39.6382      2.00000
      6     -39.5877      2.00000
      7     -39.5728      2.00000
      8      -1.5951      2.00000
      9      -0.7706      2.00000
     10      -0.6452      2.00000
     11       0.0787      2.00000
     12       0.2023      2.00000
     13       0.3669      2.00000
     14       0.4017      2.00000
     15       0.5778      2.00000
     16       0.6258      2.00000
     17       0.7397      2.00000
     18       0.7971      2.00000
     19       0.8569      2.00000
     20       0.9199      2.00000
     21       0.9366      2.00000
     22       1.0754      2.00000
     23       1.1249      2.00000
     24       1.1603      2.00000
     25       1.2527      2.00000
     26       1.2660      2.00000
     27       1.2779      2.00000
     28       1.4797      2.00000
     29       1.6094      2.00000
     30       1.6291      2.00000
     31       1.7599      2.00000
     32       1.8008      2.00000
     33       1.9237      2.00000
     34       2.1344      2.00000
     35       2.1695      2.00000
     36       2.3550      2.00000
     37       2.3685      2.00000
     38       2.4038      2.00000
     39       2.4455      2.00000
     40       2.4786      2.00000
     41       2.5464      2.00000
     42       2.6423      2.00000
     43       2.6712      2.00000
     44       2.7383      2.00000
     45       2.8093      2.00000
     46       2.8588      2.00000
     47       2.9046      2.00000
     48       2.9597      2.00000
     49       3.0484      2.00000
     50       3.1884      2.00000
     51       3.2335      2.00000
     52       3.4033      2.00000
     53       3.6014      2.00000
     54       3.6504      2.00000
     55       3.9646      2.00000
     56       4.0743      2.00000
     57       4.2381      2.00000
     58       4.4946      2.00000
     59       5.7059      2.04467
     60       6.2490     -0.06525
     61       6.7066     -0.00002
     62       7.5298     -0.00000
     63       7.8870     -0.00000
     64       8.1316     -0.00000
     65       8.8194     -0.00000
     66       9.3810     -0.00000
     67       9.6449     -0.00000
     68      10.7704     -0.00000
     69      10.8950     -0.00000
     70      11.4664     -0.00000
     71      12.0050      0.00000
     72      12.0829      0.00000
     73      12.5333      0.00000
     74      12.9197      0.00000
     75      13.0268      0.00000
     76      13.2955      0.00000
     77      13.4459      0.00000
     78      13.9004      0.00000
     79      14.0457      0.00000
     80      14.3482      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9054      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6387      2.00000
      5     -39.6383      2.00000
      6     -39.5870      2.00000
      7     -39.5735      2.00000
      8      -1.3777      2.00000
      9      -0.7226      2.00000
     10      -0.4573      2.00000
     11       0.1310      2.00000
     12       0.1991      2.00000
     13       0.4896      2.00000
     14       0.5603      2.00000
     15       0.6438      2.00000
     16       0.6485      2.00000
     17       0.7597      2.00000
     18       0.7785      2.00000
     19       0.9390      2.00000
     20       0.9457      2.00000
     21       0.9626      2.00000
     22       0.9924      2.00000
     23       1.1284      2.00000
     24       1.1712      2.00000
     25       1.1926      2.00000
     26       1.3798      2.00000
     27       1.3898      2.00000
     28       1.5243      2.00000
     29       1.6277      2.00000
     30       1.6382      2.00000
     31       1.8068      2.00000
     32       1.8539      2.00000
     33       1.9708      2.00000
     34       1.9967      2.00000
     35       2.1735      2.00000
     36       2.2134      2.00000
     37       2.2344      2.00000
     38       2.2679      2.00000
     39       2.3156      2.00000
     40       2.5500      2.00000
     41       2.5860      2.00000
     42       2.6345      2.00000
     43       2.7055      2.00000
     44       2.7529      2.00000
     45       2.8244      2.00000
     46       2.9075      2.00000
     47       2.9722      2.00000
     48       3.0127      2.00000
     49       3.1209      2.00000
     50       3.1657      2.00000
     51       3.2098      2.00000
     52       3.3195      2.00000
     53       3.4139      2.00000
     54       3.5691      2.00000
     55       3.7548      2.00000
     56       3.9112      2.00000
     57       4.0412      2.00000
     58       4.3095      2.00000
     59       6.2397     -0.05963
     60       6.6729     -0.00005
     61       7.1331     -0.00000
     62       7.3327     -0.00000
     63       8.0137     -0.00000
     64       8.2293     -0.00000
     65       8.3963     -0.00000
     66       8.8060     -0.00000
     67       9.5951     -0.00000
     68       9.8506     -0.00000
     69      10.1528     -0.00000
     70      10.3507     -0.00000
     71      10.8726     -0.00000
     72      11.3540     -0.00000
     73      12.0585      0.00000
     74      12.2239      0.00000
     75      12.6449      0.00000
     76      13.1527      0.00000
     77      13.5543      0.00000
     78      13.7771      0.00000
     79      14.3403      0.00000
     80      14.6320      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6383      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -0.9021      2.00000
      9      -0.4457      2.00000
     10       0.0586      2.00000
     11       0.1079      2.00000
     12       0.4074      2.00000
     13       0.5087      2.00000
     14       0.6567      2.00000
     15       0.6836      2.00000
     16       0.7475      2.00000
     17       0.7894      2.00000
     18       0.8308      2.00000
     19       0.9180      2.00000
     20       1.0295      2.00000
     21       1.0534      2.00000
     22       1.1317      2.00000
     23       1.2415      2.00000
     24       1.2808      2.00000
     25       1.3043      2.00000
     26       1.3896      2.00000
     27       1.4751      2.00000
     28       1.6842      2.00000
     29       1.7116      2.00000
     30       1.7985      2.00000
     31       1.8323      2.00000
     32       1.8650      2.00000
     33       1.9179      2.00000
     34       1.9807      2.00000
     35       2.0086      2.00000
     36       2.0396      2.00000
     37       2.2457      2.00000
     38       2.3072      2.00000
     39       2.3599      2.00000
     40       2.4925      2.00000
     41       2.5313      2.00000
     42       2.5816      2.00000
     43       2.6955      2.00000
     44       2.7147      2.00000
     45       2.7508      2.00000
     46       2.7714      2.00000
     47       2.8693      2.00000
     48       2.8924      2.00000
     49       2.9228      2.00000
     50       3.0862      2.00000
     51       3.1799      2.00000
     52       3.3437      2.00000
     53       3.3565      2.00000
     54       3.5981      2.00000
     55       3.7593      2.00000
     56       3.8336      2.00000
     57       4.0302      2.00000
     58       4.6410      2.00000
     59       4.8268      2.00000
     60       6.5886     -0.00055
     61       7.0594     -0.00000
     62       7.5174     -0.00000
     63       7.6290     -0.00000
     64       7.8477     -0.00000
     65       8.0346     -0.00000
     66       8.7216     -0.00000
     67       8.9251     -0.00000
     68       9.1963     -0.00000
     69       9.5954     -0.00000
     70       9.6227     -0.00000
     71       9.8251     -0.00000
     72      10.1115     -0.00000
     73      11.5060      0.00000
     74      11.8098      0.00000
     75      11.9043      0.00000
     76      13.0226      0.00000
     77      13.3867      0.00000
     78      14.0202      0.00000
     79      14.2564      0.00000
     80      14.6247      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9014      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5821      2.00000
      7     -39.5787      2.00000
      8      -0.3527      2.00000
      9      -0.1121      2.00000
     10       0.1157      2.00000
     11       0.1646      2.00000
     12       0.4267      2.00000
     13       0.5466      2.00000
     14       0.6172      2.00000
     15       0.7052      2.00000
     16       0.7814      2.00000
     17       0.9024      2.00000
     18       0.9471      2.00000
     19       1.0765      2.00000
     20       1.1276      2.00000
     21       1.1923      2.00000
     22       1.2218      2.00000
     23       1.3512      2.00000
     24       1.4018      2.00000
     25       1.4574      2.00000
     26       1.5161      2.00000
     27       1.6691      2.00000
     28       1.7093      2.00000
     29       1.7329      2.00000
     30       1.7477      2.00000
     31       1.8444      2.00000
     32       1.8815      2.00000
     33       1.9443      2.00000
     34       2.0179      2.00000
     35       2.1320      2.00000
     36       2.1723      2.00000
     37       2.2612      2.00000
     38       2.2879      2.00000
     39       2.3575      2.00000
     40       2.4028      2.00000
     41       2.4457      2.00000
     42       2.5373      2.00000
     43       2.5817      2.00000
     44       2.6031      2.00000
     45       2.6512      2.00000
     46       2.6905      2.00000
     47       2.7395      2.00000
     48       2.8008      2.00000
     49       2.8832      2.00000
     50       3.0872      2.00000
     51       3.1355      2.00000
     52       3.1891      2.00000
     53       3.2344      2.00000
     54       3.4990      2.00000
     55       3.6081      2.00000
     56       3.9754      2.00000
     57       4.6361      2.00000
     58       4.7087      2.00000
     59       5.1278      2.00000
     60       5.6616      2.02606
     61       5.7825      2.07090
     62       6.0961      0.46632
     63       6.3892     -0.02880
     64       6.9416     -0.00000
     65       7.6721     -0.00000
     66       8.4700     -0.00000
     67       9.0138     -0.00000
     68       9.3724     -0.00000
     69       9.4876     -0.00000
     70       9.8329     -0.00000
     71      10.6614     -0.00000
     72      11.0528     -0.00000
     73      11.4124     -0.00000
     74      11.7351      0.00000
     75      12.1119      0.00000
     76      12.4520      0.00000
     77      12.7899      0.00000
     78      13.6357      0.00000
     79      13.9791      0.00000
     80      14.1902      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9029      2.00000
      2     -39.9013      2.00000
      3     -39.7812      2.00000
      4     -39.6384      2.00000
      5     -39.6382      2.00000
      6     -39.5820      2.00000
      7     -39.5787      2.00000
      8      -0.4171      2.00000
      9      -0.1773      2.00000
     10       0.0532      2.00000
     11       0.1476      2.00000
     12       0.5381      2.00000
     13       0.5950      2.00000
     14       0.6876      2.00000
     15       0.7512      2.00000
     16       0.8045      2.00000
     17       0.8850      2.00000
     18       0.9624      2.00000
     19       1.0993      2.00000
     20       1.1201      2.00000
     21       1.2115      2.00000
     22       1.2844      2.00000
     23       1.3029      2.00000
     24       1.3748      2.00000
     25       1.4203      2.00000
     26       1.4753      2.00000
     27       1.5611      2.00000
     28       1.6765      2.00000
     29       1.7524      2.00000
     30       1.7834      2.00000
     31       1.8400      2.00000
     32       1.8608      2.00000
     33       1.9690      2.00000
     34       2.0676      2.00000
     35       2.0998      2.00000
     36       2.1410      2.00000
     37       2.2525      2.00000
     38       2.2894      2.00000
     39       2.2946      2.00000
     40       2.4485      2.00000
     41       2.4832      2.00000
     42       2.4857      2.00000
     43       2.5637      2.00000
     44       2.6371      2.00000
     45       2.6591      2.00000
     46       2.7160      2.00000
     47       2.7999      2.00000
     48       2.8141      2.00000
     49       2.8911      2.00000
     50       3.1022      2.00000
     51       3.1795      2.00000
     52       3.2609      2.00000
     53       3.4911      2.00000
     54       3.5712      2.00000
     55       3.6643      2.00000
     56       4.0682      2.00000
     57       4.5189      2.00000
     58       4.5750      2.00000
     59       4.8414      2.00000
     60       5.1775      2.00000
     61       5.6680      2.02846
     62       6.1457      0.17554
     63       6.4129     -0.02058
     64       7.5753     -0.00000
     65       7.7466     -0.00000
     66       8.0451     -0.00000
     67       8.4223     -0.00000
     68       8.9761     -0.00000
     69       9.6580     -0.00000
     70      10.2856     -0.00000
     71      10.4338     -0.00000
     72      11.2903     -0.00000
     73      11.7027      0.00000
     74      12.2926      0.00000
     75      12.5030      0.00000
     76      12.6326      0.00000
     77      13.3962      0.00000
     78      13.6409      0.00000
     79      14.1908      0.00000
     80      14.3362      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9044      2.00000
      2     -39.9000      2.00000
      3     -39.7815      2.00000
      4     -39.6385      2.00000
      5     -39.6382      2.00000
      6     -39.5850      2.00000
      7     -39.5757      2.00000
      8      -1.0360      2.00000
      9      -0.4550      2.00000
     10      -0.0672      2.00000
     11       0.3369      2.00000
     12       0.4530      2.00000
     13       0.5256      2.00000
     14       0.5770      2.00000
     15       0.6558      2.00000
     16       0.7565      2.00000
     17       0.8268      2.00000
     18       0.9293      2.00000
     19       0.9998      2.00000
     20       1.0313      2.00000
     21       1.1055      2.00000
     22       1.1957      2.00000
     23       1.2182      2.00000
     24       1.3242      2.00000
     25       1.3508      2.00000
     26       1.3731      2.00000
     27       1.4500      2.00000
     28       1.5141      2.00000
     29       1.6138      2.00000
     30       1.7788      2.00000
     31       1.8529      2.00000
     32       1.8729      2.00000
     33       1.9384      2.00000
     34       1.9937      2.00000
     35       2.0503      2.00000
     36       2.1315      2.00000
     37       2.2008      2.00000
     38       2.2666      2.00000
     39       2.3386      2.00000
     40       2.4598      2.00000
     41       2.5012      2.00000
     42       2.5167      2.00000
     43       2.6595      2.00000
     44       2.6897      2.00000
     45       2.7732      2.00000
     46       2.8120      2.00000
     47       2.8606      2.00000
     48       2.9392      2.00000
     49       3.0340      2.00000
     50       3.0923      2.00000
     51       3.1600      2.00000
     52       3.2352      2.00000
     53       3.3334      2.00000
     54       3.4976      2.00000
     55       3.6599      2.00000
     56       3.8595      2.00000
     57       4.7721      2.00000
     58       5.2284      2.00000
     59       5.3420      2.00001
     60       5.6100      2.01161
     61       6.3508     -0.04535
     62       6.5491     -0.00146
     63       7.2920     -0.00000
     64       7.3990     -0.00000
     65       7.6867     -0.00000
     66       8.0750     -0.00000
     67       8.8895     -0.00000
     68       9.6622     -0.00000
     69       9.9979     -0.00000
     70      10.5087     -0.00000
     71      10.6925     -0.00000
     72      11.0118     -0.00000
     73      11.3285     -0.00000
     74      12.4996      0.00000
     75      13.0391      0.00000
     76      13.3256      0.00000
     77      13.6146      0.00000
     78      14.1574      0.00000
     79      14.2371      0.00000
     80      14.8739      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9054      2.00000
      2     -39.8991      2.00000
      3     -39.7818      2.00000
      4     -39.6388      2.00000
      5     -39.6382      2.00000
      6     -39.5870      2.00000
      7     -39.5736      2.00000
      8      -1.4745      2.00000
      9      -0.7250      2.00000
     10      -0.3464      2.00000
     11       0.1711      2.00000
     12       0.2301      2.00000
     13       0.4756      2.00000
     14       0.5409      2.00000
     15       0.6201      2.00000
     16       0.6418      2.00000
     17       0.6730      2.00000
     18       0.8327      2.00000
     19       0.8906      2.00000
     20       0.9464      2.00000
     21       0.9883      2.00000
     22       1.0047      2.00000
     23       1.1531      2.00000
     24       1.1890      2.00000
     25       1.2582      2.00000
     26       1.3334      2.00000
     27       1.4445      2.00000
     28       1.5564      2.00000
     29       1.6065      2.00000
     30       1.6258      2.00000
     31       1.7008      2.00000
     32       1.9050      2.00000
     33       1.9729      2.00000
     34       2.0273      2.00000
     35       2.1021      2.00000
     36       2.2053      2.00000
     37       2.2665      2.00000
     38       2.3416      2.00000
     39       2.3610      2.00000
     40       2.4652      2.00000
     41       2.4818      2.00000
     42       2.6398      2.00000
     43       2.6822      2.00000
     44       2.7617      2.00000
     45       2.7849      2.00000
     46       2.8395      2.00000
     47       2.9734      2.00000
     48       3.0008      2.00000
     49       3.1251      2.00000
     50       3.1641      2.00000
     51       3.2080      2.00000
     52       3.3137      2.00000
     53       3.3898      2.00000
     54       3.6228      2.00000
     55       3.7896      2.00000
     56       3.8398      2.00000
     57       4.6358      2.00000
     58       5.1607      2.00000
     59       5.7050      2.04427
     60       6.1354      0.22621
     61       6.4576     -0.00982
     62       6.9335     -0.00000
     63       7.2670     -0.00000
     64       7.9434     -0.00000
     65       8.9133     -0.00000
     66       8.9897     -0.00000
     67       9.2504     -0.00000
     68       9.9873     -0.00000
     69      10.0638     -0.00000
     70      11.7041      0.00000
     71      11.9389      0.00000
     72      12.1273      0.00000
     73      12.2422      0.00000
     74      12.4829      0.00000
     75      12.9111      0.00000
     76      13.3139      0.00000
     77      13.6008      0.00000
     78      13.8309      0.00000
     79      13.9856      0.00000
     80      14.4952      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.162  -0.000  -0.000  -0.003  -0.000  -5.373  -0.000  -0.000
 -0.000  -5.160  -0.003   0.001  -0.001  -0.000  -5.371  -0.003
 -0.000  -0.003  -5.163  -0.001  -0.006  -0.000  -0.003  -5.374
 -0.003   0.001  -0.001  -5.169   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.149  -0.000  -0.001  -0.006
 -5.373  -0.000  -0.000  -0.003  -0.000  -5.566  -0.000  -0.000
 -0.000  -5.371  -0.003   0.001  -0.001  -0.000  -5.564  -0.003
 -0.000  -0.003  -5.374  -0.001  -0.006  -0.000  -0.003  -5.567
 -0.003   0.001  -0.001  -5.379   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.360  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.001  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.021   0.011   0.030   0.010   0.008  -1.169  -0.015  -0.025  -0.042  -0.014   0.020  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.072  -0.267   0.020  -0.191  -0.015  -1.059   0.222  -0.011   0.152  -0.072   0.014  -0.003   0.171   0.008   0.001
  0.030  -0.267   2.649   0.008  -0.309  -0.025   0.222  -0.694  -0.018   0.228   0.084  -0.036  -0.111  -0.021  -0.004   0.006
  0.010   0.020   0.008   2.941   0.015  -0.042  -0.011  -0.018  -1.104  -0.007  -0.020   0.004   0.010   0.004  -0.018  -0.000
  0.008  -0.191  -0.309   0.015   3.077  -0.014   0.152   0.228  -0.007  -1.016  -0.140   0.067   0.047  -0.007   0.019   0.008
 -1.169  -0.015  -0.025  -0.042  -0.014   1.223   0.018   0.021   0.070   0.019  -0.018   0.005   0.012  -0.006  -0.289  -0.000
 -0.015  -1.059   0.222  -0.011   0.152   0.018   0.980  -0.179   0.003  -0.114   0.066  -0.016  -0.006  -0.136  -0.007   0.000
 -0.025   0.222  -0.694  -0.018   0.228   0.021  -0.179   0.677   0.025  -0.158  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.011  -0.018  -1.104  -0.007   0.070   0.003   0.025   1.165   0.001   0.020  -0.006  -0.009  -0.002   0.010   0.000
 -0.014   0.152   0.228  -0.007  -1.016   0.019  -0.114  -0.158   0.001   0.909   0.130  -0.072  -0.050   0.008  -0.015  -0.000
  0.020  -0.072   0.084  -0.020  -0.140  -0.018   0.066  -0.092   0.020   0.130   2.093  -0.311  -0.040   0.002   0.001   0.002
 -0.005   0.014  -0.036   0.004   0.067   0.005  -0.016   0.047  -0.006  -0.072  -0.311   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.003  -0.111   0.010   0.047   0.012  -0.006   0.084  -0.009  -0.050  -0.040   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.007  -0.006  -0.136   0.025  -0.002   0.008   0.002  -0.004   0.007   0.126   0.002  -0.000
  0.357   0.008  -0.004  -0.018   0.019  -0.289  -0.007   0.002   0.010  -0.015   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.001   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.002  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.65: real time    1.66
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.79451   469.79451   469.79451
  Ewald   -2478.84350 -3166.85243 -2717.34011   -23.27774   -21.02515    12.46772
  Hartree   842.71360   350.46030   672.89390   -14.97306    -0.69599     7.78652
  E(xc)    -540.94647  -541.61647  -541.10073    -0.02935    -0.13153     0.01697
  Local    -582.23718   595.81962  -174.27559    37.62939    20.47155   -19.75501
  n-local  -102.97074   -99.73806  -101.69570     0.30444     0.70330    -0.27896
  augment   723.73420   723.19787   723.29460     0.06240     0.14777    -0.05727
  Kinetic  1668.83632  1669.15879  1668.48787     0.24474     0.54633    -0.18665
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.08074     0.22413     0.05874    -0.03918     0.01627    -0.00668
  in kB       0.50308     1.39647     0.36600    -0.24413     0.10137    -0.04159
  external pressure =        0.76 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.15
      direct lattice vectors                 reciprocal lattice vectors
     4.101907474 -0.098829471  0.141807219     0.243421971  0.100556677  0.080698003
    -3.906725504  8.730926236  0.904977677     0.002685262  0.115448215  0.002785410
    -2.323691321 -0.118631911  7.157138140    -0.005162552 -0.016590112  0.137769551

  length of vectors
     4.105547646  9.607838555  7.525838241     0.275459742  0.115513027  0.138860840


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.338E+01 -.155E+03 0.272E+02   0.355E+01 0.158E+03 -.275E+02   -.168E+00 -.283E+01 0.300E+00   0.949E-04 -.153E-03 0.121E-03
   0.336E+01 0.155E+03 -.272E+02   -.353E+01 -.158E+03 0.275E+02   0.168E+00 0.283E+01 -.300E+00   -.790E-04 0.137E-03 -.115E-03
   0.298E+01 0.144E+03 0.683E+01   -.309E+01 -.146E+03 -.665E+01   0.105E+00 0.129E+01 -.171E+00   -.155E-04 -.360E-03 -.416E-03
   -.272E-01 -.659E+02 -.411E+02   0.409E-01 0.656E+02 0.419E+02   -.129E-01 0.344E+00 -.839E+00   0.289E-05 0.952E-03 -.456E-03
   0.598E+01 0.965E+02 -.961E+02   -.605E+01 -.978E+02 0.975E+02   0.767E-01 0.126E+01 -.140E+01   0.223E-03 -.538E-05 -.242E-03
   -.444E-01 0.873E-02 -.155E-01   0.441E-01 -.878E-02 0.157E-01   0.105E-02 -.431E-03 0.375E-04   0.210E-04 -.162E-04 0.108E-04
   -.597E+01 -.966E+02 0.962E+02   0.604E+01 0.979E+02 -.976E+02   -.765E-01 -.126E+01 0.140E+01   -.232E-03 0.219E-04 0.212E-03
   -.294E+01 -.144E+03 -.682E+01   0.304E+01 0.146E+03 0.664E+01   -.106E+00 -.129E+01 0.171E+00   0.641E-06 0.358E-03 0.412E-03
   0.583E-01 0.659E+02 0.410E+02   -.715E-01 -.656E+02 -.419E+02   0.117E-01 -.342E+00 0.840E+00   -.602E-05 -.938E-03 0.483E-03
   0.611E-02 0.208E-01 -.790E-02   -.601E-02 -.207E-01 0.755E-02   -.244E-04 -.427E-03 0.477E-03   -.119E-05 -.109E-05 -.803E-06
   0.894E+00 0.948E+01 -.279E+02   -.900E+00 -.930E+01 0.278E+02   0.592E-02 -.180E+00 0.947E-01   -.756E-05 0.162E-03 -.655E-04
   -.909E+00 -.948E+01 0.279E+02   0.915E+00 0.930E+01 -.278E+02   -.566E-02 0.180E+00 -.948E-01   0.770E-05 -.158E-03 0.672E-04
   0.825E+00 -.850E+01 -.209E+02   -.785E+00 0.854E+01 0.206E+02   -.421E-01 -.492E-01 0.272E+00   0.135E-04 0.131E-03 -.719E-04
   -.158E+01 -.617E+02 0.372E+01   0.158E+01 0.616E+02 -.399E+01   0.210E-02 0.731E-01 0.265E+00   0.397E-05 0.145E-03 0.869E-04
   -.831E+00 0.854E+01 0.209E+02   0.790E+00 -.858E+01 -.206E+02   0.425E-01 0.485E-01 -.272E+00   -.159E-04 -.136E-03 0.732E-04
   0.158E+01 0.617E+02 -.370E+01   -.157E+01 -.616E+02 0.397E+01   -.202E-02 -.733E-01 -.266E+00   -.164E-05 -.144E-03 -.909E-04
 -----------------------------------------------------------------------------------------------
   0.243E-03 -.267E-03 0.402E-04   -.151E-13 -.192E-12 -.320E-13   -.325E-03 0.127E-02 0.180E-03   0.874E-05 -.427E-05 0.813E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06888      6.33711      7.88649        -0.000525     -0.013330     -0.011428
     -2.90733      8.11964      4.51820         0.000871      0.013327      0.011547
     -1.04513      1.14855      4.61905         0.000740      0.002759      0.008107
     -2.89993      5.22378      2.40193         0.000816     -0.000563     -0.007818
      1.19286      1.82870      0.30689         0.003393     -0.000795     -0.001741
     -3.08580      2.91237      5.67898         0.000764     -0.000563      0.000219
     -0.93870      4.01559      4.03581        -0.003403      0.001439      0.000797
     -1.02426      4.57731      6.88058        -0.001558     -0.002826     -0.008167
      3.15421      0.62015      1.94037        -0.001498      0.001121      0.008791
     -5.03898      7.27794      6.13139         0.000081     -0.000394      0.000111
     -0.84676      3.62537      1.25685         0.000128      0.000058     -0.000032
      1.10082      2.21884      3.08578        -0.000093      0.000279     -0.000099
     -0.84583      6.68314      3.44580        -0.001806     -0.005259      0.004638
     -2.99428      5.50607      5.13937        -0.000470      0.006525     -0.002917
     -2.80677      7.89217      1.80177         0.001995      0.004993     -0.004736
      0.92479      0.21981      6.36031         0.000565     -0.006769      0.002728
 -----------------------------------------------------------------------------------
    total drift:                               -0.000073      0.000995      0.000228


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87710983 eV

  energy  without entropy=      -49.88240228  energy(sigma->0) =      -49.87887398
 
 d Force = 0.8852443E-04[ 0.780E-04, 0.991E-04]  d Energy = 0.3719104E-03-0.283E-03
 d Force =-0.6298701E+00[-0.631E+00,-0.628E+00]  d Ewald  =-0.2614736E+01 0.198E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000372  1 .order   -0.000378   -0.000453   -0.000304
  (g-gl).g = 0.738E-03      g.g   = 0.457E-03  gl.gl    = 0.149E-02
 g(Force)  = 0.657E-04   g(Stress)= 0.391E-03 ortho     =-0.114E-04
 gamma     =   0.49401
 trial     =   1.00372
 opt step  =   3.05185  (harmonic =   3.05185) maximal distance =0.00396309
 next E    =   -49.877426   (d E  =  -0.00069)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  144.40: real time  145.06


----------------------------------------- Iteration    8(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   16.63: real time   16.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.37: real time   18.43

 eigenvalue-minimisa     EDDAV:  cpu time   17.83: real time   17.90
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.58: real time   19.66

 eigenvalue-minimisations  :  8064
 total energy-change (2. order) : 0.2470428E-04  (-0.7104938E-05)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0528046 magnetization 

 Broyden mixing:
  rms(total) = 0.96016E-03    rms(broyden)= 0.96014E-03
  rms(prec ) = 0.10966E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3702
  1.9855  0.9477  1.1772

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.32297900
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45809435
  PAW double counting   =      9486.69802090    -9414.66214977
  entropy T*S    EENTRO =         0.00491757
  eigenvalues    EBANDS =      -338.81315337
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy        EDDAV:  cpu time   17.70: real time   17.75
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.45: real time   19.51

 eigenvalue-minimisations  :  7968
 total energy-change (2. order) : 0.7379324E-02  (-0.2077333E-02)
 number of electron     120.0000047     EDDAV:  cpu time   19.15: real time   19.24
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.88: real time   20.99

 eigenvalue-minimisations  :  8864
 total energy-change (2. order) : 0.2731431E-06  (-0.5920954E-06)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0529043 magnetization 

 Broyden mixing:
  rms(total) = 0.62472E-03    rms(broyden)= 0.62470E-03
  rms(prec ) = 0.65858E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5394
  2.2012  2.2012  0.9497  0.8053

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.31949956
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45805275
  PAW double counting   =      9486.62414644    -9414.58863359
  entropy T*S    EENTRO =         0.00491921
  eigenvalues    EBANDS =      -338.81623431
  atomic energy  EATOM  =      9754.20957531
  --------------------------------------------     EDDAV:  cpu time   17.62: real time   17.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.36: real time   19.41

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.1535192E-02  (-0.2083622E-03)
 number of electron     120.0000047 magnetization 
 augment     EDDAV:  cpu time   18.05: real time   18.15
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.08: real time   18.19

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.5192851E-07  (-0.5240516E-07)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0529043 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.32022221
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45813965
  PAW double counting   =      9486.55550755    -9414.52030994
  entropy T*S    EENTRO =         0.00492069
  eigenvalues    EBANDS =      -338.81528474
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87791586 eV

  energy without entropy =      -49.88283655  energy(sigma->0) =      -49.87955609


----------------------------------------- Iteration    8(   4)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.79: real time   17.84
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.54: real time   19.60

 eigenvalue-minimisations  :  8016
 total energy-change (2. order) : 0.4395256E-03  (-0.7706891E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0514741 magnetization 

 Broyden mixing:
  rms(total) = 0.40353E-02    rms(broyden)= 0.40352E-02
  rms(prec ) = 0.44445E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3794
  2.0653  0.9504  1.1226

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.27522137
  Ewald energy   TEWEN  =     -8357.68545011
  -1/2 Hartree   DENC   =     -1869.72678963
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46502614
  PAW double counting   =      9487.29144608    -9415.24441099
  entropy T*S    EENTRO =         0.00518850
  eigenvalues    EBANDS =      -338.46722392
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87741725 eV

  energy without entropy =      -49.88260575  energy(sigma->0) =      -49.87914675
1      2.00000
     24       1.1846      2.00000
     25       1.2180      2.00000
     26       1.2797      2.00000
     27       1.3097      2.00000
     28       1.5791      2.00000
     29       1.6486      2.00000
     30       1.7124      2.00000
     31       1.7392      2.00000
     32       1.7906      2.00000
     33       1.9191      2.00000
     34       1.9391      2.00000
     35       2.1484      2.00000
     36       2.1713      2.00000
     37       2.2755      2.00000
     38       2.3075      2.00000
     39       2.4477      2.00000
     40       2.5272      2.00000
     41       2.5842      2.00000
     42       2.6364      2.00000
     43       2.7255      2.00000
     44       2.8664      2.00000
     45       2.8704      2.00000
     46       2.9038      2.00000
     47       2.9998      2.00000
     48       3.0422      2.00000
     49       3.0974      2.00000
     50       3.1280      2.00000
     51       3.3278      2.00000
     52       3.3801      2.00000
     53       3.5008      2.00000
     54       3.5825      2.00000
     55       3.8944      2.00000
     56       4.0705      2.00000
     57       4.2279      2.00000
     58       4.2295      2.00000
     59       4.9543      2.00000
     60       5.6173      2.01575
     61       6.2847     -0.06785
     62       8.1820     -0.00000
     63       8.2900     -0.00000
     64       8.3223     -0.00000
     65       8.9329     -0.00000
     66       9.6699     -0.00000
     67      10.3857     -0.00000
     68      10.7350     -0.00000
     69      11.4858      0.00000
     70      11.7638      0.00000
     71      11.8276      0.00000
     72      12.0511      0.00000
     73      12.2697      0.00000
     74      12.3410      0.00000
     75      12.5196      0.00000
     76      12.7974      0.00000
     77      13.2900      0.00000
     78      13.6655      0.00000
     79      13.7857      0.00000
     80      14.6384      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6746      2.00000
      9      -0.5758      2.00000
     10      -0.2751      2.00000
     11       0.2592      2.00000
     12       0.2781      2.00000
     13       0.3852      2.00000
     14       0.4620      2.00000
     15       0.5970      2.00000
     16       0.6100      2.00000
     17       0.7288      2.00000
     18       0.8218      2.00000
     19       0.9071      2.00000
     20       0.9321      2.00000
     21       0.9732      2.00000
     22       1.0972      2.00000
     23       1.1161      2.00000
     24       1.1958      2.00000
     25       1.2460      2.00000
     26       1.3466      2.00000
     27       1.3800      2.00000
     28       1.4934      2.00000
     29       1.6265      2.00000
     30       1.6593      2.00000
     31       1.7501      2.00000
     32       1.8202      2.00000
     33       1.8538      2.00000
     34       2.0079      2.00000
     35       2.0346      2.00000
     36       2.1714      2.00000
     37       2.2501      2.00000
     38       2.3594      2.00000
     39       2.4539      2.00000
     40       2.5027      2.00000
     41       2.5632      2.00000
     42       2.6042      2.00000
     43       2.6825      2.00000
     44       2.7331      2.00000
     45       2.8015      2.00000
     46       2.8202      2.00000
     47       2.9220      2.00000
     48       3.0503      2.00000
     49       3.1107      2.00000
     50       3.1937      2.00000
     51       3.2365      2.00000
     52       3.2675      2.00000
     53       3.4161      2.00000
     54       3.6145      2.00000
     55       3.7133      2.00000
     56       3.8486      2.00000
     57       4.0941      2.00000
     58       4.5817      2.00000
     59       5.5151      2.00216
     60       6.2812     -0.06871
     61       6.7923     -0.00000
     62       7.0968     -0.00000
     63       7.7161     -0.00000
     64       8.1555     -0.00000
     65       8.5826     -0.00000
     66       8.7192     -0.00000
     67       9.6343     -0.00000
     68      10.2956     -0.00000
     69      10.6186     -0.00000
     70      10.6596     -0.00000
     71      11.1312     -0.00000
     72      11.7185      0.00000
     73      12.5555      0.00000
     74      12.9480      0.00000
     75      13.2251      0.00000
     76      13.2943      0.00000
     77      13.4797      0.00000
     78      13.8515      0.00000
     79      14.4461      0.00000
     80      14.7162      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0342      2.00000
      9      -0.4141      2.00000
     10      -0.1274      2.00000
     11       0.3189      2.00000
     12       0.4192      2.00000
     13       0.4967      2.00000
     14       0.5836      2.00000
     15       0.6445      2.00000
     16       0.7329      2.00000
     17       0.8377      2.00000
     18       0.9134      2.00000
     19       0.9948      2.00000
     20       1.0408      2.00000
     21       1.0743      2.00000
     22       1.1718      2.00000
     23       1.2270      2.00000
     24       1.2776      2.00000
     25       1.3071      2.00000
     26       1.3554      2.00000
     27       1.4524      2.00000
     28       1.5507      2.00000
     29       1.6036      2.00000
     30       1.7236      2.00000
     31       1.8118      2.00000
     32       1.8568      2.00000
     33       1.9573      2.00000
     34       2.0148      2.00000
     35       2.1091      2.00000
     36       2.1222      2.00000
     37       2.1888      2.00000
     38       2.2529      2.00000
     39       2.3039      2.00000
     40       2.3997      2.00000
     41       2.4890      2.00000
     42       2.5371      2.00000
     43       2.6540      2.00000
     44       2.6934      2.00000
     45       2.7421      2.00000
     46       2.7935      2.00000
     47       2.8375      2.00000
     48       2.9233      2.00000
     49       3.0111      2.00000
     50       3.0971      2.00000
     51       3.1408      2.00000
     52       3.2332      2.00000
     53       3.3595      2.00000
     54       3.4568      2.00000
     55       3.5803      2.00000
     56       3.8192      2.00000
     57       4.6125      2.00000
     58       5.0084      2.00000
     59       5.4429      2.00037
     60       5.7854      2.06969
     61       6.4828     -0.00493
     62       6.8381     -0.00000
     63       6.9856     -0.00000
     64       7.5276     -0.00000
     65       7.9920     -0.00000
     66       8.3446     -0.00000
     67       8.6809     -0.00000
     68       9.4179     -0.00000
     69       9.8046     -0.00000
     70      10.3518     -0.00000
     71      10.4710     -0.00000
     72      10.7887     -0.00000
     73      11.4069     -0.00000
     74      12.1852      0.00000
     75      13.1269      0.00000
     76      13.6984      0.00000
     77      13.7621      0.00000
     78      13.8784      0.00000
     79      14.2807      0.00000
     80      14.6929      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3921      2.00000
      9      -0.1105      2.00000
     10       0.0895      2.00000
     11       0.1610      2.00000
     12       0.4825      2.00000
     13       0.5073      2.00000
     14       0.5584      2.00000
     15       0.6331      2.00000
     16       0.8234      2.00000
     17       0.9162      2.00000
     18       0.9306      2.00000
     19       1.1107      2.00000
     20       1.1680      2.00000
     21       1.1824      2.00000
     22       1.2639      2.00000
     23       1.3689      2.00000
     24       1.3876      2.00000
     25       1.4040      2.00000
     26       1.4767      2.00000
     27       1.5165      2.00000
     28       1.6426      2.00000
     29       1.6818      2.00000
     30       1.7310      2.00000
     31       1.8034      2.00000
     32       1.9104      2.00000
     33       1.9546      2.00000
     34       2.0604      2.00000
     35       2.1455      2.00000
     36       2.1636      2.00000
     37       2.1825      2.00000
     38       2.2771      2.00000
     39       2.3134      2.00000
     40       2.3715      2.00000
     41       2.4620      2.00000
     42       2.4801      2.00000
     43       2.5483      2.00000
     44       2.6382      2.00000
     45       2.6687      2.00000
     46       2.7569      2.00000
     47       2.8011      2.00000
     48       2.8389      2.00000
     49       2.9219      2.00000
     50       3.0586      2.00000
     51       3.1623      2.00000
     52       3.2667      2.00000
     53       3.3623      2.00000
     54       3.5534      2.00000
     55       3.6356      2.00000
     56       3.8253      2.00000
     57       4.1476      2.00000
     58       4.2967      2.00000
     59       5.1360      2.00000
     60       5.8616      1.97129
     61       6.0530      0.71100
     62       6.1745      0.02992
     63       6.8153     -0.00000
     64       7.0780     -0.00000
     65       7.6635     -0.00000
     66       8.2139     -0.00000
     67       8.4844     -0.00000
     68       8.8349     -0.00000
     69       9.4876     -0.00000
     70       9.7756     -0.00000
     71      10.5225     -0.00000
     72      10.9671     -0.00000
     73      11.1280     -0.00000
     74      11.7866      0.00000
     75      12.2772      0.00000
     76      12.7693      0.00000
     77      13.4047      0.00000
     78      13.7783      0.00000
     79      13.9609      0.00000
     80      14.6516      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9167      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6571      2.00000
      6     -39.6143      2.00000
      7     -39.6111      2.00000
      8      -0.4467      2.00000
      9      -0.1801      2.00000
     10       0.0358      2.00000
     11       0.1343      2.00000
     12       0.5024      2.00000
     13       0.5246      2.00000
     14       0.7028      2.00000
     15       0.7387      2.00000
     16       0.8725      2.00000
     17       0.9116      2.00000
     18       0.9884      2.00000
     19       1.0646      2.00000
     20       1.0861      2.00000
     21       1.2379      2.00000
     22       1.2745      2.00000
     23       1.3262      2.00000
     24       1.3835      2.00000
     25       1.3930      2.00000
     26       1.4451      2.00000
     27       1.4933      2.00000
     28       1.6666      2.00000
     29       1.6982      2.00000
     30       1.7438      2.00000
     31       1.8005      2.00000
     32       1.8790      2.00000
     33       1.9039      2.00000
     34       2.0432      2.00000
     35       2.0826      2.00000
     36       2.1444      2.00000
     37       2.1619      2.00000
     38       2.2295      2.00000
     39       2.3380      2.00000
     40       2.4396      2.00000
     41       2.4634      2.00000
     42       2.5409      2.00000
     43       2.5819      2.00000
     44       2.6259      2.00000
     45       2.6737      2.00000
     46       2.7307      2.00000
     47       2.8086      2.00000
     48       2.8465      2.00000
     49       2.9072      2.00000
     50       3.0965      2.00000
     51       3.1799      2.00000
     52       3.2046      2.00000
     53       3.5177      2.00000
     54       3.5497      2.00000
     55       3.7411      2.00000
     56       4.2021      2.00000
     57       4.3917      2.00000
     58       4.5646      2.00000
     59       4.7222      2.00000
     60       5.1851      2.00000
     61       5.6198      2.01639
     62       6.0825      0.48602
     63       6.1008      0.36300
     64       7.1054     -0.00000
     65       8.2597     -0.00000
     66       8.3931     -0.00000
     67       8.9074     -0.00000
     68       9.1481     -0.00000
     69       9.2515     -0.00000
     70       9.9634     -0.00000
     71      10.4688     -0.00000
     72      10.5988     -0.00000
     73      11.3562     -0.00000
     74      11.9279      0.00000
     75      12.5791      0.00000
     76      13.1456      0.00000
     77      13.5137      0.00000
     78      13.8788      0.00000
     79      14.1294      0.00000
     80      14.4494      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6172      2.00000
      7     -39.6080      2.00000
      8      -1.1644      2.00000
      9      -0.4823      2.00000
     10       0.0227      2.00000
     11       0.1454      2.00000
     12       0.5181      2.00000
     13       0.5855      2.00000
     14       0.6481      2.00000
     15       0.6853      2.00000
     16       0.8190      2.00000
     17       0.8335      2.00000
     18       0.8688      2.00000
     19       0.9559      2.00000
     20       1.0866      2.00000
     21       1.1258      2.00000
     22       1.1865      2.00000
     23       1.2070      2.00000
     24       1.3025      2.00000
     25       1.3366      2.00000
     26       1.3933      2.00000
     27       1.4439      2.00000
     28       1.4734      2.00000
     29       1.6354      2.00000
     30       1.7350      2.00000
     31       1.7620      2.00000
     32       1.8391      2.00000
     33       1.8987      2.00000
     34       1.9595      2.00000
     35       2.0557      2.00000
     36       2.1581      2.00000
     37       2.2253      2.00000
     38       2.2937      2.00000
     39       2.3619      2.00000
     40       2.4411      2.00000
     41       2.5173      2.00000
     42       2.5548      2.00000
     43       2.6022      2.00000
     44       2.6571      2.00000
     45       2.7673      2.00000
     46       2.7905      2.00000
     47       2.8751      2.00000
     48       2.8876      2.00000
     49       3.0463      2.00000
     50       3.0884      2.00000
     51       3.1354      2.00000
     52       3.2062      2.00000
     53       3.3152      2.00000
     54       3.5302      2.00000
     55       3.6985      2.00000
     56       4.0979      2.00000
     57       4.4552      2.00000
     58       4.8463      2.00000
     59       5.4954      2.00137
     60       5.7040      2.04881
     61       6.0806      0.49965
     62       6.3602     -0.03623
     63       6.9665     -0.00000
     64       7.1820     -0.00000
     65       7.5819     -0.00000
     66       8.2274     -0.00000
     67       8.9725     -0.00000
     68       9.2489     -0.00000
     69      10.2408     -0.00000
     70      11.0445     -0.00000
     71      11.3079     -0.00000
     72      11.6834      0.00000
     73      12.1241      0.00000
     74      12.3694      0.00000
     75      12.7908      0.00000
     76      13.4244      0.00000
     77      13.6297      0.00000
     78      13.8954      0.00000
     79      14.2911      0.00000
     80      14.4089      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.7585      2.00000
      9      -0.6388      2.00000
     10       0.0393      2.00000
     11       0.1782      2.00000
     12       0.3278      2.00000
     13       0.3354      2.00000
     14       0.4023      2.00000
     15       0.6241      2.00000
     16       0.6416      2.00000
     17       0.7305      2.00000
     18       0.8093      2.00000
     19       0.8828      2.00000
     20       0.9058      2.00000
     21       1.0598      2.00000
     22       1.0636      2.00000
     23       1.1498      2.00000
     24       1.2157      2.00000
     25       1.2747      2.00000
     26       1.2988      2.00000
     27       1.3297      2.00000
     28       1.4604      2.00000
     29       1.6626      2.00000
     30       1.6800      2.00000
     31       1.7679      2.00000
     32       1.8280      2.00000
     33       1.9014      2.00000
     34       1.9210      2.00000
     35       2.0752      2.00000
     36       2.1528      2.00000
     37       2.2842      2.00000
     38       2.3340      2.00000
     39       2.3812      2.00000
     40       2.4822      2.00000
     41       2.5183      2.00000
     42       2.6186      2.00000
     43       2.7386      2.00000
     44       2.7944      2.00000
     45       2.8253      2.00000
     46       2.8691      2.00000
     47       2.9318      2.00000
     48       3.0215      2.00000
     49       3.0879      2.00000
     50       3.1235      2.00000
     51       3.2066      2.00000
     52       3.2645      2.00000
     53       3.4346      2.00000
     54       3.6774      2.00000
     55       3.7915      2.00000
     56       3.9464      2.00000
     57       4.1208      2.00000
     58       4.8600      2.00000
     59       5.0406      2.00000
     60       5.5599      2.00558
     61       6.7276     -0.00001
     62       7.1750     -0.00000
     63       7.7275     -0.00000
     64       8.2265     -0.00000
     65       8.6890     -0.00000
     66       8.9765     -0.00000
     67       9.3888     -0.00000
     68      10.1917     -0.00000
     69      10.7681     -0.00000
     70      10.8330     -0.00000
     71      11.4140     -0.00000
     72      12.4704      0.00000
     73      12.8930      0.00000
     74      13.0671      0.00000
     75      13.2586      0.00000
     76      13.4418      0.00000
     77      13.8037      0.00000
     78      13.8761      0.00000
     79      14.3093      0.00000
     80      14.4221      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6577      2.00000
      5     -39.6572      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.8666      2.00000
      9      -0.8996      2.00000
     10      -0.0352      2.00000
     11       0.1599      2.00000
     12       0.2090      2.00000
     13       0.2927      2.00000
     14       0.4253      2.00000
     15       0.5771      2.00000
     16       0.6073      2.00000
     17       0.6200      2.00000
     18       0.6847      2.00000
     19       0.7697      2.00000
     20       0.8423      2.00000
     21       0.9342      2.00000
     22       1.0358      2.00000
     23       1.0774      2.00000
     24       1.2469      2.00000
     25       1.2947      2.00000
     26       1.3908      2.00000
     27       1.4127      2.00000
     28       1.5878      2.00000
     29       1.6050      2.00000
     30       1.6469      2.00000
     31       1.7028      2.00000
     32       1.8017      2.00000
     33       1.8815      2.00000
     34       1.9422      2.00000
     35       2.1674      2.00000
     36       2.2192      2.00000
     37       2.2321      2.00000
     38       2.2930      2.00000
     39       2.4406      2.00000
     40       2.4980      2.00000
     41       2.6190      2.00000
     42       2.6580      2.00000
     43       2.6648      2.00000
     44       2.8184      2.00000
     45       2.8380      2.00000
     46       2.8834      2.00000
     47       2.9048      2.00000
     48       3.0567      2.00000
     49       3.1056      2.00000
     50       3.1445      2.00000
     51       3.3200      2.00000
     52       3.3614      2.00000
     53       3.4569      2.00000
     54       3.6311      2.00000
     55       3.9580      2.00000
     56       4.2182      2.00000
     57       4.2297      2.00000
     58       4.3430      2.00000
     59       4.8965      2.00000
     60       6.2800     -0.06897
     61       6.4982     -0.00358
     62       6.9209     -0.00000
     63       7.1824     -0.00000
     64       8.8179     -0.00000
     65       9.5482     -0.00000
     66       9.7131     -0.00000
     67       9.8955     -0.00000
     68      10.9879     -0.00000
     69      11.2002     -0.00000
     70      11.2898     -0.00000
     71      11.4511     -0.00000
     72      12.3099      0.00000
     73      12.6860      0.00000
     74      13.1297      0.00000
     75      13.3878      0.00000
     76      13.5224      0.00000
     77      13.8239      0.00000
     78      13.9896      0.00000
     79      14.2727      0.00000
     80      14.5313      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.5861      2.00000
      9      -0.8189      2.00000
     10      -0.1513      2.00000
     11       0.2243      2.00000
     12       0.2619      2.00000
     13       0.4215      2.00000
     14       0.4991      2.00000
     15       0.5729      2.00000
     16       0.6159      2.00000
     17       0.6858      2.00000
     18       0.7840      2.00000
     19       0.8833      2.00000
     20       0.9547      2.00000
     21       0.9817      2.00000
     22       1.0491      2.00000
     23       1.1543      2.00000
     24       1.2124      2.00000
     25       1.2924      2.00000
     26       1.3646      2.00000
     27       1.3999      2.00000
     28       1.5256      2.00000
     29       1.5611      2.00000
     30       1.6158      2.00000
     31       1.6687      2.00000
     32       1.8868      2.00000
     33       1.9656      2.00000
     34       2.0161      2.00000
     35       2.1585      2.00000
     36       2.1834      2.00000
     37       2.2655      2.00000
     38       2.3142      2.00000
     39       2.3621      2.00000
     40       2.3874      2.00000
     41       2.4472      2.00000
     42       2.6540      2.00000
     43       2.6690      2.00000
     44       2.7699      2.00000
     45       2.7884      2.00000
     46       2.8372      2.00000
     47       2.9797      2.00000
     48       3.0084      2.00000
     49       3.1140      2.00000
     50       3.1765      2.00000
     51       3.1840      2.00000
     52       3.3035      2.00000
     53       3.4557      2.00000
     54       3.6460      2.00000
     55       3.6988      2.00000
     56       3.8885      2.00000
     57       4.4310      2.00000
     58       4.8986      2.00000
     59       5.5435      2.00400
     60       5.8551      1.98785
     61       6.4998     -0.00346
     62       7.0442     -0.00000
     63       7.5195     -0.00000
     64       8.0690     -0.00000
     65       8.3041     -0.00000
     66       8.9184     -0.00000
     67       9.4054     -0.00000
     68       9.6687     -0.00000
     69      10.4565     -0.00000
     70      12.0066      0.00000
     71      12.3023      0.00000
     72      12.3944      0.00000
     73      12.5573      0.00000
     74      12.7185      0.00000
     75      12.8401      0.00000
     76      13.3239      0.00000
     77      13.6020      0.00000
     78      13.9229      0.00000
     79      14.0047      0.00000
     80      14.4110      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0296      2.00000
      9      -0.3882      2.00000
     10      -0.1365      2.00000
     11       0.3186      2.00000
     12       0.3942      2.00000
     13       0.4924      2.00000
     14       0.5294      2.00000
     15       0.6700      2.00000
     16       0.7782      2.00000
     17       0.8109      2.00000
     18       0.9294      2.00000
     19       0.9382      2.00000
     20       1.0264      2.00000
     21       1.0707      2.00000
     22       1.1590      2.00000
     23       1.2145      2.00000
     24       1.3015      2.00000
     25       1.3485      2.00000
     26       1.4083      2.00000
     27       1.4745      2.00000
     28       1.5443      2.00000
     29       1.6094      2.00000
     30       1.7506      2.00000
     31       1.8213      2.00000
     32       1.8842      2.00000
     33       1.9209      2.00000
     34       1.9857      2.00000
     35       2.0404      2.00000
     36       2.0804      2.00000
     37       2.1340      2.00000
     38       2.2103      2.00000
     39       2.3107      2.00000
     40       2.4627      2.00000
     41       2.5000      2.00000
     42       2.5613      2.00000
     43       2.6215      2.00000
     44       2.6806      2.00000
     45       2.7939      2.00000
     46       2.8193      2.00000
     47       2.8718      2.00000
     48       2.9179      2.00000
     49       2.9694      2.00000
     50       3.0808      2.00000
     51       3.1679      2.00000
     52       3.2443      2.00000
     53       3.2805      2.00000
     54       3.4663      2.00000
     55       3.6052      2.00000
     56       4.0079      2.00000
     57       4.4749      2.00000
     58       5.2515      2.00000
     59       5.6778      2.03690
     60       5.8986      1.83838
     61       6.2899     -0.06636
     62       6.5192     -0.00226
     63       6.6957     -0.00002
     64       7.4391     -0.00000
     65       7.6867     -0.00000
     66       8.1048     -0.00000
     67       9.1333     -0.00000
     68       9.8310     -0.00000
     69       9.9401     -0.00000
     70      10.1140     -0.00000
     71      11.0994     -0.00000
     72      11.1841     -0.00000
     73      11.7606      0.00000
     74      12.0748      0.00000
     75      12.4183      0.00000
     76      12.7644      0.00000
     77      13.2887      0.00000
     78      13.6698      0.00000
     79      14.0609      0.00000
     80      14.4109      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3925      2.00000
      9      -0.0884      2.00000
     10       0.0687      2.00000
     11       0.1419      2.00000
     12       0.4141      2.00000
     13       0.5150      2.00000
     14       0.6015      2.00000
     15       0.7107      2.00000
     16       0.8494      2.00000
     17       0.9004      2.00000
     18       0.9116      2.00000
     19       1.0928      2.00000
     20       1.1495      2.00000
     21       1.1788      2.00000
     22       1.2434      2.00000
     23       1.3127      2.00000
     24       1.3983      2.00000
     25       1.4582      2.00000
     26       1.4902      2.00000
     27       1.5927      2.00000
     28       1.6653      2.00000
     29       1.7084      2.00000
     30       1.7279      2.00000
     31       1.8322      2.00000
     32       1.8772      2.00000
     33       1.9566      2.00000
     34       1.9784      2.00000
     35       2.0704      2.00000
     36       2.1200      2.00000
     37       2.2326      2.00000
     38       2.2988      2.00000
     39       2.3443      2.00000
     40       2.3881      2.00000
     41       2.4541      2.00000
     42       2.5098      2.00000
     43       2.5232      2.00000
     44       2.6227      2.00000
     45       2.6880      2.00000
     46       2.7294      2.00000
     47       2.7913      2.00000
     48       2.8417      2.00000
     49       2.8681      2.00000
     50       3.0665      2.00000
     51       3.1376      2.00000
     52       3.2671      2.00000
     53       3.3225      2.00000
     54       3.4778      2.00000
     55       3.5847      2.00000
     56       3.7318      2.00000
     57       4.4111      2.00000
     58       4.7761      2.00000
     59       5.1269      2.00000
     60       5.6581      2.02880
     61       5.9476      1.55851
     62       6.2057     -0.03467
     63       6.5137     -0.00256
     64       6.7316     -0.00001
     65       7.7431     -0.00000
     66       8.0482     -0.00000
     67       8.5056     -0.00000
     68       9.3120     -0.00000
     69       9.7487     -0.00000
     70      10.1715     -0.00000
     71      10.8631     -0.00000
     72      10.9719     -0.00000
     73      11.3738     -0.00000
     74      11.5810      0.00000
     75      12.1170      0.00000
     76      12.4533      0.00000
     77      13.1304      0.00000
     78      13.4210      0.00000
     79      14.0181      0.00000
     80      14.2843      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4434      2.00000
      9      -0.1566      2.00000
     10      -0.0401      2.00000
     11       0.1338      2.00000
     12       0.5459      2.00000
     13       0.6626      2.00000
     14       0.6974      2.00000
     15       0.7259      2.00000
     16       0.7958      2.00000
     17       0.8804      2.00000
     18       0.9517      2.00000
     19       1.0782      2.00000
     20       1.1030      2.00000
     21       1.1357      2.00000
     22       1.2597      2.00000
     23       1.3333      2.00000
     24       1.3647      2.00000
     25       1.3898      2.00000
     26       1.5399      2.00000
     27       1.5846      2.00000
     28       1.6669      2.00000
     29       1.7112      2.00000
     30       1.7591      2.00000
     31       1.8143      2.00000
     32       1.8523      2.00000
     33       1.9571      2.00000
     34       2.0001      2.00000
     35       2.0888      2.00000
     36       2.1599      2.00000
     37       2.2370      2.00000
     38       2.3251      2.00000
     39       2.3368      2.00000
     40       2.4455      2.00000
     41       2.4660      2.00000
     42       2.4912      2.00000
     43       2.5165      2.00000
     44       2.5612      2.00000
     45       2.5787      2.00000
     46       2.7191      2.00000
     47       2.7575      2.00000
     48       2.8091      2.00000
     49       2.8788      2.00000
     50       3.1232      2.00000
     51       3.1605      2.00000
     52       3.2849      2.00000
     53       3.5081      2.00000
     54       3.5703      2.00000
     55       3.6428      2.00000
     56       4.0700      2.00000
     57       4.4072      2.00000
     58       4.5169      2.00000
     59       5.0011      2.00000
     60       5.1451      2.00000
     61       5.8126      2.05560
     62       6.1413      0.14633
     63       6.5090     -0.00284
     64       7.1516     -0.00000
     65       7.2533     -0.00000
     66       7.7697     -0.00000
     67       8.3320     -0.00000
     68       9.5416     -0.00000
     69       9.9767     -0.00000
     70      10.5739     -0.00000
     71      10.9922     -0.00000
     72      11.2529     -0.00000
     73      11.7927      0.00000
     74      12.0325      0.00000
     75      12.2667      0.00000
     76      12.8781      0.00000
     77      13.1345      0.00000
     78      13.3257      0.00000
     79      14.1303      0.00000
     80      14.3327      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6572      2.00000
      5     -39.6572      2.00000
      6     -39.6173      2.00000
      7     -39.6080      2.00000
      8      -1.2100      2.00000
      9      -0.3475      2.00000
     10      -0.0791      2.00000
     11       0.1043      2.00000
     12       0.5462      2.00000
     13       0.5701      2.00000
     14       0.6358      2.00000
     15       0.7096      2.00000
     16       0.8418      2.00000
     17       0.8758      2.00000
     18       0.9420      2.00000
     19       1.0000      2.00000
     20       1.0817      2.00000
     21       1.1066      2.00000
     22       1.1714      2.00000
     23       1.2443      2.00000
     24       1.2606      2.00000
     25       1.3164      2.00000
     26       1.3833      2.00000
     27       1.3897      2.00000
     28       1.5509      2.00000
     29       1.6742      2.00000
     30       1.6977      2.00000
     31       1.8128      2.00000
     32       1.8798      2.00000
     33       1.9251      2.00000
     34       2.0029      2.00000
     35       2.0220      2.00000
     36       2.0519      2.00000
     37       2.1560      2.00000
     38       2.2033      2.00000
     39       2.3978      2.00000
     40       2.4369      2.00000
     41       2.4887      2.00000
     42       2.5367      2.00000
     43       2.6163      2.00000
     44       2.6596      2.00000
     45       2.7658      2.00000
     46       2.8530      2.00000
     47       2.8820      2.00000
     48       2.9149      2.00000
     49       3.0185      2.00000
     50       3.0517      2.00000
     51       3.0994      2.00000
     52       3.1890      2.00000
     53       3.2805      2.00000
     54       3.5270      2.00000
     55       3.6498      2.00000
     56       4.0034      2.00000
     57       4.3324      2.00000
     58       5.3237      2.00001
     59       5.4716      2.00077
     60       5.6624      2.03050
     61       5.8377      2.02367
     62       6.6289     -0.00014
     63       6.9570     -0.00000
     64       7.4585     -0.00000
     65       7.8314     -0.00000
     66       7.8965     -0.00000
     67       8.4552     -0.00000
     68       9.6870     -0.00000
     69       9.9851     -0.00000
     70      10.4215     -0.00000
     71      11.7515      0.00000
     72      12.2386      0.00000
     73      12.5543      0.00000
     74      12.8792      0.00000
     75      13.0815      0.00000
     76      13.3945      0.00000
     77      13.4502      0.00000
     78      13.5357      0.00000
     79      13.8839      0.00000
     80      14.0985      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.7458      2.00000
      9      -0.6734      2.00000
     10       0.0089      2.00000
     11       0.2315      2.00000
     12       0.3176      2.00000
     13       0.3383      2.00000
     14       0.4018      2.00000
     15       0.6250      2.00000
     16       0.6376      2.00000
     17       0.7155      2.00000
     18       0.8074      2.00000
     19       0.8735      2.00000
     20       0.9533      2.00000
     21       1.0175      2.00000
     22       1.0844      2.00000
     23       1.1518      2.00000
     24       1.2267      2.00000
     25       1.2568      2.00000
     26       1.3320      2.00000
     27       1.3954      2.00000
     28       1.4366      2.00000
     29       1.6022      2.00000
     30       1.6777      2.00000
     31       1.7222      2.00000
     32       1.8216      2.00000
     33       1.8740      2.00000
     34       1.9543      2.00000
     35       2.1306      2.00000
     36       2.1904      2.00000
     37       2.2568      2.00000
     38       2.3074      2.00000
     39       2.3957      2.00000
     40       2.5125      2.00000
     41       2.5349      2.00000
     42       2.6091      2.00000
     43       2.7215      2.00000
     44       2.7574      2.00000
     45       2.7994      2.00000
     46       2.8794      2.00000
     47       2.9621      2.00000
     48       2.9945      2.00000
     49       3.1164      2.00000
     50       3.1555      2.00000
     51       3.2065      2.00000
     52       3.2841      2.00000
     53       3.4310      2.00000
     54       3.6287      2.00000
     55       3.7784      2.00000
     56       3.9509      2.00000
     57       4.1527      2.00000
     58       4.5054      2.00000
     59       5.2806      2.00000
     60       6.0586      0.66638
     61       6.5828     -0.00049
     62       6.9930     -0.00000
     63       7.7937     -0.00000
     64       8.0687     -0.00000
     65       8.3178     -0.00000
     66       8.7163     -0.00000
     67       9.6816     -0.00000
     68      10.4538     -0.00000
     69      10.9109     -0.00000
     70      11.0375     -0.00000
     71      11.3025     -0.00000
     72      12.4980      0.00000
     73      12.8791      0.00000
     74      13.0359      0.00000
     75      13.1570      0.00000
     76      13.4991      0.00000
     77      13.5846      0.00000
     78      13.9401      0.00000
     79      14.3466      0.00000
     80      14.4734      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9141      2.00000
      3     -39.7813      2.00000
      4     -39.6576      2.00000
      5     -39.6572      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.8588      2.00000
      9      -0.9365      2.00000
     10       0.0351      2.00000
     11       0.1672      2.00000
     12       0.2057      2.00000
     13       0.2871      2.00000
     14       0.4184      2.00000
     15       0.5887      2.00000
     16       0.6098      2.00000
     17       0.6187      2.00000
     18       0.6881      2.00000
     19       0.7194      2.00000
     20       0.8370      2.00000
     21       0.9482      2.00000
     22       1.0860      2.00000
     23       1.1006      2.00000
     24       1.1975      2.00000
     25       1.2670      2.00000
     26       1.3486      2.00000
     27       1.3594      2.00000
     28       1.5505      2.00000
     29       1.6472      2.00000
     30       1.6891      2.00000
     31       1.7084      2.00000
     32       1.7970      2.00000
     33       1.8656      2.00000
     34       1.8953      2.00000
     35       2.1210      2.00000
     36       2.2160      2.00000
     37       2.2516      2.00000
     38       2.3863      2.00000
     39       2.4322      2.00000
     40       2.5251      2.00000
     41       2.5901      2.00000
     42       2.6195      2.00000
     43       2.6756      2.00000
     44       2.8463      2.00000
     45       2.8662      2.00000
     46       2.9827      2.00000
     47       3.0418      2.00000
     48       3.0522      2.00000
     49       3.1225      2.00000
     50       3.1896      2.00000
     51       3.2740      2.00000
     52       3.3137      2.00000
     53       3.5422      2.00000
     54       3.6470      2.00000
     55       3.9169      2.00000
     56       3.9372      2.00000
     57       4.2143      2.00000
     58       4.4040      2.00000
     59       4.9986      2.00000
     60       5.5930      2.01041
     61       6.2198     -0.05182
     62       7.7578     -0.00000
     63       8.1616     -0.00000
     64       8.6123     -0.00000
     65       8.6511     -0.00000
     66       9.7775     -0.00000
     67      10.3959     -0.00000
     68      10.5901     -0.00000
     69      10.8076     -0.00000
     70      11.2531     -0.00000
     71      11.7451      0.00000
     72      12.4624      0.00000
     73      12.7163      0.00000
     74      12.8229      0.00000
     75      13.1382      0.00000
     76      13.2439      0.00000
     77      13.6788      0.00000
     78      14.4272      0.00000
     79      14.4906      0.00000
     80      14.5621      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6572      2.00000
      9      -0.6558      2.00000
     10      -0.2091      2.00000
     11       0.2435      2.00000
     12       0.2885      2.00000
     13       0.4318      2.00000
     14       0.4360      2.00000
     15       0.5875      2.00000
     16       0.6297      2.00000
     17       0.7219      2.00000
     18       0.7772      2.00000
     19       0.8702      2.00000
     20       0.9372      2.00000
     21       0.9826      2.00000
     22       1.0766      2.00000
     23       1.1423      2.00000
     24       1.1758      2.00000
     25       1.2486      2.00000
     26       1.3597      2.00000
     27       1.3749      2.00000
     28       1.4942      2.00000
     29       1.6212      2.00000
     30       1.6432      2.00000
     31       1.7410      2.00000
     32       1.8763      2.00000
     33       1.8949      2.00000
     34       1.9967      2.00000
     35       2.0750      2.00000
     36       2.1753      2.00000
     37       2.2389      2.00000
     38       2.3187      2.00000
     39       2.4001      2.00000
     40       2.4726      2.00000
     41       2.5639      2.00000
     42       2.6335      2.00000
     43       2.7213      2.00000
     44       2.7633      2.00000
     45       2.8180      2.00000
     46       2.8494      2.00000
     47       2.9284      2.00000
     48       3.0187      2.00000
     49       3.0735      2.00000
     50       3.1415      2.00000
     51       3.2231      2.00000
     52       3.2561      2.00000
     53       3.5444      2.00000
     54       3.6693      2.00000
     55       3.7432      2.00000
     56       3.8110      2.00000
     57       4.0996      2.00000
     58       4.9326      2.00000
     59       5.0777      2.00000
     60       5.8177      2.05080
     61       6.8055     -0.00000
     62       7.1802     -0.00000
     63       7.7798     -0.00000
     64       8.6858     -0.00000
     65       8.9427     -0.00000
     66       9.1126     -0.00000
     67       9.4564     -0.00000
     68       9.6255     -0.00000
     69       9.7864     -0.00000
     70      10.9392     -0.00000
     71      11.5598      0.00000
     72      12.1304      0.00000
     73      12.3228      0.00000
     74      12.4766      0.00000
     75      13.1578      0.00000
     76      13.2935      0.00000
     77      13.6937      0.00000
     78      14.0800      0.00000
     79      14.3936      0.00000
     80      14.5340      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6572      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0769      2.00000
      9      -0.2688      2.00000
     10      -0.2129      2.00000
     11       0.2592      2.00000
     12       0.4234      2.00000
     13       0.5195      2.00000
     14       0.5568      2.00000
     15       0.6763      2.00000
     16       0.7883      2.00000
     17       0.8332      2.00000
     18       0.9107      2.00000
     19       1.0006      2.00000
     20       1.0904      2.00000
     21       1.0996      2.00000
     22       1.1476      2.00000
     23       1.1974      2.00000
     24       1.2277      2.00000
     25       1.2734      2.00000
     26       1.3566      2.00000
     27       1.4930      2.00000
     28       1.5791      2.00000
     29       1.6356      2.00000
     30       1.6620      2.00000
     31       1.8176      2.00000
     32       1.8392      2.00000
     33       1.9958      2.00000
     34       2.0029      2.00000
     35       2.0658      2.00000
     36       2.1646      2.00000
     37       2.2042      2.00000
     38       2.2438      2.00000
     39       2.2968      2.00000
     40       2.3714      2.00000
     41       2.5069      2.00000
     42       2.6283      2.00000
     43       2.6553      2.00000
     44       2.7198      2.00000
     45       2.7574      2.00000
     46       2.8009      2.00000
     47       2.8342      2.00000
     48       2.9305      2.00000
     49       2.9490      2.00000
     50       3.0927      2.00000
     51       3.1173      2.00000
     52       3.2055      2.00000
     53       3.4113      2.00000
     54       3.4919      2.00000
     55       3.5855      2.00000
     56       3.6843      2.00000
     57       4.4248      2.00000
     58       4.7923      2.00000
     59       5.4324      2.00028
     60       5.9924      1.21681
     61       6.6003     -0.00031
     62       6.9332     -0.00000
     63       7.0297     -0.00000
     64       7.3314     -0.00000
     65       8.2603     -0.00000
     66       8.5019     -0.00000
     67       8.8328     -0.00000
     68       9.3273     -0.00000
     69       9.9668     -0.00000
     70      10.1770     -0.00000
     71      10.3275     -0.00000
     72      11.0745     -0.00000
     73      11.7709      0.00000
     74      12.1321      0.00000
     75      12.3073      0.00000
     76      12.9685      0.00000
     77      13.7622      0.00000
     78      13.8225      0.00000
     79      14.0882      0.00000
     80      14.2158      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3674      2.00000
      9      -0.1432      2.00000
     10       0.0784      2.00000
     11       0.1441      2.00000
     12       0.4552      2.00000
     13       0.5626      2.00000
     14       0.6364      2.00000
     15       0.6837      2.00000
     16       0.7310      2.00000
     17       0.8905      2.00000
     18       0.9449      2.00000
     19       1.0630      2.00000
     20       1.1470      2.00000
     21       1.1769      2.00000
     22       1.2132      2.00000
     23       1.3228      2.00000
     24       1.3763      2.00000
     25       1.4675      2.00000
     26       1.5353      2.00000
     27       1.5647      2.00000
     28       1.6342      2.00000
     29       1.7135      2.00000
     30       1.7788      2.00000
     31       1.8431      2.00000
     32       1.9069      2.00000
     33       1.9407      2.00000
     34       2.0850      2.00000
     35       2.1458      2.00000
     36       2.1526      2.00000
     37       2.2495      2.00000
     38       2.2605      2.00000
     39       2.3320      2.00000
     40       2.3727      2.00000
     41       2.4144      2.00000
     42       2.5074      2.00000
     43       2.5580      2.00000
     44       2.5944      2.00000
     45       2.6144      2.00000
     46       2.6862      2.00000
     47       2.7722      2.00000
     48       2.7912      2.00000
     49       2.8756      2.00000
     50       3.0681      2.00000
     51       3.1285      2.00000
     52       3.1837      2.00000
     53       3.3640      2.00000
     54       3.5314      2.00000
     55       3.6246      2.00000
     56       3.8824      2.00000
     57       4.3673      2.00000
     58       4.7210      2.00000
     59       5.0987      2.00000
     60       5.6347      2.02068
     61       5.6911      2.04285
     62       6.1988     -0.02380
     63       6.6441     -0.00009
     64       7.0046     -0.00000
     65       7.4980     -0.00000
     66       7.8684     -0.00000
     67       8.9857     -0.00000
     68       9.6036     -0.00000
     69       9.8833     -0.00000
     70      10.0844     -0.00000
     71      10.4641     -0.00000
     72      10.7308     -0.00000
     73      11.0886     -0.00000
     74      11.6149      0.00000
     75      12.2426      0.00000
     76      12.9477      0.00000
     77      13.1888      0.00000
     78      13.8972      0.00000
     79      13.9187      0.00000
     80      14.0560      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9167      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6143      2.00000
      7     -39.6111      2.00000
      8      -0.4518      2.00000
      9      -0.1488      2.00000
     10      -0.0143      2.00000
     11       0.1286      2.00000
     12       0.5343      2.00000
     13       0.5716      2.00000
     14       0.6440      2.00000
     15       0.7547      2.00000
     16       0.8608      2.00000
     17       0.9495      2.00000
     18       0.9946      2.00000
     19       1.0487      2.00000
     20       1.1047      2.00000
     21       1.1659      2.00000
     22       1.2223      2.00000
     23       1.3139      2.00000
     24       1.3907      2.00000
     25       1.4701      2.00000
     26       1.5022      2.00000
     27       1.5472      2.00000
     28       1.5981      2.00000
     29       1.7115      2.00000
     30       1.7522      2.00000
     31       1.7916      2.00000
     32       1.8939      2.00000
     33       1.9572      2.00000
     34       1.9678      2.00000
     35       2.0536      2.00000
     36       2.1800      2.00000
     37       2.1880      2.00000
     38       2.2854      2.00000
     39       2.3295      2.00000
     40       2.3548      2.00000
     41       2.4738      2.00000
     42       2.4938      2.00000
     43       2.5848      2.00000
     44       2.6140      2.00000
     45       2.6754      2.00000
     46       2.7672      2.00000
     47       2.7981      2.00000
     48       2.8099      2.00000
     49       2.8978      2.00000
     50       3.1200      2.00000
     51       3.1755      2.00000
     52       3.2283      2.00000
     53       3.5140      2.00000
     54       3.5692      2.00000
     55       3.6837      2.00000
     56       3.8796      2.00000
     57       4.4439      2.00000
     58       4.5779      2.00000
     59       4.9754      2.00000
     60       5.4250      2.00023
     61       5.7565      2.06898
     62       5.8155      2.05300
     63       6.7127     -0.00001
     64       6.9898     -0.00000
     65       7.2863     -0.00000
     66       7.5102     -0.00000
     67       9.0180     -0.00000
     68       9.4092     -0.00000
     69      10.1094     -0.00000
     70      10.5154     -0.00000
     71      10.8538     -0.00000
     72      11.2132     -0.00000
     73      11.4014     -0.00000
     74      11.6750      0.00000
     75      12.0182      0.00000
     76      12.6525      0.00000
     77      13.4676      0.00000
     78      13.5546      0.00000
     79      14.0919      0.00000
     80      14.1414      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6172      2.00000
      7     -39.6080      2.00000
      8      -1.1393      2.00000
      9      -0.5385      2.00000
     10       0.1024      2.00000
     11       0.1248      2.00000
     12       0.5057      2.00000
     13       0.5822      2.00000
     14       0.6507      2.00000
     15       0.6862      2.00000
     16       0.7971      2.00000
     17       0.8197      2.00000
     18       0.8438      2.00000
     19       0.9340      2.00000
     20       1.0931      2.00000
     21       1.1325      2.00000
     22       1.1751      2.00000
     23       1.2035      2.00000
     24       1.3155      2.00000
     25       1.3600      2.00000
     26       1.4019      2.00000
     27       1.4422      2.00000
     28       1.5063      2.00000
     29       1.5667      2.00000
     30       1.6892      2.00000
     31       1.7378      2.00000
     32       1.8748      2.00000
     33       1.9158      2.00000
     34       1.9719      2.00000
     35       2.1164      2.00000
     36       2.1620      2.00000
     37       2.2415      2.00000
     38       2.2837      2.00000
     39       2.3501      2.00000
     40       2.4260      2.00000
     41       2.5168      2.00000
     42       2.5689      2.00000
     43       2.6601      2.00000
     44       2.6933      2.00000
     45       2.7602      2.00000
     46       2.8049      2.00000
     47       2.8506      2.00000
     48       2.9089      2.00000
     49       2.9606      2.00000
     50       3.0761      2.00000
     51       3.1191      2.00000
     52       3.2018      2.00000
     53       3.3417      2.00000
     54       3.5104      2.00000
     55       3.7002      2.00000
     56       4.1183      2.00000
     57       4.6065      2.00000
     58       4.9806      2.00000
     59       5.3595      2.00003
     60       5.6895      2.04210
     61       6.0264      0.93085
     62       6.2165     -0.04839
     63       6.6960     -0.00002
     64       7.1754     -0.00000
     65       7.6159     -0.00000
     66       8.7320     -0.00000
     67       8.9077     -0.00000
     68       9.3512     -0.00000
     69      10.4086     -0.00000
     70      10.6069     -0.00000
     71      11.0109     -0.00000
     72      11.6263      0.00000
     73      12.2231      0.00000
     74      12.4981      0.00000
     75      12.8230      0.00000
     76      13.3553      0.00000
     77      13.5825      0.00000
     78      14.0662      0.00000
     79      14.2324      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6608      2.00000
      9      -0.8920      2.00000
     10       0.1372      2.00000
     11       0.2588      2.00000
     12       0.3090      2.00000
     13       0.3199      2.00000
     14       0.3965      2.00000
     15       0.6204      2.00000
     16       0.6407      2.00000
     17       0.6640      2.00000
     18       0.7486      2.00000
     19       0.8519      2.00000
     20       0.9321      2.00000
     21       1.0544      2.00000
     22       1.1236      2.00000
     23       1.1775      2.00000
     24       1.2161      2.00000
     25       1.2735      2.00000
     26       1.3766      2.00000
     27       1.3868      2.00000
     28       1.4682      2.00000
     29       1.5902      2.00000
     30       1.6896      2.00000
     31       1.7387      2.00000
     32       1.8439      2.00000
     33       1.8516      2.00000
     34       2.0286      2.00000
     35       2.1538      2.00000
     36       2.1902      2.00000
     37       2.2347      2.00000
     38       2.2623      2.00000
     39       2.3672      2.00000
     40       2.4456      2.00000
     41       2.5143      2.00000
     42       2.6228      2.00000
     43       2.6557      2.00000
     44       2.7749      2.00000
     45       2.8262      2.00000
     46       2.8768      2.00000
     47       2.9502      2.00000
     48       2.9834      2.00000
     49       3.1112      2.00000
     50       3.1836      2.00000
     51       3.2045      2.00000
     52       3.2915      2.00000
     53       3.4741      2.00000
     54       3.7154      2.00000
     55       3.9396      2.00000
     56       3.9633      2.00000
     57       4.1937      2.00000
     58       4.5983      2.00000
     59       5.0544      2.00000
     60       5.6506      2.02602
     61       6.7328     -0.00001
     62       7.3397     -0.00000
     63       7.6579     -0.00000
     64       8.2581     -0.00000
     65       8.4678     -0.00000
     66       8.5717     -0.00000
     67       9.0118     -0.00000
     68       9.2279     -0.00000
     69      11.3285     -0.00000
     70      12.1139      0.00000
     71      12.4165      0.00000
     72      12.6601      0.00000
     73      12.8376      0.00000
     74      13.0995      0.00000
     75      13.2870      0.00000
     76      13.5407      0.00000
     77      13.7042      0.00000
     78      13.7772      0.00000
     79      13.8812      0.00000
     80      14.0602      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6577      2.00000
      5     -39.6571      2.00000
      6     -39.6199      2.00000
      7     -39.6049      2.00000
      8      -1.6624      2.00000
      9      -0.7788      2.00000
     10      -0.6069      2.00000
     11       0.0744      2.00000
     12       0.2603      2.00000
     13       0.3747      2.00000
     14       0.3899      2.00000
     15       0.5478      2.00000
     16       0.6281      2.00000
     17       0.7354      2.00000
     18       0.7379      2.00000
     19       0.8335      2.00000
     20       0.8884      2.00000
     21       0.9195      2.00000
     22       1.0463      2.00000
     23       1.0971      2.00000
     24       1.1313      2.00000
     25       1.2325      2.00000
     26       1.3237      2.00000
     27       1.3511      2.00000
     28       1.4867      2.00000
     29       1.6069      2.00000
     30       1.6151      2.00000
     31       1.7798      2.00000
     32       1.8985      2.00000
     33       1.9059      2.00000
     34       2.0916      2.00000
     35       2.1455      2.00000
     36       2.2263      2.00000
     37       2.3484      2.00000
     38       2.4403      2.00000
     39       2.4610      2.00000
     40       2.4678      2.00000
     41       2.5363      2.00000
     42       2.6146      2.00000
     43       2.6794      2.00000
     44       2.6819      2.00000
     45       2.8133      2.00000
     46       2.8678      2.00000
     47       2.9553      2.00000
     48       2.9766      2.00000
     49       3.1475      2.00000
     50       3.2301      2.00000
     51       3.3154      2.00000
     52       3.3351      2.00000
     53       3.4386      2.00000
     54       3.5313      2.00000
     55       3.7167      2.00000
     56       3.7533      2.00000
     57       3.9899      2.00000
     58       4.1982      2.00000
     59       5.8095      2.05821
     60       7.2623     -0.00000
     61       7.4205     -0.00000
     62       7.4616     -0.00000
     63       7.7483     -0.00000
     64       8.2282     -0.00000
     65       8.7200     -0.00000
     66       9.2630     -0.00000
     67       9.8715     -0.00000
     68      10.4871     -0.00000
     69      10.6543     -0.00000
     70      11.2224     -0.00000
     71      11.2612     -0.00000
     72      11.4302     -0.00000
     73      12.3948      0.00000
     74      12.9820      0.00000
     75      13.1351      0.00000
     76      13.1857      0.00000
     77      13.4108      0.00000
     78      13.8864      0.00000
     79      13.9093      0.00000
     80      14.5883      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3946      2.00000
      9      -0.7718      2.00000
     10      -0.4141      2.00000
     11       0.1140      2.00000
     12       0.1897      2.00000
     13       0.4692      2.00000
     14       0.5362      2.00000
     15       0.6230      2.00000
     16       0.6411      2.00000
     17       0.7426      2.00000
     18       0.7576      2.00000
     19       0.9155      2.00000
     20       0.9553      2.00000
     21       0.9890      2.00000
     22       0.9928      2.00000
     23       1.0996      2.00000
     24       1.1653      2.00000
     25       1.1881      2.00000
     26       1.3324      2.00000
     27       1.3532      2.00000
     28       1.5579      2.00000
     29       1.6132      2.00000
     30       1.7285      2.00000
     31       1.7692      2.00000
     32       1.8233      2.00000
     33       1.9603      2.00000
     34       2.0178      2.00000
     35       2.0492      2.00000
     36       2.1505      2.00000
     37       2.2749      2.00000
     38       2.2795      2.00000
     39       2.3617      2.00000
     40       2.5140      2.00000
     41       2.5524      2.00000
     42       2.6405      2.00000
     43       2.7066      2.00000
     44       2.7387      2.00000
     45       2.7990      2.00000
     46       2.8923      2.00000
     47       2.9196      2.00000
     48       3.0103      2.00000
     49       3.1047      2.00000
     50       3.1572      2.00000
     51       3.2183      2.00000
     52       3.3454      2.00000
     53       3.3686      2.00000
     54       3.5624      2.00000
     55       3.7833      2.00000
     56       3.8401      2.00000
     57       3.9871      2.00000
     58       4.2321      2.00000
     59       6.2105     -0.04119
     60       6.5002     -0.00343
     61       7.3855     -0.00000
     62       7.7757     -0.00000
     63       7.8900     -0.00000
     64       8.3528     -0.00000
     65       8.5461     -0.00000
     66       8.8047     -0.00000
     67       8.8279     -0.00000
     68       9.6365     -0.00000
     69      10.2098     -0.00000
     70      10.6262     -0.00000
     71      10.7658     -0.00000
     72      11.1175     -0.00000
     73      11.9547      0.00000
     74      12.2936      0.00000
     75      12.6477      0.00000
     76      13.1645      0.00000
     77      13.6134      0.00000
     78      13.9298      0.00000
     79      14.2747      0.00000
     80      14.6649      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.9073      2.00000
      9      -0.3845      2.00000
     10      -0.0426      2.00000
     11       0.0600      2.00000
     12       0.4412      2.00000
     13       0.4951      2.00000
     14       0.5956      2.00000
     15       0.6937      2.00000
     16       0.7512      2.00000
     17       0.7570      2.00000
     18       0.8265      2.00000
     19       0.8850      2.00000
     20       1.0015      2.00000
     21       1.0356      2.00000
     22       1.1571      2.00000
     23       1.2341      2.00000
     24       1.2876      2.00000
     25       1.3741      2.00000
     26       1.4165      2.00000
     27       1.4917      2.00000
     28       1.6103      2.00000
     29       1.6536      2.00000
     30       1.7134      2.00000
     31       1.7879      2.00000
     32       1.8386      2.00000
     33       1.9262      2.00000
     34       1.9781      2.00000
     35       2.0274      2.00000
     36       2.0743      2.00000
     37       2.2182      2.00000
     38       2.2522      2.00000
     39       2.2874      2.00000
     40       2.4044      2.00000
     41       2.5535      2.00000
     42       2.6231      2.00000
     43       2.6340      2.00000
     44       2.7062      2.00000
     45       2.7376      2.00000
     46       2.8310      2.00000
     47       2.8629      2.00000
     48       2.9043      2.00000
     49       2.9321      2.00000
     50       3.0325      2.00000
     51       3.1326      2.00000
     52       3.3038      2.00000
     53       3.3374      2.00000
     54       3.4865      2.00000
     55       3.5699      2.00000
     56       3.7478      2.00000
     57       4.4169      2.00000
     58       5.2163      2.00000
     59       5.2878      2.00000
     60       5.9528      1.52241
     61       7.0488     -0.00000
     62       7.1800     -0.00000
     63       7.3380     -0.00000
     64       7.4448     -0.00000
     65       8.1633     -0.00000
     66       8.4030     -0.00000
     67       8.6129     -0.00000
     68       9.0568     -0.00000
     69       9.3302     -0.00000
     70       9.8281     -0.00000
     71      10.7582     -0.00000
     72      10.9615     -0.00000
     73      11.2718     -0.00000
     74      11.5919      0.00000
     75      12.5206      0.00000
     76      13.0805      0.00000
     77      13.4176      0.00000
     78      13.6642      0.00000
     79      13.9128      0.00000
     80      14.1170      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3907      2.00000
      9      -0.0762      2.00000
     10       0.0994      2.00000
     11       0.1580      2.00000
     12       0.4551      2.00000
     13       0.4918      2.00000
     14       0.5496      2.00000
     15       0.6696      2.00000
     16       0.7817      2.00000
     17       0.9094      2.00000
     18       0.9394      2.00000
     19       1.1119      2.00000
     20       1.1659      2.00000
     21       1.2127      2.00000
     22       1.2376      2.00000
     23       1.3288      2.00000
     24       1.4093      2.00000
     25       1.4398      2.00000
     26       1.4845      2.00000
     27       1.5609      2.00000
     28       1.6192      2.00000
     29       1.6589      2.00000
     30       1.7142      2.00000
     31       1.8296      2.00000
     32       1.9113      2.00000
     33       1.9591      2.00000
     34       2.0330      2.00000
     35       2.1050      2.00000
     36       2.1190      2.00000
     37       2.2021      2.00000
     38       2.2957      2.00000
     39       2.3103      2.00000
     40       2.3559      2.00000
     41       2.4666      2.00000
     42       2.5298      2.00000
     43       2.5533      2.00000
     44       2.6240      2.00000
     45       2.6933      2.00000
     46       2.7358      2.00000
     47       2.8145      2.00000
     48       2.8336      2.00000
     49       2.9491      2.00000
     50       3.0696      2.00000
     51       3.1793      2.00000
     52       3.2820      2.00000
     53       3.3367      2.00000
     54       3.4656      2.00000
     55       3.5863      2.00000
     56       3.7884      2.00000
     57       4.0883      2.00000
     58       4.2970      2.00000
     59       5.4667      2.00068
     60       5.8584      1.97976
     61       6.0220      0.96829
     62       6.3358     -0.04724
     63       6.7267     -0.00001
     64       7.1166     -0.00000
     65       7.5999     -0.00000
     66       8.0638     -0.00000
     67       8.3332     -0.00000
     68       8.9257     -0.00000
     69       9.4409     -0.00000
     70      10.2281     -0.00000
     71      10.4110     -0.00000
     72      10.5647     -0.00000
     73      11.3121     -0.00000
     74      11.8218      0.00000
     75      12.1539      0.00000
     76      12.9293      0.00000
     77      13.0130      0.00000
     78      13.6823      0.00000
     79      14.0029      0.00000
     80      14.6428      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6571      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4471      2.00000
      9      -0.1492      2.00000
     10       0.0469      2.00000
     11       0.1312      2.00000
     12       0.4958      2.00000
     13       0.5303      2.00000
     14       0.6300      2.00000
     15       0.7138      2.00000
     16       0.8955      2.00000
     17       0.9197      2.00000
     18       1.0339      2.00000
     19       1.0729      2.00000
     20       1.1358      2.00000
     21       1.1786      2.00000
     22       1.2516      2.00000
     23       1.2945      2.00000
     24       1.3905      2.00000
     25       1.4096      2.00000
     26       1.4581      2.00000
     27       1.5070      2.00000
     28       1.6582      2.00000
     29       1.6940      2.00000
     30       1.7383      2.00000
     31       1.7927      2.00000
     32       1.8715      2.00000
     33       1.9134      2.00000
     34       2.0071      2.00000
     35       2.0784      2.00000
     36       2.1847      2.00000
     37       2.2095      2.00000
     38       2.2840      2.00000
     39       2.3485      2.00000
     40       2.3696      2.00000
     41       2.4509      2.00000
     42       2.5024      2.00000
     43       2.5499      2.00000
     44       2.6518      2.00000
     45       2.6874      2.00000
     46       2.7387      2.00000
     47       2.8127      2.00000
     48       2.8806      2.00000
     49       2.9021      2.00000
     50       3.1078      2.00000
     51       3.1631      2.00000
     52       3.2487      2.00000
     53       3.4729      2.00000
     54       3.5618      2.00000
     55       3.6009      2.00000
     56       3.8959      2.00000
     57       4.3419      2.00000
     58       4.8559      2.00000
     59       5.0026      2.00000
     60       5.2049      2.00000
     61       5.6128      2.01462
     62       5.8111      2.05688
     63       6.7175     -0.00001
     64       7.1818     -0.00000
     65       7.6923     -0.00000
     66       7.8698     -0.00000
     67       8.6993     -0.00000
     68       9.4964     -0.00000
     69       9.9516     -0.00000
     70      10.1302     -0.00000
     71      10.4693     -0.00000
     72      10.5853     -0.00000
     73      11.1468     -0.00000
     74      11.8154      0.00000
     75      12.2270      0.00000
     76      12.7397      0.00000
     77      13.5877      0.00000
     78      14.0589      0.00000
     79      14.3195      0.00000
     80      14.4551      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0804      2.00000
      9      -0.3706      2.00000
     10      -0.1187      2.00000
     11       0.2710      2.00000
     12       0.4359      2.00000
     13       0.5088      2.00000
     14       0.5419      2.00000
     15       0.6791      2.00000
     16       0.7838      2.00000
     17       0.8398      2.00000
     18       0.9178      2.00000
     19       0.9468      2.00000
     20       1.0525      2.00000
     21       1.0810      2.00000
     22       1.1683      2.00000
     23       1.2171      2.00000
     24       1.2653      2.00000
     25       1.3206      2.00000
     26       1.4120      2.00000
     27       1.4529      2.00000
     28       1.5500      2.00000
     29       1.6084      2.00000
     30       1.7707      2.00000
     31       1.8189      2.00000
     32       1.8428      2.00000
     33       1.9644      2.00000
     34       1.9935      2.00000
     35       2.0544      2.00000
     36       2.1037      2.00000
     37       2.1308      2.00000
     38       2.2049      2.00000
     39       2.3290      2.00000
     40       2.4281      2.00000
     41       2.4707      2.00000
     42       2.6045      2.00000
     43       2.6501      2.00000
     44       2.6828      2.00000
     45       2.7864      2.00000
     46       2.8152      2.00000
     47       2.8701      2.00000
     48       2.9202      2.00000
     49       2.9738      2.00000
     50       3.0812      2.00000
     51       3.1278      2.00000
     52       3.2344      2.00000
     53       3.3192      2.00000
     54       3.4474      2.00000
     55       3.6232      2.00000
     56       4.0757      2.00000
     57       4.2786      2.00000
     58       5.1788      2.00000
     59       5.7450      2.06586
     60       5.9257      1.69760
     61       6.1144      0.28106
     62       6.5335     -0.00164
     63       6.7772     -0.00000
     64       7.2663     -0.00000
     65       7.6533     -0.00000
     66       8.3369     -0.00000
     67       9.3881     -0.00000
     68       9.5354     -0.00000
     69       9.9792     -0.00000
     70      10.1665     -0.00000
     71      11.3464     -0.00000
     72      11.4973      0.00000
     73      11.7655      0.00000
     74      11.9539      0.00000
     75      12.2754      0.00000
     76      12.7668      0.00000
     77      13.3481      0.00000
     78      13.6847      0.00000
     79      13.8237      0.00000
     80      14.1993      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.5569      2.00000
      9      -0.5570      2.00000
     10      -0.4678      2.00000
     11       0.2080      2.00000
     12       0.2331      2.00000
     13       0.4698      2.00000
     14       0.5230      2.00000
     15       0.5927      2.00000
     16       0.6296      2.00000
     17       0.6700      2.00000
     18       0.7937      2.00000
     19       0.9005      2.00000
     20       0.9450      2.00000
     21       0.9876      2.00000
     22       1.0096      2.00000
     23       1.1173      2.00000
     24       1.1615      2.00000
     25       1.2163      2.00000
     26       1.3846      2.00000
     27       1.4320      2.00000
     28       1.4857      2.00000
     29       1.5958      2.00000
     30       1.6395      2.00000
     31       1.7250      2.00000
     32       1.8686      2.00000
     33       1.8885      2.00000
     34       2.0138      2.00000
     35       2.1031      2.00000
     36       2.2045      2.00000
     37       2.2691      2.00000
     38       2.3428      2.00000
     39       2.3685      2.00000
     40       2.4378      2.00000
     41       2.5865      2.00000
     42       2.6740      2.00000
     43       2.7040      2.00000
     44       2.7349      2.00000
     45       2.8376      2.00000
     46       2.8630      2.00000
     47       2.8910      2.00000
     48       3.0543      2.00000
     49       3.0883      2.00000
     50       3.1668      2.00000
     51       3.2259      2.00000
     52       3.2311      2.00000
     53       3.5289      2.00000
     54       3.6165      2.00000
     55       3.6522      2.00000
     56       3.8502      2.00000
     57       3.9750      2.00000
     58       4.4793      2.00000
     59       5.6741      2.03532
     60       6.3620     -0.03546
     61       6.7007     -0.00002
     62       7.4998     -0.00000
     63       7.9779     -0.00000
     64       8.6842     -0.00000
     65       8.8777     -0.00000
     66       9.2078     -0.00000
     67       9.3668     -0.00000
     68       9.4689     -0.00000
     69       9.7894     -0.00000
     70      10.5149     -0.00000
     71      11.1801     -0.00000
     72      11.5399      0.00000
     73      12.0619      0.00000
     74      12.2460      0.00000
     75      13.0182      0.00000
     76      13.2477      0.00000
     77      13.2909      0.00000
     78      13.8525      0.00000
     79      14.5922      0.00000
     80      14.6677      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6578      2.00000
      5     -39.6570      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.6137      2.00000
      9      -0.8280      2.00000
     10      -0.5755      2.00000
     11       0.0723      2.00000
     12       0.1487      2.00000
     13       0.3587      2.00000
     14       0.3911      2.00000
     15       0.5464      2.00000
     16       0.6399      2.00000
     17       0.7597      2.00000
     18       0.7858      2.00000
     19       0.8691      2.00000
     20       0.8741      2.00000
     21       0.9182      2.00000
     22       1.0161      2.00000
     23       1.0257      2.00000
     24       1.0736      2.00000
     25       1.2519      2.00000
     26       1.3085      2.00000
     27       1.3768      2.00000
     28       1.4777      2.00000
     29       1.6248      2.00000
     30       1.6703      2.00000
     31       1.7600      2.00000
     32       1.8357      2.00000
     33       1.9545      2.00000
     34       2.0111      2.00000
     35       2.1685      2.00000
     36       2.2021      2.00000
     37       2.3300      2.00000
     38       2.4299      2.00000
     39       2.4612      2.00000
     40       2.4703      2.00000
     41       2.5106      2.00000
     42       2.6264      2.00000
     43       2.6365      2.00000
     44       2.6575      2.00000
     45       2.8271      2.00000
     46       2.8359      2.00000
     47       2.9477      2.00000
     48       2.9498      2.00000
     49       2.9797      2.00000
     50       3.1929      2.00000
     51       3.2554      2.00000
     52       3.4551      2.00000
     53       3.5486      2.00000
     54       3.6553      2.00000
     55       3.9673      2.00000
     56       4.0591      2.00000
     57       4.2109      2.00000
     58       4.5980      2.00000
     59       5.8666      1.95702
     60       6.1145      0.28097
     61       6.6523     -0.00007
     62       7.3645     -0.00000
     63       8.0018     -0.00000
     64       8.2518     -0.00000
     65       8.6410     -0.00000
     66       9.1011     -0.00000
     67       9.1647     -0.00000
     68      10.9017     -0.00000
     69      11.4374     -0.00000
     70      11.6312      0.00000
     71      11.9496      0.00000
     72      12.3443      0.00000
     73      12.6235      0.00000
     74      13.1765      0.00000
     75      13.2054      0.00000
     76      13.3622      0.00000
     77      13.3991      0.00000
     78      13.8269      0.00000
     79      13.8445      0.00000
     80      14.0873      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6577      2.00000
      5     -39.6570      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3577      2.00000
      9      -0.6672      2.00000
     10      -0.5433      2.00000
     11       0.0529      2.00000
     12       0.1860      2.00000
     13       0.4653      2.00000
     14       0.5559      2.00000
     15       0.6209      2.00000
     16       0.6336      2.00000
     17       0.7468      2.00000
     18       0.7894      2.00000
     19       0.9115      2.00000
     20       0.9221      2.00000
     21       0.9482      2.00000
     22       0.9806      2.00000
     23       1.0958      2.00000
     24       1.1220      2.00000
     25       1.1789      2.00000
     26       1.3692      2.00000
     27       1.4312      2.00000
     28       1.5971      2.00000
     29       1.6135      2.00000
     30       1.6781      2.00000
     31       1.7193      2.00000
     32       1.7702      2.00000
     33       1.9362      2.00000
     34       2.0182      2.00000
     35       2.0777      2.00000
     36       2.1888      2.00000
     37       2.2108      2.00000
     38       2.2825      2.00000
     39       2.4556      2.00000
     40       2.4791      2.00000
     41       2.5387      2.00000
     42       2.6404      2.00000
     43       2.6826      2.00000
     44       2.7267      2.00000
     45       2.7487      2.00000
     46       2.8435      2.00000
     47       2.8835      2.00000
     48       2.9841      2.00000
     49       3.0635      2.00000
     50       3.1415      2.00000
     51       3.1656      2.00000
     52       3.3148      2.00000
     53       3.4378      2.00000
     54       3.5193      2.00000
     55       3.7651      2.00000
     56       3.8950      2.00000
     57       5.0189      2.00000
     58       5.1248      2.00000
     59       5.6057      2.01298
     60       6.0423      0.79827
     61       6.8557     -0.00000
     62       7.3537     -0.00000
     63       7.5068     -0.00000
     64       7.7000     -0.00000
     65       8.1131     -0.00000
     66       8.2636     -0.00000
     67       9.9353     -0.00000
     68      10.3756     -0.00000
     69      10.5445     -0.00000
     70      10.9907     -0.00000
     71      11.1559     -0.00000
     72      11.6596      0.00000
     73      12.3291      0.00000
     74      12.4627      0.00000
     75      12.9908      0.00000
     76      13.1696      0.00000
     77      13.6536      0.00000
     78      13.7925      0.00000
     79      14.0939      0.00000
     80      14.3583      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.8993      2.00000
      9      -0.3675      2.00000
     10      -0.0522      2.00000
     11       0.0270      2.00000
     12       0.4684      2.00000
     13       0.4957      2.00000
     14       0.5794      2.00000
     15       0.6975      2.00000
     16       0.7335      2.00000
     17       0.7707      2.00000
     18       0.8287      2.00000
     19       0.8779      2.00000
     20       0.9980      2.00000
     21       1.0246      2.00000
     22       1.1357      2.00000
     23       1.2389      2.00000
     24       1.3365      2.00000
     25       1.3853      2.00000
     26       1.4580      2.00000
     27       1.5139      2.00000
     28       1.5545      2.00000
     29       1.5910      2.00000
     30       1.7496      2.00000
     31       1.8013      2.00000
     32       1.8707      2.00000
     33       1.9122      2.00000
     34       1.9664      2.00000
     35       2.0168      2.00000
     36       2.1308      2.00000
     37       2.1887      2.00000
     38       2.2277      2.00000
     39       2.2560      2.00000
     40       2.3269      2.00000
     41       2.5575      2.00000
     42       2.6101      2.00000
     43       2.6551      2.00000
     44       2.7220      2.00000
     45       2.7324      2.00000
     46       2.8465      2.00000
     47       2.8702      2.00000
     48       2.9115      2.00000
     49       2.9629      2.00000
     50       3.0462      2.00000
     51       3.1353      2.00000
     52       3.2743      2.00000
     53       3.3473      2.00000
     54       3.4143      2.00000
     55       3.5012      2.00000
     56       3.7124      2.00000
     57       4.6991      2.00000
     58       5.3850      2.00007
     59       5.6318      2.01979
     60       5.8380      2.02330
     61       6.6900     -0.00002
     62       6.9397     -0.00000
     63       7.1016     -0.00000
     64       7.2382     -0.00000
     65       8.4995     -0.00000
     66       8.5788     -0.00000
     67       8.6997     -0.00000
     68       8.9034     -0.00000
     69       9.2469     -0.00000
     70       9.6729     -0.00000
     71      10.8864     -0.00000
     72      11.0777     -0.00000
     73      11.2575     -0.00000
     74      11.7821      0.00000
     75      12.7502      0.00000
     76      13.0061      0.00000
     77      13.5280      0.00000
     78      13.7534      0.00000
     79      14.0050      0.00000
     80      14.3953      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3678      2.00000
      9      -0.1220      2.00000
     10       0.0976      2.00000
     11       0.1729      2.00000
     12       0.4629      2.00000
     13       0.5292      2.00000
     14       0.5887      2.00000
     15       0.6350      2.00000
     16       0.7429      2.00000
     17       0.9014      2.00000
     18       0.9483      2.00000
     19       1.0630      2.00000
     20       1.1520      2.00000
     21       1.1917      2.00000
     22       1.2399      2.00000
     23       1.3158      2.00000
     24       1.3935      2.00000
     25       1.4817      2.00000
     26       1.5134      2.00000
     27       1.5399      2.00000
     28       1.6219      2.00000
     29       1.7165      2.00000
     30       1.7372      2.00000
     31       1.8357      2.00000
     32       1.9064      2.00000
     33       1.9716      2.00000
     34       2.0413      2.00000
     35       2.1080      2.00000
     36       2.1742      2.00000
     37       2.2558      2.00000
     38       2.3045      2.00000
     39       2.3181      2.00000
     40       2.3805      2.00000
     41       2.4277      2.00000
     42       2.5149      2.00000
     43       2.5614      2.00000
     44       2.5826      2.00000
     45       2.6352      2.00000
     46       2.7010      2.00000
     47       2.7564      2.00000
     48       2.8066      2.00000
     49       2.9552      2.00000
     50       3.0440      2.00000
     51       3.1388      2.00000
     52       3.1805      2.00000
     53       3.3307      2.00000
     54       3.5331      2.00000
     55       3.5973      2.00000
     56       3.9548      2.00000
     57       4.1919      2.00000
     58       4.4131      2.00000
     59       5.2765      2.00000
     60       5.8326      2.03199
     61       5.9548      1.50844
     62       6.2607     -0.07087
     63       6.4648     -0.00702
     64       6.9962     -0.00000
     65       7.8609     -0.00000
     66       8.0241     -0.00000
     67       8.8250     -0.00000
     68       9.1404     -0.00000
     69       9.7229     -0.00000
     70       9.8616     -0.00000
     71      10.3688     -0.00000
     72      10.5735     -0.00000
     73      10.9556     -0.00000
     74      11.8506      0.00000
     75      12.4446      0.00000
     76      12.6142      0.00000
     77      13.3367      0.00000
     78      13.7152      0.00000
     79      14.3616      0.00000
     80      14.4506      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4395      2.00000
      9      -0.1383      2.00000
     10      -0.0186      2.00000
     11       0.1297      2.00000
     12       0.5454      2.00000
     13       0.5900      2.00000
     14       0.6430      2.00000
     15       0.7780      2.00000
     16       0.8030      2.00000
     17       0.9226      2.00000
     18       0.9641      2.00000
     19       1.0461      2.00000
     20       1.1084      2.00000
     21       1.1504      2.00000
     22       1.2402      2.00000
     23       1.3371      2.00000
     24       1.3858      2.00000
     25       1.4084      2.00000
     26       1.4883      2.00000
     27       1.5914      2.00000
     28       1.6672      2.00000
     29       1.7210      2.00000
     30       1.7656      2.00000
     31       1.8194      2.00000
     32       1.8845      2.00000
     33       1.8976      2.00000
     34       2.0026      2.00000
     35       2.1225      2.00000
     36       2.1798      2.00000
     37       2.2188      2.00000
     38       2.2419      2.00000
     39       2.3047      2.00000
     40       2.3963      2.00000
     41       2.4539      2.00000
     42       2.4882      2.00000
     43       2.5538      2.00000
     44       2.6181      2.00000
     45       2.6424      2.00000
     46       2.7276      2.00000
     47       2.7703      2.00000
     48       2.8208      2.00000
     49       2.8756      2.00000
     50       3.1333      2.00000
     51       3.1424      2.00000
     52       3.3422      2.00000
     53       3.4707      2.00000
     54       3.5743      2.00000
     55       3.6068      2.00000
     56       3.7772      2.00000
     57       4.3624      2.00000
     58       4.5602      2.00000
     59       5.1208      2.00000
     60       5.6206      2.01661
     61       5.7598      2.06965
     62       6.3984     -0.02174
     63       6.4957     -0.00378
     64       6.8319     -0.00000
     65       6.9986     -0.00000
     66       7.3763     -0.00000
     67       9.1015     -0.00000
     68       9.3512     -0.00000
     69      10.2455     -0.00000
     70      10.5522     -0.00000
     71      10.9141     -0.00000
     72      11.4042     -0.00000
     73      11.5622      0.00000
     74      11.8287      0.00000
     75      12.1731      0.00000
     76      12.6587      0.00000
     77      12.9265      0.00000
     78      13.1011      0.00000
     79      13.9037      0.00000
     80      14.2219      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.1086      2.00000
      9      -0.3088      2.00000
     10      -0.1729      2.00000
     11       0.2340      2.00000
     12       0.4803      2.00000
     13       0.5438      2.00000
     14       0.5746      2.00000
     15       0.6533      2.00000
     16       0.7710      2.00000
     17       0.8563      2.00000
     18       0.9282      2.00000
     19       1.0167      2.00000
     20       1.0903      2.00000
     21       1.1192      2.00000
     22       1.1670      2.00000
     23       1.1900      2.00000
     24       1.2227      2.00000
     25       1.2514      2.00000
     26       1.3548      2.00000
     27       1.4823      2.00000
     28       1.5499      2.00000
     29       1.6378      2.00000
     30       1.6850      2.00000
     31       1.7924      2.00000
     32       1.8386      2.00000
     33       1.9671      2.00000
     34       2.0374      2.00000
     35       2.1000      2.00000
     36       2.1616      2.00000
     37       2.2174      2.00000
     38       2.2442      2.00000
     39       2.3004      2.00000
     40       2.3364      2.00000
     41       2.5249      2.00000
     42       2.6196      2.00000
     43       2.6433      2.00000
     44       2.7200      2.00000
     45       2.7342      2.00000
     46       2.7784      2.00000
     47       2.8162      2.00000
     48       2.9374      2.00000
     49       2.9957      2.00000
     50       3.0623      2.00000
     51       3.1373      2.00000
     52       3.2018      2.00000
     53       3.4249      2.00000
     54       3.4635      2.00000
     55       3.5670      2.00000
     56       3.7172      2.00000
     57       4.5297      2.00000
     58       4.7873      2.00000
     59       5.4088      2.00014
     60       5.9587      1.48016
     61       6.4747     -0.00579
     62       6.8101     -0.00000
     63       7.0833     -0.00000
     64       7.3901     -0.00000
     65       8.0565     -0.00000
     66       8.6666     -0.00000
     67       8.7596     -0.00000
     68       9.3238     -0.00000
     69       9.8325     -0.00000
     70       9.9168     -0.00000
     71      10.6629     -0.00000
     72      11.1681     -0.00000
     73      11.8732      0.00000
     74      12.1859      0.00000
     75      12.6609      0.00000
     76      13.2254      0.00000
     77      13.9570      0.00000
     78      14.0323      0.00000
     79      14.3590      0.00000
     80      14.4066      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.5493      2.00000
      9      -0.6255      2.00000
     10      -0.3868      2.00000
     11       0.1882      2.00000
     12       0.2308      2.00000
     13       0.4345      2.00000
     14       0.5226      2.00000
     15       0.5834      2.00000
     16       0.6301      2.00000
     17       0.6901      2.00000
     18       0.8052      2.00000
     19       0.9131      2.00000
     20       0.9423      2.00000
     21       0.9818      2.00000
     22       1.0451      2.00000
     23       1.1298      2.00000
     24       1.1585      2.00000
     25       1.2489      2.00000
     26       1.2697      2.00000
     27       1.3829      2.00000
     28       1.5903      2.00000
     29       1.6420      2.00000
     30       1.7047      2.00000
     31       1.7567      2.00000
     32       1.8186      2.00000
     33       1.8688      2.00000
     34       1.9901      2.00000
     35       2.0334      2.00000
     36       2.1214      2.00000
     37       2.3078      2.00000
     38       2.3430      2.00000
     39       2.4427      2.00000
     40       2.5141      2.00000
     41       2.5270      2.00000
     42       2.6070      2.00000
     43       2.6718      2.00000
     44       2.6977      2.00000
     45       2.7915      2.00000
     46       2.8433      2.00000
     47       2.9014      2.00000
     48       3.0486      2.00000
     49       3.0912      2.00000
     50       3.2082      2.00000
     51       3.2277      2.00000
     52       3.2954      2.00000
     53       3.4005      2.00000
     54       3.5874      2.00000
     55       3.7969      2.00000
     56       3.8142      2.00000
     57       3.9742      2.00000
     58       4.7533      2.00000
     59       5.6563      2.02813
     60       6.5582     -0.00091
     61       6.8516     -0.00000
     62       7.4448     -0.00000
     63       7.8248     -0.00000
     64       7.8731     -0.00000
     65       8.4178     -0.00000
     66       9.0455     -0.00000
     67       9.2214     -0.00000
     68       9.9804     -0.00000
     69      10.4665     -0.00000
     70      10.7233     -0.00000
     71      11.1366     -0.00000
     72      11.4761     -0.00000
     73      12.1391      0.00000
     74      12.6588      0.00000
     75      12.9925      0.00000
     76      13.3555      0.00000
     77      13.5016      0.00000
     78      13.8974      0.00000
     79      14.3207      0.00000
     80      14.5431      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6578      2.00000
      5     -39.6570      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.6075      2.00000
      9      -0.7835      2.00000
     10      -0.6607      2.00000
     11       0.0663      2.00000
     12       0.1905      2.00000
     13       0.3549      2.00000
     14       0.3889      2.00000
     15       0.5643      2.00000
     16       0.6126      2.00000
     17       0.7229      2.00000
     18       0.7831      2.00000
     19       0.8461      2.00000
     20       0.9069      2.00000
     21       0.9239      2.00000
     22       1.0655      2.00000
     23       1.1095      2.00000
     24       1.1487      2.00000
     25       1.2454      2.00000
     26       1.2596      2.00000
     27       1.2701      2.00000
     28       1.4670      2.00000
     29       1.6052      2.00000
     30       1.6201      2.00000
     31       1.7499      2.00000
     32       1.7863      2.00000
     33       1.9112      2.00000
     34       2.1265      2.00000
     35       2.1544      2.00000
     36       2.3459      2.00000
     37       2.3531      2.00000
     38       2.3923      2.00000
     39       2.4404      2.00000
     40       2.4668      2.00000
     41       2.5357      2.00000
     42       2.6309      2.00000
     43       2.6677      2.00000
     44       2.7282      2.00000
     45       2.7985      2.00000
     46       2.8441      2.00000
     47       2.8967      2.00000
     48       2.9359      2.00000
     49       3.0387      2.00000
     50       3.1795      2.00000
     51       3.2288      2.00000
     52       3.3931      2.00000
     53       3.5888      2.00000
     54       3.6433      2.00000
     55       3.9596      2.00000
     56       4.0579      2.00000
     57       4.2298      2.00000
     58       4.4522      2.00000
     59       5.6741      2.03530
     60       6.2364     -0.06431
     61       6.6913     -0.00002
     62       7.5131     -0.00000
     63       7.8839     -0.00000
     64       8.1453     -0.00000
     65       8.8040     -0.00000
     66       9.3773     -0.00000
     67       9.5744     -0.00000
     68      10.7267     -0.00000
     69      10.8973     -0.00000
     70      11.4751     -0.00000
     71      11.9816      0.00000
     72      12.0729      0.00000
     73      12.5103      0.00000
     74      12.8937      0.00000
     75      13.0055      0.00000
     76      13.2840      0.00000
     77      13.4377      0.00000
     78      13.8968      0.00000
     79      14.0569      0.00000
     80      14.3383      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3896      2.00000
      9      -0.7316      2.00000
     10      -0.4749      2.00000
     11       0.1179      2.00000
     12       0.1860      2.00000
     13       0.4773      2.00000
     14       0.5476      2.00000
     15       0.6286      2.00000
     16       0.6343      2.00000
     17       0.7468      2.00000
     18       0.7679      2.00000
     19       0.9284      2.00000
     20       0.9323      2.00000
     21       0.9510      2.00000
     22       0.9796      2.00000
     23       1.1175      2.00000
     24       1.1603      2.00000
     25       1.1830      2.00000
     26       1.3683      2.00000
     27       1.3817      2.00000
     28       1.5162      2.00000
     29       1.6156      2.00000
     30       1.6312      2.00000
     31       1.7914      2.00000
     32       1.8430      2.00000
     33       1.9616      2.00000
     34       1.9886      2.00000
     35       2.1656      2.00000
     36       2.1991      2.00000
     37       2.2206      2.00000
     38       2.2574      2.00000
     39       2.3095      2.00000
     40       2.5345      2.00000
     41       2.5759      2.00000
     42       2.6209      2.00000
     43       2.6949      2.00000
     44       2.7405      2.00000
     45       2.8143      2.00000
     46       2.8964      2.00000
     47       2.9553      2.00000
     48       3.0015      2.00000
     49       3.1138      2.00000
     50       3.1568      2.00000
     51       3.1969      2.00000
     52       3.3095      2.00000
     53       3.3985      2.00000
     54       3.5578      2.00000
     55       3.7450      2.00000
     56       3.8993      2.00000
     57       4.0354      2.00000
     58       4.2855      2.00000
     59       6.2381     -0.06521
     60       6.6572     -0.00006
     61       7.1101     -0.00000
     62       7.3072     -0.00000
     63       8.0038     -0.00000
     64       8.2265     -0.00000
     65       8.3896     -0.00000
     66       8.7905     -0.00000
     67       9.5495     -0.00000
     68       9.8182     -0.00000
     69      10.1305     -0.00000
     70      10.3422     -0.00000
     71      10.8590     -0.00000
     72      11.3406     -0.00000
     73      12.0565      0.00000
     74      12.2017      0.00000
     75      12.6279      0.00000
     76      13.1378      0.00000
     77      13.5498      0.00000
     78      13.7450      0.00000
     79      14.3164      0.00000
     80      14.6239      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.9138      2.00000
      9      -0.4525      2.00000
     10       0.0426      2.00000
     11       0.0925      2.00000
     12       0.3951      2.00000
     13       0.4964      2.00000
     14       0.6462      2.00000
     15       0.6696      2.00000
     16       0.7353      2.00000
     17       0.7782      2.00000
     18       0.8182      2.00000
     19       0.9024      2.00000
     20       1.0199      2.00000
     21       1.0441      2.00000
     22       1.1249      2.00000
     23       1.2299      2.00000
     24       1.2716      2.00000
     25       1.2943      2.00000
     26       1.3780      2.00000
     27       1.4629      2.00000
     28       1.6703      2.00000
     29       1.6960      2.00000
     30       1.7853      2.00000
     31       1.8233      2.00000
     32       1.8537      2.00000
     33       1.9109      2.00000
     34       1.9719      2.00000
     35       1.9962      2.00000
     36       2.0277      2.00000
     37       2.2392      2.00000
     38       2.2917      2.00000
     39       2.3505      2.00000
     40       2.4827      2.00000
     41       2.5179      2.00000
     42       2.5667      2.00000
     43       2.6864      2.00000
     44       2.7090      2.00000
     45       2.7400      2.00000
     46       2.7626      2.00000
     47       2.8528      2.00000
     48       2.8779      2.00000
     49       2.9126      2.00000
     50       3.0718      2.00000
     51       3.1640      2.00000
     52       3.3297      2.00000
     53       3.3444      2.00000
     54       3.5830      2.00000
     55       3.7518      2.00000
     56       3.8213      2.00000
     57       4.0256      2.00000
     58       4.6287      2.00000
     59       4.8197      2.00000
     60       6.5709     -0.00066
     61       7.0555     -0.00000
     62       7.5075     -0.00000
     63       7.6232     -0.00000
     64       7.8411     -0.00000
     65       8.0273     -0.00000
     66       8.6751     -0.00000
     67       8.9036     -0.00000
     68       9.1889     -0.00000
     69       9.5754     -0.00000
     70       9.6020     -0.00000
     71       9.7952     -0.00000
     72      10.0845     -0.00000
     73      11.4907      0.00000
     74      11.8018      0.00000
     75      11.8826      0.00000
     76      12.9976      0.00000
     77      13.3778      0.00000
     78      13.9788      0.00000
     79      14.2238      0.00000
     80      14.5697      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3639      2.00000
      9      -0.1215      2.00000
     10       0.1013      2.00000
     11       0.1530      2.00000
     12       0.4178      2.00000
     13       0.5343      2.00000
     14       0.6092      2.00000
     15       0.6882      2.00000
     16       0.7674      2.00000
     17       0.8925      2.00000
     18       0.9351      2.00000
     19       1.0651      2.00000
     20       1.1181      2.00000
     21       1.1813      2.00000
     22       1.2111      2.00000
     23       1.3429      2.00000
     24       1.3902      2.00000
     25       1.4450      2.00000
     26       1.5078      2.00000
     27       1.6557      2.00000
     28       1.6984      2.00000
     29       1.7168      2.00000
     30       1.7365      2.00000
     31       1.8321      2.00000
     32       1.8728      2.00000
     33       1.9327      2.00000
     34       2.0068      2.00000
     35       2.1216      2.00000
     36       2.1607      2.00000
     37       2.2520      2.00000
     38       2.2773      2.00000
     39       2.3455      2.00000
     40       2.3933      2.00000
     41       2.4343      2.00000
     42       2.5250      2.00000
     43       2.5676      2.00000
     44       2.5941      2.00000
     45       2.6412      2.00000
     46       2.6762      2.00000
     47       2.7285      2.00000
     48       2.7901      2.00000
     49       2.8744      2.00000
     50       3.0728      2.00000
     51       3.1248      2.00000
     52       3.1775      2.00000
     53       3.2227      2.00000
     54       3.4873      2.00000
     55       3.5965      2.00000
     56       3.9561      2.00000
     57       4.6221      2.00000
     58       4.7015      2.00000
     59       5.1194      2.00000
     60       5.6463      2.02449
     61       5.7781      2.07073
     62       6.0841      0.47462
     63       6.3800     -0.02820
     64       6.9277     -0.00000
     65       7.6557     -0.00000
     66       8.4515     -0.00000
     67       8.9993     -0.00000
     68       9.3539     -0.00000
     69       9.4784     -0.00000
     70       9.8125     -0.00000
     71      10.6703     -0.00000
     72      11.0179     -0.00000
     73      11.3678     -0.00000
     74      11.7079      0.00000
     75      12.0723      0.00000
     76      12.4060      0.00000
     77      12.7624      0.00000
     78      13.6211      0.00000
     79      13.9580      0.00000
     80      14.1673      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4282      2.00000
      9      -0.1864      2.00000
     10       0.0361      2.00000
     11       0.1374      2.00000
     12       0.5263      2.00000
     13       0.5865      2.00000
     14       0.6771      2.00000
     15       0.7347      2.00000
     16       0.7953      2.00000
     17       0.8749      2.00000
     18       0.9519      2.00000
     19       1.0899      2.00000
     20       1.1072      2.00000
     21       1.1944      2.00000
     22       1.2705      2.00000
     23       1.2944      2.00000
     24       1.3637      2.00000
     25       1.4109      2.00000
     26       1.4649      2.00000
     27       1.5517      2.00000
     28       1.6667      2.00000
     29       1.7395      2.00000
     30       1.7716      2.00000
     31       1.8312      2.00000
     32       1.8451      2.00000
     33       1.9568      2.00000
     34       2.0591      2.00000
     35       2.0927      2.00000
     36       2.1319      2.00000
     37       2.2396      2.00000
     38       2.2776      2.00000
     39       2.2861      2.00000
     40       2.4359      2.00000
     41       2.4723      2.00000
     42       2.4787      2.00000
     43       2.5519      2.00000
     44       2.6198      2.00000
     45       2.6484      2.00000
     46       2.6996      2.00000
     47       2.7923      2.00000
     48       2.7999      2.00000
     49       2.8793      2.00000
     50       3.0885      2.00000
     51       3.1662      2.00000
     52       3.2484      2.00000
     53       3.4804      2.00000
     54       3.5613      2.00000
     55       3.6511      2.00000
     56       4.0624      2.00000
     57       4.5108      2.00000
     58       4.5619      2.00000
     59       4.8248      2.00000
     60       5.1649      2.00000
     61       5.6568      2.02831
     62       6.1384      0.15912
     63       6.3999     -0.02127
     64       7.5655     -0.00000
     65       7.7339     -0.00000
     66       8.0220     -0.00000
     67       8.4232     -0.00000
     68       8.9550     -0.00000
     69       9.6228     -0.00000
     70      10.2576     -0.00000
     71      10.3928     -0.00000
     72      11.2653     -0.00000
     73      11.6931      0.00000
     74      12.2917      0.00000
     75      12.4653      0.00000
     76      12.6284      0.00000
     77      13.3591      0.00000
     78      13.6115      0.00000
     79      14.1681      0.00000
     80      14.3036      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6570      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0487      2.00000
      9      -0.4638      2.00000
     10      -0.0835      2.00000
     11       0.3264      2.00000
     12       0.4398      2.00000
     13       0.5129      2.00000
     14       0.5648      2.00000
     15       0.6426      2.00000
     16       0.7467      2.00000
     17       0.8186      2.00000
     18       0.9180      2.00000
     19       0.9896      2.00000
     20       1.0222      2.00000
     21       1.0959      2.00000
     22       1.1806      2.00000
     23       1.2095      2.00000
     24       1.3101      2.00000
     25       1.3356      2.00000
     26       1.3570      2.00000
     27       1.4375      2.00000
     28       1.5029      2.00000
     29       1.6023      2.00000
     30       1.7652      2.00000
     31       1.8395      2.00000
     32       1.8605      2.00000
     33       1.9287      2.00000
     34       1.9881      2.00000
     35       2.0407      2.00000
     36       2.1198      2.00000
     37       2.1933      2.00000
     38       2.2604      2.00000
     39       2.3274      2.00000
     40       2.4504      2.00000
     41       2.4908      2.00000
     42       2.5088      2.00000
     43       2.6495      2.00000
     44       2.6812      2.00000
     45       2.7585      2.00000
     46       2.8015      2.00000
     47       2.8493      2.00000
     48       2.9233      2.00000
     49       3.0204      2.00000
     50       3.0805      2.00000
     51       3.1474      2.00000
     52       3.2156      2.00000
     53       3.3216      2.00000
     54       3.4860      2.00000
     55       3.6506      2.00000
     56       3.8496      2.00000
     57       4.7539      2.00000
     58       5.2114      2.00000
     59       5.3412      2.00002
     60       5.5966      2.01109
     61       6.3418     -0.04447
     62       6.5417     -0.00135
     63       7.2845     -0.00000
     64       7.3926     -0.00000
     65       7.6594     -0.00000
     66       8.0556     -0.00000
     67       8.8458     -0.00000
     68       9.6459     -0.00000
     69       9.9760     -0.00000
     70      10.4949     -0.00000
     71      10.6825     -0.00000
     72      11.0112     -0.00000
     73      11.2998     -0.00000
     74      12.4692      0.00000
     75      13.0286      0.00000
     76      13.2948      0.00000
     77      13.5940      0.00000
     78      14.1208      0.00000
     79      14.2249      0.00000
     80      14.8642      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6570      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.4876      2.00000
      9      -0.7357      2.00000
     10      -0.3631      2.00000
     11       0.1608      2.00000
     12       0.2177      2.00000
     13       0.4618      2.00000
     14       0.5301      2.00000
     15       0.6045      2.00000
     16       0.6306      2.00000
     17       0.6632      2.00000
     18       0.8209      2.00000
     19       0.8778      2.00000
     20       0.9360      2.00000
     21       0.9724      2.00000
     22       0.9946      2.00000
     23       1.1438      2.00000
     24       1.1786      2.00000
     25       1.2449      2.00000
     26       1.3192      2.00000
     27       1.4366      2.00000
     28       1.5449      2.00000
     29       1.5932      2.00000
     30       1.6140      2.00000
     31       1.6886      2.00000
     32       1.8926      2.00000
     33       1.9651      2.00000
     34       2.0157      2.00000
     35       2.0911      2.00000
     36       2.1930      2.00000
     37       2.2559      2.00000
     38       2.3346      2.00000
     39       2.3555      2.00000
     40       2.4523      2.00000
     41       2.4719      2.00000
     42       2.6324      2.00000
     43       2.6730      2.00000
     44       2.7517      2.00000
     45       2.7771      2.00000
     46       2.8256      2.00000
     47       2.9630      2.00000
     48       2.9826      2.00000
     49       3.1160      2.00000
     50       3.1537      2.00000
     51       3.1954      2.00000
     52       3.3031      2.00000
     53       3.3790      2.00000
     54       3.6121      2.00000
     55       3.7812      2.00000
     56       3.8282      2.00000
     57       4.6154      2.00000
     58       5.1252      2.00000
     59       5.6733      2.03498
     60       6.1395      0.15452
     61       6.4412     -0.01085
     62       6.9206     -0.00000
     63       7.2593     -0.00000
     64       7.9418     -0.00000
     65       8.8892     -0.00000
     66       8.9877     -0.00000
     67       9.2156     -0.00000
     68       9.9801     -0.00000
     69      10.0447     -0.00000
     70      11.7040      0.00000
     71      11.9022      0.00000
     72      12.1186      0.00000
     73      12.2378      0.00000
     74      12.4568      0.00000
     75      12.8906      0.00000
     76      13.2981      0.00000
     77      13.5645      0.00000
     78      13.8128      0.00000
     79      13.9563      0.00000
     80      14.4561      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.007  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.007   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.001  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.023   0.010   0.030   0.009   0.006  -1.169  -0.014  -0.025  -0.039  -0.014   0.018  -0.005  -0.012   0.007   0.356  -0.000
  0.010   3.076  -0.272   0.019  -0.176  -0.014  -1.060   0.226  -0.010   0.140  -0.065   0.011   0.000   0.172   0.008   0.000
  0.030  -0.272   2.659   0.008  -0.319  -0.025   0.226  -0.701  -0.018   0.234   0.083  -0.035  -0.112  -0.021  -0.004   0.006
  0.009   0.019   0.008   2.946   0.016  -0.039  -0.010  -0.018  -1.110  -0.007  -0.020   0.004   0.010   0.004  -0.022  -0.000
  0.006  -0.176  -0.319   0.016   3.076  -0.014   0.140   0.234  -0.007  -1.015  -0.143   0.068   0.045  -0.010   0.020   0.008
 -1.169  -0.014  -0.025  -0.039  -0.014   1.222   0.017   0.021   0.064   0.019  -0.016   0.005   0.012  -0.006  -0.289  -0.000
 -0.014  -1.060   0.226  -0.010   0.140   0.017   0.979  -0.182   0.003  -0.105   0.059  -0.013  -0.008  -0.138  -0.007   0.000
 -0.025   0.226  -0.701  -0.018   0.234   0.021  -0.182   0.679   0.026  -0.162  -0.091   0.046   0.084   0.025   0.002  -0.002
 -0.039  -0.010  -0.018  -1.110  -0.007   0.064   0.003   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.014   0.000
 -0.014   0.140   0.234  -0.007  -1.015   0.019  -0.105  -0.162   0.001   0.907   0.133  -0.074  -0.048   0.010  -0.016  -0.000
  0.018  -0.065   0.083  -0.020  -0.143  -0.016   0.059  -0.091   0.019   0.133   2.091  -0.311  -0.041   0.003   0.001   0.002
 -0.005   0.011  -0.035   0.004   0.068   0.005  -0.013   0.046  -0.006  -0.074  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012   0.000  -0.112   0.010   0.045   0.012  -0.008   0.084  -0.009  -0.048  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.010  -0.006  -0.138   0.025  -0.002   0.010   0.003  -0.004   0.007   0.127   0.002  -0.000
  0.356   0.008  -0.004  -0.022   0.020  -0.289  -0.007   0.002   0.014  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.66: real time    1.67
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.64: real time    3.66
    STRESS:  cpu time    6.59: real time    6.61
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   18.69: real time   18.74
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.41: real time   20.50

 eigenvalue-minimisations  :  8592
 total energy-change (2. order) : 0.3161598E-05  (-0.6174205E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0511444 magnetization 

 Broyden mixing:
  rms(total) = 0.26607E-02    rms(broyden)= 0.26606E-02
  rms(prec ) = 0.27291E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6069
  2.3006  2.3006  0.9726  0.8536

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.27522137
  Ewald energy   TEWEN  =     -8357.68545011
  -1/2 Hartree   DENC   =     -1869.74903621
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46687861
  PAW double counting   =      9486.90810225    -9414.86569997
  entropy T*S    EENTRO =         0.00518485
  eigenvalues    EBANDS =      -338.44219019
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87741409 eV

  energy without entropy =      -49.88259894  energy(sigma->0) =      -49.87914237
9604630  8.753944479  0.924248823     0.002759483  0.115200572  0.002519971
    -2.320650165 -0.100957026  7.156473303    -0.005205378 -0.016874621  0.137807616

  length of vectors
     4.103128826  9.631759350  7.524009546     0.275466332  0.115261168  0.138934473


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.159E+03 0.251E+02   0.384E+01 0.162E+03 -.254E+02   -.163E+00 -.282E+01 0.274E+00   -.424E-03 -.109E-02 -.114E-02
   0.367E+01 0.159E+03 -.251E+02   -.384E+01 -.162E+03 0.254E+02   0.164E+00 0.282E+01 -.274E+00   0.427E-03 0.108E-02 0.114E-02
   0.320E+01 0.146E+03 0.683E+01   -.329E+01 -.148E+03 -.665E+01   0.933E-01 0.127E+01 -.188E+00   -.204E-03 -.442E-03 0.201E-02
   -.814E-01 -.698E+02 -.425E+02   0.846E-01 0.695E+02 0.434E+02   -.367E-02 0.318E+00 -.856E+00   0.568E-04 -.607E-03 -.186E-02
   0.632E+01 0.977E+02 -.963E+02   -.638E+01 -.990E+02 0.977E+02   0.597E-01 0.127E+01 -.141E+01   0.218E-03 -.219E-04 0.579E-03
   -.281E-01 0.876E-02 0.530E-02   0.280E-01 -.858E-02 -.546E-02   0.606E-03 -.447E-03 0.301E-03   -.939E-04 0.145E-04 -.230E-04
   -.630E+01 -.977E+02 0.963E+02   0.636E+01 0.990E+02 -.977E+02   -.597E-01 -.127E+01 0.141E+01   -.134E-03 -.298E-04 -.514E-03
   -.317E+01 -.146E+03 -.685E+01   0.327E+01 0.148E+03 0.666E+01   -.941E-01 -.127E+01 0.188E+00   0.292E-03 0.366E-03 -.202E-02
   0.821E-01 0.698E+02 0.425E+02   -.853E-01 -.695E+02 -.434E+02   0.358E-02 -.318E+00 0.856E+00   -.658E-04 0.736E-03 0.189E-02
   0.932E-02 0.383E-02 -.211E-02   -.909E-02 -.364E-02 0.220E-02   -.313E-03 -.160E-03 -.505E-04   0.114E-05 0.510E-05 -.135E-05
   0.923E+00 0.941E+01 -.280E+02   -.929E+00 -.923E+01 0.279E+02   0.575E-02 -.182E+00 0.973E-01   0.209E-05 0.745E-04 0.518E-04
   -.937E+00 -.940E+01 0.280E+02   0.943E+00 0.922E+01 -.279E+02   -.552E-02 0.182E+00 -.974E-01   -.620E-05 -.891E-04 -.550E-04
   0.728E+00 -.928E+01 -.204E+02   -.685E+00 0.932E+01 0.201E+02   -.418E-01 -.419E-01 0.273E+00   -.380E-04 -.910E-04 0.152E-03
   -.170E+01 -.621E+02 0.456E+01   0.169E+01 0.620E+02 -.481E+01   0.542E-02 0.632E-01 0.243E+00   0.124E-04 -.322E-04 0.316E-03
   -.728E+00 0.930E+01 0.204E+02   0.686E+00 -.935E+01 -.201E+02   0.418E-01 0.417E-01 -.273E+00   0.391E-04 0.900E-04 -.148E-03
   0.170E+01 0.621E+02 -.456E+01   -.169E+01 -.620E+02 0.481E+01   -.549E-02 -.631E-01 -.243E+00   -.187E-04 0.328E-04 -.322E-03
 -----------------------------------------------------------------------------------------------
   0.469E-04 -.221E-03 -.193E-03   0.622E-14 -.639E-13 0.728E-13   -.875E-04 0.125E-02 0.152E-04   0.642E-04 -.123E-04 0.507E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06971      6.36140      7.89088         0.000651     -0.002433     -0.000966
     -2.90929      8.15802      4.54591        -0.000388      0.002481      0.000996
     -1.04312      1.16672      4.63276        -0.000484     -0.005343     -0.002100
     -2.90156      5.24132      2.40147        -0.000416     -0.001893     -0.005756
      1.19311      1.83174      0.31844        -0.001210      0.003286     -0.005183
     -3.08448      2.93341      5.68505         0.000483     -0.000317      0.000122
     -0.94190      4.03471      4.03766         0.001060     -0.003160      0.004900
     -1.02626      4.59867      6.87984         0.000078      0.005608      0.002132
      3.15277      0.62543      1.95468         0.000299      0.001721      0.005896
     -5.03905      7.31035      6.14716        -0.000083     -0.000028      0.000048
     -0.84852      3.63433      1.26208         0.000052      0.000390     -0.003137
      1.09956      2.23248      3.09400        -0.000019     -0.000199      0.003263
     -0.84954      6.70483      3.45942         0.000660      0.000105     -0.001325
     -2.99610      5.53481      5.14263         0.001126     -0.003013     -0.002935
     -2.80885      7.91590      1.82096        -0.000678     -0.000259      0.001225
      0.92672      0.23059      6.36994        -0.001130      0.003057      0.002819
 -----------------------------------------------------------------------------------
    total drift:                                0.000024      0.001014     -0.000127


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87791586 eV

  energy  without entropy=      -49.88283655  energy(sigma->0) =      -49.87955609
 
 d Force = 0.5130665E-04[ 0.807E-05, 0.945E-04]  d Energy = 0.5587171E-04-0.457E-05
 d Force =-0.1046472E+00[-0.106E+00,-0.103E+00]  d Ewald  =-0.3436038E+00 0.239E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.74
     LOOP+:  cpu time  131.09: real time  131.79


----------------------------------------- Iteration   18(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.60: real time   15.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.36: real time   17.43

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.1778396E-03  (-0.1428553E-01)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0381103 magnetization 

 Broyden mixing:
  rms(total) = 0.10465E-01    rms(broyden)= 0.10464E-01
  rms(prec ) = 0.14368E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.98579899
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.50084346
  PAW double counting   =      9486.53620528    -9414.50112420
  entropy T*S    EENTRO =         0.00488983
  eigenvalues    EBANDS =      -337.93526577
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87809375 eV

  energy without entropy =      -49.88298359  energy(sigma->0) =      -49.87972370


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   2)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.76: real time   17.86
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.51: real time   19.64

 eigenvalue-minimisa     EDDAV:  cpu time   18.94: real time   19.10
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.71: real time   22.42

 eigenvalue-minimisations  :  8736
 total energy-change (2. order) : 0.1345543E-06  (-0.4460008E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0512133 magnetization 

 Broyden mixing:
  rms(total) = 0.47272E-03    rms(broyden)= 0.47264E-03
  rms(prec ) = 0.51308E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5229
  2.5282  2.1376  0.8261  1.1119  1.0107

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.27522137
  Ewald energy   TEWEN  =     -8357.68545011
  -1/2 Hartree   DENC   =     -1869.75121527
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46759696
  PAW double counting   =      9486.59393100    -9414.55527295
  entropy T*S    EENTRO =         0.00518405
  eigenvalues    EBANDS =      -338.43698432
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87741395 eV

  energy without entropy =      -49.88259800  energ     EDDAV:  cpu time   21.51: real time   21.60
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   23.23: real time   23.34

 eigenvalue-minimisations  : 10304
 total energy-change (2. order) : 0.2888729E-04  (-0.1466154E-04)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0515490 magnetization 

 Broyden mixing:
  rms(total) = 0.30111E-02    rms(broyden)= 0.30109E-02
  rms(prec ) = 0.36377E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4874
  1.0007  1.9740

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.38763256
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47369407
  PAW double counting   =      9487.28600425    -9415.27025909
  entropy T*S    EENTRO =         0.00485978
  eigenvalues    EBANDS =      -338.48679334
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87797027 eV

  energy without entropy =      -49.88283005  energy(sigma->0) =      -49.87959019
 double counting   =      9486.54435580    -9414.50638503
  entropy T*S    EENTRO =         0.00518400
  eigenvalues    EBANDS =      -338.44017938
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87741380 eV

  energy without entropy =      -49.88259780  energy(sigma->0) =      -49.87914180


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   8)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.56: real time   13.62
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.59: real time   13.68

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) :-0.4056164E-07  (-0.4248337E-08)
 number of electr     EDDAV:  cpu time   17.74: real time   17.82
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.48: real time   19.58

 eigenvalue-minimisations  :  7984
 total energy-change (2. order) : 0.1334292E-04  (-0.3678097E-05)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0520207 magnetization 

 Broyden mixing:
  rms(total) = 0.75626E-03    rms(broyden)= 0.75624E-03
  rms(prec ) = 0.81579E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4359
  2.0876  1.3270  0.8930

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.35838526
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46996735
  PAW double counting   =      9488.08720514    -9416.07268048
  entropy T*S    EENTRO =         0.00485489
  eigenvalues    EBANDS =      -338.51107518
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795692 eV

  energy without entropy =      -49.88281181  energy(sigma->0) =      -49.87957522
d energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7860      2.00000
      4     -39.6516      2.00000
      5     -39.6512      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.9423      2.00000
      9      -0.6496      2.00000
     10      -0.1259      2.00000
     11       0.1739      2.00000
     12       0.2623      2.00000
     13       0.2933      2.00000
     14       0.4398      2.00000
     15       0.5348      2.00000
     16       0.6073      2.00000
     17       0.6333      2.00000
     18       0.6699      2.00000
     19       0.7439      2.00000
     20       0.8950      2.00000
     21       0.9403      2.00000
     22       1.0544      2.00000
     23       1.0980      2.00000
     24       1.1882      2.00000
     25       1.2195      2.00000
     26       1.2824      2.00000
     27       1.3149      2.00000
     28       1.5824      2.00000
     29       1.6543      2.00000
     30       1.7114      2.00000
     31       1.7396      2.00000
     32       1.7898      2.00000
     33       1.9204      2.00000
     34       1.9404      2.00000
     35       2.1481      2.00000
     36       2.1771      2.00000
     37       2.2723      2.00000
     38       2.3171      2.00000
     39       2.4468      2.00000
     40       2.5365      2.00000
     41       2.5876      2.00000
     42       2.6409      2.00000
     43       2.7258      2.00000
     44       2.8666      2.00000
     45       2.8754      2.00000
     46       2.9078      2.00000
     47       3.0025      2.00000
     48       3.0437      2.00000
     49       3.1015      2.00000
     50       3.1333      2.00000
     51       3.3275      2.00000
     52       3.3875      2.00000
     53       3.5013      2.00000
     54       3.5854      2.00000
     55       3.8885      2.00000
     56       4.0753      2.00000
     57       4.2322      2.00000
     58       4.2332      2.00000
     59       4.9523      2.00000
     60       5.6235      2.01674
     61       6.2848     -0.06842
     62       8.1984     -0.00000
     63       8.3004     -0.00000
     64       8.3214     -0.00000
     65       8.9382     -0.00000
     66       9.6697     -0.00000
     67      10.3927     -0.00000
     68      10.7373     -0.00000
     69      11.4859      0.00000
     70      11.7677      0.00000
     71      11.8269      0.00000
     72      12.0641      0.00000
     73      12.2752      0.00000
     74      12.3423      0.00000
     75      12.5204      0.00000
     76      12.7970      0.00000
     77      13.3017      0.00000
     78      13.6604      0.00000
     79      13.7954      0.00000
     80      14.6406      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.6700      2.00000
      9      -0.5718      2.00000
     10      -0.2722      2.00000
     11       0.2656      2.00000
     12       0.2811      2.00000
     13       0.3887      2.00000
     14       0.4662      2.00000
     15       0.6025      2.00000
     16       0.6140      2.00000
     17       0.7318      2.00000
     18       0.8258      2.00000
     19       0.9098      2.00000
     20       0.9359      2.00000
     21       0.9748      2.00000
     22       1.0997      2.00000
     23       1.1171      2.00000
     24       1.1988      2.00000
     25       1.2498      2.00000
     26       1.3525      2.00000
     27       1.3794      2.00000
     28       1.4963      2.00000
     29       1.6279      2.00000
     30       1.6657      2.00000
     31       1.7526      2.00000
     32       1.8233      2.00000
     33       1.8551      2.00000
     34       2.0129      2.00000
     35       2.0315      2.00000
     36       2.1723      2.00000
     37       2.2550      2.00000
     38       2.3603      2.00000
     39       2.4545      2.00000
     40       2.5042      2.00000
     41       2.5656      2.00000
     42       2.6082      2.00000
     43       2.6858      2.00000
     44       2.7366      2.00000
     45       2.8040      2.00000
     46       2.8227      2.00000
     47       2.9262      2.00000
     48       3.0528      2.00000
     49       3.1143      2.00000
     50       3.1982      2.00000
     51       3.2390      2.00000
     52       3.2742      2.00000
     53       3.4187      2.00000
     54       3.6168      2.00000
     55       3.7110      2.00000
     56       3.8501      2.00000
     57       4.0966      2.00000
     58       4.5861      2.00000
     59       5.5150      2.00204
     60       6.2852     -0.06833
     61       6.7932     -0.00000
     62       7.1030     -0.00000
     63       7.7177     -0.00000
     64       8.1699     -0.00000
     65       8.5814     -0.00000
     66       8.7209     -0.00000
     67       9.6428     -0.00000
     68      10.3014     -0.00000
     69      10.6191     -0.00000
     70      10.6695     -0.00000
     71      11.1361     -0.00000
     72      11.7260      0.00000
     73      12.5558      0.00000
     74      12.9484      0.00000
     75      13.2335      0.00000
     76      13.3064      0.00000
     77      13.4805      0.00000
     78      13.8570      0.00000
     79      14.4486      0.00000
     80      14.7206      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0292      2.00000
      9      -0.4117      2.00000
     10      -0.1243      2.00000
     11       0.3212      2.00000
     12       0.4230      2.00000
     13       0.5011      2.00000
     14       0.5883      2.00000
     15       0.6480      2.00000
     16       0.7370      2.00000
     17       0.8409      2.00000
     18       0.9172      2.00000
     19       0.9993      2.00000
     20       1.0435      2.00000
     21       1.0754      2.00000
     22       1.1747      2.00000
     23       1.2275      2.00000
     24       1.2806      2.00000
     25       1.3133      2.00000
     26       1.3601      2.00000
     27       1.4562      2.00000
     28       1.5545      2.00000
     29       1.6048      2.00000
     30       1.7263      2.00000
     31       1.8118      2.00000
     32       1.8606      2.00000
     33       1.9591      2.00000
     34       2.0175      2.00000
     35       2.1085      2.00000
     36       2.1257      2.00000
     37       2.1890      2.00000
     38       2.2538      2.00000
     39       2.3101      2.00000
     40       2.4024      2.00000
     41       2.4908      2.00000
     42       2.5386      2.00000
     43       2.6562      2.00000
     44       2.6961      2.00000
     45       2.7445      2.00000
     46       2.7948      2.00000
     47       2.8417      2.00000
     48       2.9270      2.00000
     49       3.0145      2.00000
     50       3.1007      2.00000
     51       3.1444      2.00000
     52       3.2384      2.00000
     53       3.3668      2.00000
     54       3.4577      2.00000
     55       3.5819      2.00000
     56       3.8221      2.00000
     57       4.6154      2.00000
     58       5.0063      2.00000
     59       5.4491      2.00041
     60       5.7836      2.07041
     61       6.4840     -0.00505
     62       6.8394     -0.00000
     63       6.9890     -0.00000
     64       7.5341     -0.00000
     65       7.9958     -0.00000
     66       8.3423     -0.00000
     67       8.6973     -0.00000
     68       9.4280     -0.00000
     69       9.8073     -0.00000
     70      10.3610     -0.00000
     71      10.4762     -0.00000
     72      10.7937     -0.00000
     73      11.4063     -0.00000
     74      12.1902      0.00000
     75      13.1286      0.00000
     76      13.7004      0.00000
     77      13.7616      0.00000
     78      13.8917      0.00000
     79      14.2833      0.00000
     80      14.6983      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3876      2.00000
      9      -0.1087      2.00000
     10       0.0928      2.00000
     11       0.1657      2.00000
     12       0.4867      2.00000
     13       0.5089      2.00000
     14       0.5613      2.00000
     15       0.6361      2.00000
     16       0.8276      2.00000
     17       0.9203      2.00000
     18       0.9340      2.00000
     19       1.1122      2.00000
     20       1.1682      2.00000
     21       1.1852      2.00000
     22       1.2716      2.00000
     23       1.3715      2.00000
     24       1.3925      2.00000
     25       1.4091      2.00000
     26       1.4779      2.00000
     27       1.5163      2.00000
     28       1.6473      2.00000
     29       1.6842      2.00000
     30       1.7364      2.00000
     31       1.8034      2.00000
     32       1.9119      2.00000
     33       1.9557      2.00000
     34       2.0640      2.00000
     35       2.1453      2.00000
     36       2.1626      2.00000
     37       2.1857      2.00000
     38       2.2818      2.00000
     39       2.3167      2.00000
     40       2.3720      2.00000
     41       2.4658      2.00000
     42       2.4807      2.00000
     43       2.5520      2.00000
     44       2.6421      2.00000
     45       2.6755      2.00000
     46       2.7606      2.00000
     47       2.8022      2.00000
     48       2.8400      2.00000
     49       2.9250      2.00000
     50       3.0636      2.00000
     51       3.1637      2.00000
     52       3.2733      2.00000
     53       3.3668      2.00000
     54       3.5574      2.00000
     55       3.6436      2.00000
     56       3.8235      2.00000
     57       4.1470      2.00000
     58       4.2979      2.00000
     59       5.1367      2.00000
     60       5.8649      1.96872
     61       6.0582      0.68797
     62       6.1735      0.03932
     63       6.8188     -0.00000
     64       7.0772     -0.00000
     65       7.6712     -0.00000
     66       8.2271     -0.00000
     67       8.4933     -0.00000
     68       8.8354     -0.00000
     69       9.4883     -0.00000
     70       9.7783     -0.00000
     71      10.5321     -0.00000
     72      10.9699     -0.00000
     73      11.1357     -0.00000
     74      11.7865      0.00000
     75      12.2819      0.00000
     76      12.7709      0.00000
     77      13.4158      0.00000
     78      13.7849      0.00000
     79      13.9694      0.00000
     80      14.6534      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9176      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4427      2.00000
      9      -0.1781      2.00000
     10       0.0391      2.00000
     11       0.1397      2.00000
     12       0.5034      2.00000
     13       0.5288      2.00000
     14       0.7049      2.00000
     15       0.7414      2.00000
     16       0.8752      2.00000
     17       0.9154      2.00000
     18       0.9910      2.00000
     19       1.0681      2.00000
     20       1.0885      2.00000
     21       1.2428      2.00000
     22       1.2832      2.00000
     23       1.3296      2.00000
     24       1.3866      2.00000
     25       1.3938      2.00000
     26       1.4466      2.00000
     27       1.4954      2.00000
     28       1.6714      2.00000
     29       1.7036      2.00000
     30       1.7459      2.00000
     31       1.8056      2.00000
     32       1.8773      2.00000
     33       1.9078      2.00000
     34       2.0439      2.00000
     35       2.0826      2.00000
     36       2.1459      2.00000
     37       2.1636      2.00000
     38       2.2319      2.00000
     39       2.3404      2.00000
     40       2.4424      2.00000
     41       2.4639      2.00000
     42       2.5433      2.00000
     43       2.5852      2.00000
     44       2.6258      2.00000
     45       2.6805      2.00000
     46       2.7366      2.00000
     47       2.8078      2.00000
     48       2.8508      2.00000
     49       2.9126      2.00000
     50       3.0992      2.00000
     51       3.1837      2.00000
     52       3.2080      2.00000
     53       3.5208      2.00000
     54       3.5539      2.00000
     55       3.7448      2.00000
     56       4.2057      2.00000
     57       4.3917      2.00000
     58       4.5669      2.00000
     59       4.7201      2.00000
     60       5.1911      2.00000
     61       5.6185      2.01543
     62       6.0856      0.48116
     63       6.1064      0.34314
     64       7.1116     -0.00000
     65       8.2664     -0.00000
     66       8.3966     -0.00000
     67       8.9093     -0.00000
     68       9.1578     -0.00000
     69       9.2554     -0.00000
     70       9.9650     -0.00000
     71      10.4716     -0.00000
     72      10.6052     -0.00000
     73      11.3646     -0.00000
     74      11.9252      0.00000
     75      12.5812      0.00000
     76      13.1571      0.00000
     77      13.5258      0.00000
     78      13.8799      0.00000
     79      14.1333      0.00000
     80      14.4645      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.1603      2.00000
      9      -0.4791      2.00000
     10       0.0257      2.00000
     11       0.1496      2.00000
     12       0.5212      2.00000
     13       0.5893      2.00000
     14       0.6538      2.00000
     15       0.6906      2.00000
     16       0.8201      2.00000
     17       0.8374      2.00000
     18       0.8716      2.00000
     19       0.9601      2.00000
     20       1.0877      2.00000
     21       1.1298      2.00000
     22       1.1871      2.00000
     23       1.2107      2.00000
     24       1.3062      2.00000
     25       1.3392      2.00000
     26       1.3954      2.00000
     27       1.4442      2.00000
     28       1.4792      2.00000
     29       1.6403      2.00000
     30       1.7374      2.00000
     31       1.7629      2.00000
     32       1.8418      2.00000
     33       1.9029      2.00000
     34       1.9630      2.00000
     35       2.0591      2.00000
     36       2.1606      2.00000
     37       2.2259      2.00000
     38       2.2973      2.00000
     39       2.3628      2.00000
     40       2.4407      2.00000
     41       2.5199      2.00000
     42       2.5574      2.00000
     43       2.6067      2.00000
     44       2.6569      2.00000
     45       2.7700      2.00000
     46       2.7946      2.00000
     47       2.8789      2.00000
     48       2.8890      2.00000
     49       3.0469      2.00000
     50       3.0924      2.00000
     51       3.1384      2.00000
     52       3.2127      2.00000
     53       3.3235      2.00000
     54       3.5308      2.00000
     55       3.7004      2.00000
     56       4.1011      2.00000
     57       4.4590      2.00000
     58       4.8458      2.00000
     59       5.4990      2.00141
     60       5.7007      2.04614
     61       6.0859      0.47918
     62       6.3622     -0.03640
     63       6.9749     -0.00000
     64       7.1820     -0.00000
     65       7.5844     -0.00000
     66       8.2261     -0.00000
     67       8.9852     -0.00000
     68       9.2572     -0.00000
     69      10.2486     -0.00000
     70      11.0523     -0.00000
     71      11.3112     -0.00000
     72      11.6889      0.00000
     73      12.1226      0.00000
     74      12.3695      0.00000
     75      12.7933      0.00000
     76      13.4255      0.00000
     77      13.6359      0.00000
     78      13.9071      0.00000
     79      14.2962      0.00000
     80      14.4209      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.7542      2.00000
      9      -0.6342      2.00000
     10       0.0417      2.00000
     11       0.1821      2.00000
     12       0.3302      2.00000
     13       0.3436      2.00000
     14       0.4062      2.00000
     15       0.6267      2.00000
     16       0.6475      2.00000
     17       0.7342      2.00000
     18       0.8133      2.00000
     19       0.8850      2.00000
     20       0.9086      2.00000
     21       1.0617      2.00000
     22       1.0660      2.00000
     23       1.1504      2.00000
     24       1.2186      2.00000
     25       1.2792      2.00000
     26       1.3025      2.00000
     27       1.3323      2.00000
     28       1.4635      2.00000
     29       1.6624      2.00000
     30       1.6820      2.00000
     31       1.7707      2.00000
     32       1.8297      2.00000
     33       1.9008      2.00000
     34       1.9270      2.00000
     35       2.0809      2.00000
     36       2.1584      2.00000
     37       2.2828      2.00000
     38       2.3334      2.00000
     39       2.3823      2.00000
     40       2.4871      2.00000
     41       2.5242      2.00000
     42       2.6194      2.00000
     43       2.7405      2.00000
     44       2.7964      2.00000
     45       2.8269      2.00000
     46       2.8727      2.00000
     47       2.9358      2.00000
     48       3.0247      2.00000
     49       3.0932      2.00000
     50       3.1243      2.00000
     51       3.2121      2.00000
     52       3.2685      2.00000
     53       3.4376      2.00000
     54       3.6779      2.00000
     55       3.7896      2.00000
     56       3.9494      2.00000
     57       4.1256      2.00000
     58       4.8625      2.00000
     59       5.0468      2.00000
     60       5.5605      2.00538
     61       6.7276     -0.00001
     62       7.1790     -0.00000
     63       7.7285     -0.00000
     64       8.2281     -0.00000
     65       8.7076     -0.00000
     66       8.9770     -0.00000
     67       9.3921     -0.00000
     68      10.1931     -0.00000
     69      10.7697     -0.00000
     70      10.8377     -0.00000
     71      11.4242     -0.00000
     72      12.4781      0.00000
     73      12.8971      0.00000
     74      13.0679      0.00000
     75      13.2713      0.00000
     76      13.4477      0.00000
     77      13.8149      0.00000
     78      13.8855      0.00000
     79      14.3090      0.00000
     80      14.4277      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9150      2.00000
      3     -39.7860      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.8612      2.00000
      9      -0.8975      2.00000
     10      -0.0288      2.00000
     11       0.1675      2.00000
     12       0.2095      2.00000
     13       0.2953      2.00000
     14       0.4328      2.00000
     15       0.5817      2.00000
     16       0.6122      2.00000
     17       0.6231      2.00000
     18       0.6871      2.00000
     19       0.7740      2.00000
     20       0.8424      2.00000
     21       0.9333      2.00000
     22       1.0380      2.00000
     23       1.0801      2.00000
     24       1.2492      2.00000
     25       1.3015      2.00000
     26       1.3957      2.00000
     27       1.4196      2.00000
     28       1.5882      2.00000
     29       1.6073      2.00000
     30       1.6486      2.00000
     31       1.7029      2.00000
     32       1.8057      2.00000
     33       1.8863      2.00000
     34       1.9444      2.00000
     35       2.1657      2.00000
     36       2.2263      2.00000
     37       2.2286      2.00000
     38       2.2942      2.00000
     39       2.4445      2.00000
     40       2.5002      2.00000
     41       2.6181      2.00000
     42       2.6607      2.00000
     43       2.6708      2.00000
     44       2.8216      2.00000
     45       2.8393      2.00000
     46       2.8828      2.00000
     47       2.9077      2.00000
     48       3.0607      2.00000
     49       3.1096      2.00000
     50       3.1506      2.00000
     51       3.3191      2.00000
     52       3.3681      2.00000
     53       3.4569      2.00000
     54       3.6336      2.00000
     55       3.9533      2.00000
     56       4.2249      2.00000
     57       4.2344      2.00000
     58       4.3501      2.00000
     59       4.8990      2.00000
     60       6.2838     -0.06867
     61       6.4956     -0.00398
     62       6.9187     -0.00000
     63       7.2093     -0.00000
     64       8.8165     -0.00000
     65       9.5484     -0.00000
     66       9.7181     -0.00000
     67       9.8957     -0.00000
     68      10.9836     -0.00000
     69      11.2022     -0.00000
     70      11.2964     -0.00000
     71      11.4628     -0.00000
     72      12.3154      0.00000
     73      12.6931      0.00000
     74      13.1358      0.00000
     75      13.3997      0.00000
     76      13.5207      0.00000
     77      13.8223      0.00000
     78      13.9986      0.00000
     79      14.2762      0.00000
     80      14.5304      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.5804      2.00000
      9      -0.8176      2.00000
     10      -0.1461      2.00000
     11       0.2276      2.00000
     12       0.2681      2.00000
     13       0.4240      2.00000
     14       0.5049      2.00000
     15       0.5778      2.00000
     16       0.6207      2.00000
     17       0.6880      2.00000
     18       0.7865      2.00000
     19       0.8857      2.00000
     20       0.9583      2.00000
     21       0.9839      2.00000
     22       1.0522      2.00000
     23       1.1550      2.00000
     24       1.2174      2.00000
     25       1.2929      2.00000
     26       1.3696      2.00000
     27       1.4005      2.00000
     28       1.5317      2.00000
     29       1.5640      2.00000
     30       1.6198      2.00000
     31       1.6712      2.00000
     32       1.8884      2.00000
     33       1.9685      2.00000
     34       2.0205      2.00000
     35       2.1596      2.00000
     36       2.1850      2.00000
     37       2.2672      2.00000
     38       2.3162      2.00000
     39       2.3632      2.00000
     40       2.3883      2.00000
     41       2.4464      2.00000
     42       2.6528      2.00000
     43       2.6713      2.00000
     44       2.7752      2.00000
     45       2.7929      2.00000
     46       2.8418      2.00000
     47       2.9824      2.00000
     48       3.0098      2.00000
     49       3.1183      2.00000
     50       3.1762      2.00000
     51       3.1897      2.00000
     52       3.3087      2.00000
     53       3.4569      2.00000
     54       3.6451      2.00000
     55       3.7020      2.00000
     56       3.8907      2.00000
     57       4.4392      2.00000
     58       4.9033      2.00000
     59       5.5495      2.00431
     60       5.8555      1.99274
     61       6.5067     -0.00315
     62       7.0426     -0.00000
     63       7.5221     -0.00000
     64       8.0677     -0.00000
     65       8.3161     -0.00000
     66       8.9215     -0.00000
     67       9.4102     -0.00000
     68       9.6737     -0.00000
     69      10.4612     -0.00000
     70      12.0120      0.00000
     71      12.3053      0.00000
     72      12.3984      0.00000
     73      12.5630      0.00000
     74      12.7249      0.00000
     75      12.8510      0.00000
     76      13.3184      0.00000
     77      13.6049      0.00000
     78      13.9254      0.00000
     79      14.0043      0.00000
     80      14.4196      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0245      2.00000
      9      -0.3861      2.00000
     10      -0.1331      2.00000
     11       0.3215      2.00000
     12       0.3992      2.00000
     13       0.4957      2.00000
     14       0.5340      2.00000
     15       0.6730      2.00000
     16       0.7803      2.00000
     17       0.8152      2.00000
     18       0.9344      2.00000
     19       0.9425      2.00000
     20       1.0264      2.00000
     21       1.0735      2.00000
     22       1.1635      2.00000
     23       1.2183      2.00000
     24       1.3052      2.00000
     25       1.3514      2.00000
     26       1.4119      2.00000
     27       1.4756      2.00000
     28       1.5471      2.00000
     29       1.6131      2.00000
     30       1.7512      2.00000
     31       1.8240      2.00000
     32       1.8855      2.00000
     33       1.9252      2.00000
     34       1.9892      2.00000
     35       2.0401      2.00000
     36       2.0819      2.00000
     37       2.1389      2.00000
     38       2.2161      2.00000
     39       2.3089      2.00000
     40       2.4644      2.00000
     41       2.5025      2.00000
     42       2.5643      2.00000
     43       2.6213      2.00000
     44       2.6798      2.00000
     45       2.7963      2.00000
     46       2.8236      2.00000
     47       2.8754      2.00000
     48       2.9229      2.00000
     49       2.9733      2.00000
     50       3.0836      2.00000
     51       3.1715      2.00000
     52       3.2476      2.00000
     53       3.2842      2.00000
     54       3.4720      2.00000
     55       3.6083      2.00000
     56       4.0076      2.00000
     57       4.4769      2.00000
     58       5.2548      2.00000
     59       5.6811      2.03727
     60       5.8973      1.85471
     61       6.2931     -0.06612
     62       6.5270     -0.00201
     63       6.6997     -0.00002
     64       7.4435     -0.00000
     65       7.6907     -0.00000
     66       8.1053     -0.00000
     67       9.1361     -0.00000
     68       9.8301     -0.00000
     69       9.9535     -0.00000
     70      10.1204     -0.00000
     71      11.1044     -0.00000
     72      11.1935     -0.00000
     73      11.7651      0.00000
     74      12.0699      0.00000
     75      12.4230      0.00000
     76      12.7746      0.00000
     77      13.2934      0.00000
     78      13.6800      0.00000
     79      14.0694      0.00000
     80      14.4171      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3886      2.00000
      9      -0.0849      2.00000
     10       0.0707      2.00000
     11       0.1470      2.00000
     12       0.4136      2.00000
     13       0.5195      2.00000
     14       0.6060      2.00000
     15       0.7149      2.00000
     16       0.8516      2.00000
     17       0.9049      2.00000
     18       0.9147      2.00000
     19       1.0960      2.00000
     20       1.1513      2.00000
     21       1.1829      2.00000
     22       1.2476      2.00000
     23       1.3143      2.00000
     24       1.3992      2.00000
     25       1.4609      2.00000
     26       1.4927      2.00000
     27       1.5973      2.00000
     28       1.6673      2.00000
     29       1.7131      2.00000
     30       1.7306      2.00000
     31       1.8366      2.00000
     32       1.8790      2.00000
     33       1.9584      2.00000
     34       1.9819      2.00000
     35       2.0730      2.00000
     36       2.1207      2.00000
     37       2.2342      2.00000
     38       2.3024      2.00000
     39       2.3472      2.00000
     40       2.3884      2.00000
     41       2.4559      2.00000
     42       2.5136      2.00000
     43       2.5262      2.00000
     44       2.6271      2.00000
     45       2.6921      2.00000
     46       2.7288      2.00000
     47       2.7935      2.00000
     48       2.8456      2.00000
     49       2.8733      2.00000
     50       3.0699      2.00000
     51       3.1408      2.00000
     52       3.2711      2.00000
     53       3.3263      2.00000
     54       3.4815      2.00000
     55       3.5892      2.00000
     56       3.7312      2.00000
     57       4.4124      2.00000
     58       4.7766      2.00000
     59       5.1320      2.00000
     60       5.6621      2.02943
     61       5.9454      1.58955
     62       6.2131     -0.04144
     63       6.5186     -0.00242
     64       6.7298     -0.00001
     65       7.7457     -0.00000
     66       8.0531     -0.00000
     67       8.5179     -0.00000
     68       9.3124     -0.00000
     69       9.7502     -0.00000
     70      10.1757     -0.00000
     71      10.8659     -0.00000
     72      10.9784     -0.00000
     73      11.3764     -0.00000
     74      11.5939      0.00000
     75      12.1268      0.00000
     76      12.4622      0.00000
     77      13.1269      0.00000
     78      13.4258      0.00000
     79      14.0310      0.00000
     80      14.2874      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7853      2.00000
      4     -39.6513      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5967      2.00000
      8      -0.4398      2.00000
      9      -0.1528      2.00000
     10      -0.0386      2.00000
     11       0.1378      2.00000
     12       0.5497      2.00000
     13       0.6664      2.00000
     14       0.7013      2.00000
     15       0.7300      2.00000
     16       0.7973      2.00000
     17       0.8854      2.00000
     18       0.9541      2.00000
     19       1.0840      2.00000
     20       1.1037      2.00000
     21       1.1381      2.00000
     22       1.2625      2.00000
     23       1.3371      2.00000
     24       1.3677      2.00000
     25       1.3903      2.00000
     26       1.5439      2.00000
     27       1.5834      2.00000
     28       1.6671      2.00000
     29       1.7155      2.00000
     30       1.7619      2.00000
     31       1.8152      2.00000
     32       1.8586      2.00000
     33       1.9623      2.00000
     34       2.0010      2.00000
     35       2.0929      2.00000
     36       2.1612      2.00000
     37       2.2407      2.00000
     38       2.3270      2.00000
     39       2.3394      2.00000
     40       2.4492      2.00000
     41       2.4692      2.00000
     42       2.4955      2.00000
     43       2.5211      2.00000
     44       2.5654      2.00000
     45       2.5796      2.00000
     46       2.7238      2.00000
     47       2.7563      2.00000
     48       2.8141      2.00000
     49       2.8829      2.00000
     50       3.1272      2.00000
     51       3.1619      2.00000
     52       3.2893      2.00000
     53       3.5111      2.00000
     54       3.5734      2.00000
     55       3.6470      2.00000
     56       4.0680      2.00000
     57       4.4086      2.00000
     58       4.5153      2.00000
     59       5.0037      2.00000
     60       5.1509      2.00000
     61       5.8145      2.05606
     62       6.1468      0.13343
     63       6.5125     -0.00277
     64       7.1549     -0.00000
     65       7.2558     -0.00000
     66       7.7703     -0.00000
     67       8.3331     -0.00000
     68       9.5559     -0.00000
     69       9.9831     -0.00000
     70      10.5773     -0.00000
     71      11.0009     -0.00000
     72      11.2541     -0.00000
     73      11.7960      0.00000
     74      12.0386      0.00000
     75      12.2665      0.00000
     76      12.8863      0.00000
     77      13.1488      0.00000
     78      13.3244      0.00000
     79      14.1439      0.00000
     80      14.3396      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.2061      2.00000
      9      -0.3442      2.00000
     10      -0.0764      2.00000
     11       0.1079      2.00000
     12       0.5496      2.00000
     13       0.5740      2.00000
     14       0.6412      2.00000
     15       0.7163      2.00000
     16       0.8467      2.00000
     17       0.8771      2.00000
     18       0.9459      2.00000
     19       1.0069      2.00000
     20       1.0840      2.00000
     21       1.1102      2.00000
     22       1.1729      2.00000
     23       1.2437      2.00000
     24       1.2609      2.00000
     25       1.3182      2.00000
     26       1.3846      2.00000
     27       1.3942      2.00000
     28       1.5508      2.00000
     29       1.6754      2.00000
     30       1.7015      2.00000
     31       1.8127      2.00000
     32       1.8841      2.00000
     33       1.9333      2.00000
     34       2.0073      2.00000
     35       2.0200      2.00000
     36       2.0579      2.00000
     37       2.1621      2.00000
     38       2.2031      2.00000
     39       2.3964      2.00000
     40       2.4408      2.00000
     41       2.4942      2.00000
     42       2.5410      2.00000
     43       2.6164      2.00000
     44       2.6592      2.00000
     45       2.7686      2.00000
     46       2.8546      2.00000
     47       2.8842      2.00000
     48       2.9226      2.00000
     49       3.0224      2.00000
     50       3.0546      2.00000
     51       3.1043      2.00000
     52       3.1916      2.00000
     53       3.2854      2.00000
     54       3.5256      2.00000
     55       3.6527      2.00000
     56       4.0035      2.00000
     57       4.3375      2.00000
     58       5.3203      2.00001
     59       5.4744      2.00078
     60       5.6691      2.03219
     61       5.8427      2.01912
     62       6.6346     -0.00013
     63       6.9561     -0.00000
     64       7.4574     -0.00000
     65       7.8360     -0.00000
     66       7.9006     -0.00000
     67       8.4517     -0.00000
     68       9.7056     -0.00000
     69       9.9888     -0.00000
     70      10.4272     -0.00000
     71      11.7497      0.00000
     72      12.2437      0.00000
     73      12.5677      0.00000
     74      12.8873      0.00000
     75      13.0924      0.00000
     76      13.3982      0.00000
     77      13.4562      0.00000
     78      13.5429      0.00000
     79      13.8955      0.00000
     80      14.1046      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.7411      2.00000
      9      -0.6705      2.00000
     10       0.0131      2.00000
     11       0.2345      2.00000
     12       0.3205      2.00000
     13       0.3484      2.00000
     14       0.4044      2.00000
     15       0.6281      2.00000
     16       0.6436      2.00000
     17       0.7186      2.00000
     18       0.8106      2.00000
     19       0.8765      2.00000
     20       0.9558      2.00000
     21       1.0185      2.00000
     22       1.0854      2.00000
     23       1.1537      2.00000
     24       1.2301      2.00000
     25       1.2607      2.00000
     26       1.3335      2.00000
     27       1.4003      2.00000
     28       1.4404      2.00000
     29       1.6064      2.00000
     30       1.6793      2.00000
     31       1.7235      2.00000
     32       1.8240      2.00000
     33       1.8765      2.00000
     34       1.9582      2.00000
     35       2.1298      2.00000
     36       2.1949      2.00000
     37       2.2556      2.00000
     38       2.3112      2.00000
     39       2.3971      2.00000
     40       2.5156      2.00000
     41       2.5383      2.00000
     42       2.6112      2.00000
     43       2.7217      2.00000
     44       2.7603      2.00000
     45       2.8043      2.00000
     46       2.8832      2.00000
     47       2.9649      2.00000
     48       2.9965      2.00000
     49       3.1208      2.00000
     50       3.1598      2.00000
     51       3.2095      2.00000
     52       3.2895      2.00000
     53       3.4332      2.00000
     54       3.6293      2.00000
     55       3.7785      2.00000
     56       3.9515      2.00000
     57       4.1600      2.00000
     58       4.5080      2.00000
     59       5.2838      2.00000
     60       6.0567      0.70002
     61       6.5895     -0.00043
     62       6.9941     -0.00000
     63       7.7955     -0.00000
     64       8.0678     -0.00000
     65       8.3349     -0.00000
     66       8.7193     -0.00000
     67       9.6881     -0.00000
     68      10.4588     -0.00000
     69      10.9110     -0.00000
     70      11.0357     -0.00000
     71      11.3067     -0.00000
     72      12.5066      0.00000
     73      12.8861      0.00000
     74      13.0373      0.00000
     75      13.1618      0.00000
     76      13.5032      0.00000
     77      13.5987      0.00000
     78      13.9484      0.00000
     79      14.3575      0.00000
     80      14.4800      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9150      2.00000
      3     -39.7859      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6055      2.00000
      7     -39.5907      2.00000
      8      -1.8535      2.00000
      9      -0.9342      2.00000
     10       0.0407      2.00000
     11       0.1744      2.00000
     12       0.2080      2.00000
     13       0.2899      2.00000
     14       0.4258      2.00000
     15       0.5938      2.00000
     16       0.6115      2.00000
     17       0.6233      2.00000
     18       0.6893      2.00000
     19       0.7225      2.00000
     20       0.8416      2.00000
     21       0.9476      2.00000
     22       1.0903      2.00000
     23       1.1030      2.00000
     24       1.1994      2.00000
     25       1.2706      2.00000
     26       1.3527      2.00000
     27       1.3660      2.00000
     28       1.5479      2.00000
     29       1.6510      2.00000
     30       1.6934      2.00000
     31       1.7098      2.00000
     32       1.8011      2.00000
     33       1.8674      2.00000
     34       1.8982      2.00000
     35       2.1232      2.00000
     36       2.2161      2.00000
     37       2.2551      2.00000
     38       2.3849      2.00000
     39       2.4325      2.00000
     40       2.5231      2.00000
     41       2.5944      2.00000
     42       2.6225      2.00000
     43       2.6802      2.00000
     44       2.8462      2.00000
     45       2.8695      2.00000
     46       2.9860      2.00000
     47       3.0470      2.00000
     48       3.0557      2.00000
     49       3.1281      2.00000
     50       3.1904      2.00000
     51       3.2823      2.00000
     52       3.3119      2.00000
     53       3.5400      2.00000
     54       3.6500      2.00000
     55       3.9137      2.00000
     56       3.9428      2.00000
     57       4.2186      2.00000
     58       4.4134      2.00000
     59       5.0019      2.00000
     60       5.5966      2.01065
     61       6.2268     -0.05605
     62       7.7579     -0.00000
     63       8.1790     -0.00000
     64       8.6116     -0.00000
     65       8.6540     -0.00000
     66       9.7729     -0.00000
     67      10.4002     -0.00000
     68      10.5918     -0.00000
     69      10.8111     -0.00000
     70      11.2540     -0.00000
     71      11.7484      0.00000
     72      12.4686      0.00000
     73      12.7333      0.00000
     74      12.8314      0.00000
     75      13.1388      0.00000
     76      13.2408      0.00000
     77      13.6989      0.00000
     78      14.4314      0.00000
     79      14.4879      0.00000
     80      14.5575      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6048      2.00000
      7     -39.5914      2.00000
      8      -1.6524      2.00000
      9      -0.6529      2.00000
     10      -0.2055      2.00000
     11       0.2479      2.00000
     12       0.2946      2.00000
     13       0.4355      2.00000
     14       0.4390      2.00000
     15       0.5931      2.00000
     16       0.6344      2.00000
     17       0.7258      2.00000
     18       0.7824      2.00000
     19       0.8735      2.00000
     20       0.9388      2.00000
     21       0.9845      2.00000
     22       1.0804      2.00000
     23       1.1432      2.00000
     24       1.1791      2.00000
     25       1.2527      2.00000
     26       1.3627      2.00000
     27       1.3763      2.00000
     28       1.4956      2.00000
     29       1.6229      2.00000
     30       1.6439      2.00000
     31       1.7459      2.00000
     32       1.8746      2.00000
     33       1.8977      2.00000
     34       1.9985      2.00000
     35       2.0818      2.00000
     36       2.1805      2.00000
     37       2.2373      2.00000
     38       2.3208      2.00000
     39       2.4006      2.00000
     40       2.4759      2.00000
     41       2.5681      2.00000
     42       2.6330      2.00000
     43       2.7230      2.00000
     44       2.7645      2.00000
     45       2.8225      2.00000
     46       2.8550      2.00000
     47       2.9325      2.00000
     48       3.0226      2.00000
     49       3.0811      2.00000
     50       3.1367      2.00000
     51       3.2301      2.00000
     52       3.2607      2.00000
     53       3.5452      2.00000
     54       3.6712      2.00000
     55       3.7416      2.00000
     56       3.8151      2.00000
     57       4.1012      2.00000
     58       4.9367      2.00000
     59       5.0827      2.00000
     60       5.8214      2.04947
     61       6.8059     -0.00000
     62       7.1847     -0.00000
     63       7.7840     -0.00000
     64       8.6858     -0.00000
     65       8.9472     -0.00000
     66       9.1310     -0.00000
     67       9.4553     -0.00000
     68       9.6294     -0.00000
     69       9.7893     -0.00000
     70      10.9465     -0.00000
     71      11.5608      0.00000
     72      12.1327      0.00000
     73      12.3300      0.00000
     74      12.4777      0.00000
     75      13.1601      0.00000
     76      13.3005      0.00000
     77      13.7032      0.00000
     78      14.0759      0.00000
     79      14.4026      0.00000
     80      14.5369      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.0726      2.00000
      9      -0.2653      2.00000
     10      -0.2109      2.00000
     11       0.2627      2.00000
     12       0.4261      2.00000
     13       0.5263      2.00000
     14       0.5612      2.00000
     15       0.6805      2.00000
     16       0.7923      2.00000
     17       0.8366      2.00000
     18       0.9147      2.00000
     19       1.0060      2.00000
     20       1.0946      2.00000
     21       1.1035      2.00000
     22       1.1479      2.00000
     23       1.1992      2.00000
     24       1.2292      2.00000
     25       1.2759      2.00000
     26       1.3566      2.00000
     27       1.4958      2.00000
     28       1.5819      2.00000
     29       1.6377      2.00000
     30       1.6637      2.00000
     31       1.8201      2.00000
     32       1.8396      2.00000
     33       1.9975      2.00000
     34       2.0081      2.00000
     35       2.0679      2.00000
     36       2.1696      2.00000
     37       2.2052      2.00000
     38       2.2496      2.00000
     39       2.3000      2.00000
     40       2.3762      2.00000
     41       2.5086      2.00000
     42       2.6287      2.00000
     43       2.6564      2.00000
     44       2.7200      2.00000
     45       2.7592      2.00000
     46       2.8055      2.00000
     47       2.8408      2.00000
     48       2.9323      2.00000
     49       2.9539      2.00000
     50       3.0954      2.00000
     51       3.1197      2.00000
     52       3.2096      2.00000
     53       3.4128      2.00000
     54       3.4973      2.00000
     55       3.5875      2.00000
     56       3.6867      2.00000
     57       4.4249      2.00000
     58       4.7945      2.00000
     59       5.4324      2.00026
     60       5.9954      1.21196
     61       6.6029     -0.00030
     62       6.9418     -0.00000
     63       7.0303     -0.00000
     64       7.3343     -0.00000
     65       8.2616     -0.00000
     66       8.5048     -0.00000
     67       8.8323     -0.00000
     68       9.3409     -0.00000
     69       9.9776     -0.00000
     70      10.1835     -0.00000
     71      10.3299     -0.00000
     72      11.0752     -0.00000
     73      11.7786      0.00000
     74      12.1372      0.00000
     75      12.3159      0.00000
     76      12.9700      0.00000
     77      13.7752      0.00000
     78      13.8333      0.00000
     79      14.0862      0.00000
     80      14.2274      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3629      2.00000
      9      -0.1411      2.00000
     10       0.0817      2.00000
     11       0.1478      2.00000
     12       0.4570      2.00000
     13       0.5671      2.00000
     14       0.6369      2.00000
     15       0.6890      2.00000
     16       0.7362      2.00000
     17       0.8944      2.00000
     18       0.9488      2.00000
     19       1.0636      2.00000
     20       1.1484      2.00000
     21       1.1795      2.00000
     22       1.2182      2.00000
     23       1.3234      2.00000
     24       1.3818      2.00000
     25       1.4711      2.00000
     26       1.5373      2.00000
     27       1.5675      2.00000
     28       1.6355      2.00000
     29       1.7139      2.00000
     30       1.7819      2.00000
     31       1.8486      2.00000
     32       1.9081      2.00000
     33       1.9424      2.00000
     34       2.0890      2.00000
     35       2.1464      2.00000
     36       2.1557      2.00000
     37       2.2519      2.00000
     38       2.2631      2.00000
     39       2.3348      2.00000
     40       2.3755      2.00000
     41       2.4192      2.00000
     42       2.5139      2.00000
     43       2.5632      2.00000
     44       2.5966      2.00000
     45       2.6178      2.00000
     46       2.6894      2.00000
     47       2.7708      2.00000
     48       2.7947      2.00000
     49       2.8781      2.00000
     50       3.0720      2.00000
     51       3.1289      2.00000
     52       3.1885      2.00000
     53       3.3671      2.00000
     54       3.5337      2.00000
     55       3.6289      2.00000
     56       3.8865      2.00000
     57       4.3708      2.00000
     58       4.7209      2.00000
     59       5.0995      2.00000
     60       5.6358      2.02027
     61       5.6931      2.04265
     62       6.1973     -0.01686
     63       6.6462     -0.00009
     64       7.0127     -0.00000
     65       7.5032     -0.00000
     66       7.8725     -0.00000
     67       8.9944     -0.00000
     68       9.6024     -0.00000
     69       9.8902     -0.00000
     70      10.0883     -0.00000
     71      10.4730     -0.00000
     72      10.7352     -0.00000
     73      11.0987     -0.00000
     74      11.6180      0.00000
     75      12.2487      0.00000
     76      12.9582      0.00000
     77      13.1858      0.00000
     78      13.9050      0.00000
     79      13.9232      0.00000
     80      14.0600      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9176      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4481      2.00000
      9      -0.1471      2.00000
     10      -0.0100      2.00000
     11       0.1333      2.00000
     12       0.5376      2.00000
     13       0.5753      2.00000
     14       0.6455      2.00000
     15       0.7569      2.00000
     16       0.8640      2.00000
     17       0.9517      2.00000
     18       1.0014      2.00000
     19       1.0516      2.00000
     20       1.1077      2.00000
     21       1.1696      2.00000
     22       1.2250      2.00000
     23       1.3167      2.00000
     24       1.3952      2.00000
     25       1.4715      2.00000
     26       1.5036      2.00000
     27       1.5485      2.00000
     28       1.5988      2.00000
     29       1.7162      2.00000
     30       1.7570      2.00000
     31       1.7958      2.00000
     32       1.8972      2.00000
     33       1.9585      2.00000
     34       1.9729      2.00000
     35       2.0552      2.00000
     36       2.1806      2.00000
     37       2.1929      2.00000
     38       2.2903      2.00000
     39       2.3299      2.00000
     40       2.3573      2.00000
     41       2.4743      2.00000
     42       2.4962      2.00000
     43       2.5848      2.00000
     44       2.6171      2.00000
     45       2.6784      2.00000
     46       2.7687      2.00000
     47       2.8025      2.00000
     48       2.8152      2.00000
     49       2.9023      2.00000
     50       3.1233      2.00000
     51       3.1782      2.00000
     52       3.2328      2.00000
     53       3.5171      2.00000
     54       3.5732      2.00000
     55       3.6849      2.00000
     56       3.8790      2.00000
     57       4.4436      2.00000
     58       4.5853      2.00000
     59       4.9765      2.00000
     60       5.4264      2.00022
     61       5.7598      2.06918
     62       5.8231      2.04762
     63       6.7155     -0.00001
     64       6.9925     -0.00000
     65       7.2859     -0.00000
     66       7.5123     -0.00000
     67       9.0281     -0.00000
     68       9.4117     -0.00000
     69      10.1108     -0.00000
     70      10.5195     -0.00000
     71      10.8615     -0.00000
     72      11.2199     -0.00000
     73      11.4115     -0.00000
     74      11.6811      0.00000
     75      12.0267      0.00000
     76      12.6539      0.00000
     77      13.4644      0.00000
     78      13.5623      0.00000
     79      14.1029      0.00000
     80      14.1502      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9208      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6028      2.00000
      7     -39.5936      2.00000
      8      -1.1345      2.00000
      9      -0.5374      2.00000
     10       0.1073      2.00000
     11       0.1299      2.00000
     12       0.5088      2.00000
     13       0.5857      2.00000
     14       0.6555      2.00000
     15       0.6910      2.00000
     16       0.7986      2.00000
     17       0.8221      2.00000
     18       0.8464      2.00000
     19       0.9385      2.00000
     20       1.0946      2.00000
     21       1.1355      2.00000
     22       1.1774      2.00000
     23       1.2050      2.00000
     24       1.3230      2.00000
     25       1.3625      2.00000
     26       1.4026      2.00000
     27       1.4436      2.00000
     28       1.5137      2.00000
     29       1.5714      2.00000
     30       1.6912      2.00000
     31       1.7370      2.00000
     32       1.8766      2.00000
     33       1.9191      2.00000
     34       1.9756      2.00000
     35       2.1198      2.00000
     36       2.1661      2.00000
     37       2.2421      2.00000
     38       2.2877      2.00000
     39       2.3523      2.00000
     40       2.4262      2.00000
     41       2.5154      2.00000
     42       2.5714      2.00000
     43       2.6597      2.00000
     44       2.6955      2.00000
     45       2.7654      2.00000
     46       2.8094      2.00000
     47       2.8531      2.00000
     48       2.9101      2.00000
     49       2.9621      2.00000
     50       3.0801      2.00000
     51       3.1223      2.00000
     52       3.2085      2.00000
     53       3.3504      2.00000
     54       3.5120      2.00000
     55       3.7018      2.00000
     56       4.1247      2.00000
     57       4.6067      2.00000
     58       4.9801      2.00000
     59       5.3659      2.00004
     60       5.6835      2.03833
     61       6.0259      0.95535
     62       6.2215     -0.05115
     63       6.7042     -0.00001
     64       7.1792     -0.00000
     65       7.6223     -0.00000
     66       8.7394     -0.00000
     67       8.9145     -0.00000
     68       9.3509     -0.00000
     69      10.4074     -0.00000
     70      10.6075     -0.00000
     71      11.0215     -0.00000
     72      11.6351      0.00000
     73      12.2298      0.00000
     74      12.4977      0.00000
     75      12.8261      0.00000
     76      13.3547      0.00000
     77      13.5957      0.00000
     78      14.0788      0.00000
     79      14.2404      0.00000
     80      14.4855      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6048      2.00000
      7     -39.5915      2.00000
      8      -1.6553      2.00000
      9      -0.8906      2.00000
     10       0.1428      2.00000
     11       0.2653      2.00000
     12       0.3151      2.00000
     13       0.3225      2.00000
     14       0.4002      2.00000
     15       0.6257      2.00000
     16       0.6460      2.00000
     17       0.6645      2.00000
     18       0.7501      2.00000
     19       0.8549      2.00000
     20       0.9349      2.00000
     21       1.0564      2.00000
     22       1.1255      2.00000
     23       1.1794      2.00000
     24       1.2202      2.00000
     25       1.2738      2.00000
     26       1.3795      2.00000
     27       1.3917      2.00000
     28       1.4758      2.00000
     29       1.5915      2.00000
     30       1.6911      2.00000
     31       1.7422      2.00000
     32       1.8455      2.00000
     33       1.8553      2.00000
     34       2.0347      2.00000
     35       2.1594      2.00000
     36       2.1912      2.00000
     37       2.2311      2.00000
     38       2.2629      2.00000
     39       2.3684      2.00000
     40       2.4447      2.00000
     41       2.5168      2.00000
     42       2.6255      2.00000
     43       2.6526      2.00000
     44       2.7802      2.00000
     45       2.8308      2.00000
     46       2.8779      2.00000
     47       2.9553      2.00000
     48       2.9851      2.00000
     49       3.1162      2.00000
     50       3.1911      2.00000
     51       3.2056      2.00000
     52       3.2961      2.00000
     53       3.4778      2.00000
     54       3.7147      2.00000
     55       3.9402      2.00000
     56       3.9649      2.00000
     57       4.1993      2.00000
     58       4.6053      2.00000
     59       5.0584      2.00000
     60       5.6521      2.02569
     61       6.7384     -0.00000
     62       7.3372     -0.00000
     63       7.6646     -0.00000
     64       8.2669     -0.00000
     65       8.4713     -0.00000
     66       8.5742     -0.00000
     67       9.0122     -0.00000
     68       9.2328     -0.00000
     69      11.3378     -0.00000
     70      12.1213      0.00000
     71      12.4151      0.00000
     72      12.6541      0.00000
     73      12.8394      0.00000
     74      13.1089      0.00000
     75      13.2869      0.00000
     76      13.5479      0.00000
     77      13.7111      0.00000
     78      13.7837      0.00000
     79      13.8864      0.00000
     80      14.0731      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6571      2.00000
      9      -0.7772      2.00000
     10      -0.6027      2.00000
     11       0.0797      2.00000
     12       0.2667      2.00000
     13       0.3786      2.00000
     14       0.3951      2.00000
     15       0.5509      2.00000
     16       0.6313      2.00000
     17       0.7410      2.00000
     18       0.7438      2.00000
     19       0.8360      2.00000
     20       0.8896      2.00000
     21       0.9240      2.00000
     22       1.0481      2.00000
     23       1.1036      2.00000
     24       1.1338      2.00000
     25       1.2353      2.00000
     26       1.3269      2.00000
     27       1.3549      2.00000
     28       1.4904      2.00000
     29       1.6051      2.00000
     30       1.6160      2.00000
     31       1.7801      2.00000
     32       1.9024      2.00000
     33       1.9054      2.00000
     34       2.0915      2.00000
     35       2.1459      2.00000
     36       2.2267      2.00000
     37       2.3489      2.00000
     38       2.4386      2.00000
     39       2.4654      2.00000
     40       2.4732      2.00000
     41       2.5428      2.00000
     42       2.6190      2.00000
     43       2.6805      2.00000
     44       2.6859      2.00000
     45       2.8180      2.00000
     46       2.8768      2.00000
     47       2.9557      2.00000
     48       2.9784      2.00000
     49       3.1546      2.00000
     50       3.2312      2.00000
     51       3.3185      2.00000
     52       3.3395      2.00000
     53       3.4421      2.00000
     54       3.5319      2.00000
     55       3.7155      2.00000
     56       3.7511      2.00000
     57       3.9844      2.00000
     58       4.2039      2.00000
     59       5.8183      2.05264
     60       7.2687     -0.00000
     61       7.4186     -0.00000
     62       7.4658     -0.00000
     63       7.7607     -0.00000
     64       8.2358     -0.00000
     65       8.7304     -0.00000
     66       9.2676     -0.00000
     67       9.8833     -0.00000
     68      10.4898     -0.00000
     69      10.6556     -0.00000
     70      11.2261     -0.00000
     71      11.2630     -0.00000
     72      11.4278     -0.00000
     73      12.3991      0.00000
     74      12.9865      0.00000
     75      13.1377      0.00000
     76      13.1836      0.00000
     77      13.4106      0.00000
     78      13.8844      0.00000
     79      13.9084      0.00000
     80      14.5925      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3887      2.00000
      9      -0.7707      2.00000
     10      -0.4108      2.00000
     11       0.1207      2.00000
     12       0.1946      2.00000
     13       0.4724      2.00000
     14       0.5399      2.00000
     15       0.6271      2.00000
     16       0.6468      2.00000
     17       0.7480      2.00000
     18       0.7607      2.00000
     19       0.9184      2.00000
     20       0.9590      2.00000
     21       0.9919      2.00000
     22       0.9976      2.00000
     23       1.1028      2.00000
     24       1.1677      2.00000
     25       1.1904      2.00000
     26       1.3331      2.00000
     27       1.3531      2.00000
     28       1.5604      2.00000
     29       1.6173      2.00000
     30       1.7314      2.00000
     31       1.7679      2.00000
     32       1.8299      2.00000
     33       1.9621      2.00000
     34       2.0202      2.00000
     35       2.0497      2.00000
     36       2.1502      2.00000
     37       2.2772      2.00000
     38       2.2818      2.00000
     39       2.3634      2.00000
     40       2.5148      2.00000
     41       2.5563      2.00000
     42       2.6447      2.00000
     43       2.7092      2.00000
     44       2.7430      2.00000
     45       2.8004      2.00000
     46       2.8957      2.00000
     47       2.9233      2.00000
     48       3.0133      2.00000
     49       3.1084      2.00000
     50       3.1583      2.00000
     51       3.2195      2.00000
     52       3.3508      2.00000
     53       3.3740      2.00000
     54       3.5641      2.00000
     55       3.7840      2.00000
     56       3.8434      2.00000
     57       3.9875      2.00000
     58       4.2310      2.00000
     59       6.2121     -0.04017
     60       6.5069     -0.00313
     61       7.3916     -0.00000
     62       7.7899     -0.00000
     63       7.8892     -0.00000
     64       8.3542     -0.00000
     65       8.5563     -0.00000
     66       8.8082     -0.00000
     67       8.8328     -0.00000
     68       9.6446     -0.00000
     69      10.2129     -0.00000
     70      10.6327     -0.00000
     71      10.7703     -0.00000
     72      11.1188     -0.00000
     73      11.9488      0.00000
     74      12.2970      0.00000
     75      12.6573      0.00000
     76      13.1667      0.00000
     77      13.6244      0.00000
     78      13.9354      0.00000
     79      14.2744      0.00000
     80      14.6608      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.9019      2.00000
      9      -0.3824      2.00000
     10      -0.0404      2.00000
     11       0.0641      2.00000
     12       0.4455      2.00000
     13       0.4995      2.00000
     14       0.5999      2.00000
     15       0.6964      2.00000
     16       0.7559      2.00000
     17       0.7605      2.00000
     18       0.8285      2.00000
     19       0.8916      2.00000
     20       1.0026      2.00000
     21       1.0393      2.00000
     22       1.1605      2.00000
     23       1.2368      2.00000
     24       1.2908      2.00000
     25       1.3783      2.00000
     26       1.4156      2.00000
     27       1.4935      2.00000
     28       1.6147      2.00000
     29       1.6583      2.00000
     30       1.7182      2.00000
     31       1.7881      2.00000
     32       1.8405      2.00000
     33       1.9264      2.00000
     34       1.9795      2.00000
     35       2.0337      2.00000
     36       2.0744      2.00000
     37       2.2183      2.00000
     38       2.2538      2.00000
     39       2.2914      2.00000
     40       2.4068      2.00000
     41       2.5551      2.00000
     42       2.6251      2.00000
     43       2.6345      2.00000
     44       2.7118      2.00000
     45       2.7399      2.00000
     46       2.8328      2.00000
     47       2.8694      2.00000
     48       2.9053      2.00000
     49       2.9371      2.00000
     50       3.0353      2.00000
     51       3.1354      2.00000
     52       3.3054      2.00000
     53       3.3444      2.00000
     54       3.4894      2.00000
     55       3.5720      2.00000
     56       3.7526      2.00000
     57       4.4165      2.00000
     58       5.2143      2.00000
     59       5.2910      2.00000
     60       5.9522      1.54308
     61       7.0562     -0.00000
     62       7.1856     -0.00000
     63       7.3424     -0.00000
     64       7.4458     -0.00000
     65       8.1702     -0.00000
     66       8.4112     -0.00000
     67       8.6228     -0.00000
     68       9.0632     -0.00000
     69       9.3299     -0.00000
     70       9.8255     -0.00000
     71      10.7642     -0.00000
     72      10.9725     -0.00000
     73      11.2719     -0.00000
     74      11.6024      0.00000
     75      12.5236      0.00000
     76      13.0842      0.00000
     77      13.4189      0.00000
     78      13.6718      0.00000
     79      13.9163      0.00000
     80      14.1209      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3868      2.00000
      9      -0.0743      2.00000
     10       0.1057      2.00000
     11       0.1608      2.00000
     12       0.4568      2.00000
     13       0.4963      2.00000
     14       0.5528      2.00000
     15       0.6737      2.00000
     16       0.7833      2.00000
     17       0.9125      2.00000
     18       0.9439      2.00000
     19       1.1137      2.00000
     20       1.1674      2.00000
     21       1.2172      2.00000
     22       1.2418      2.00000
     23       1.3293      2.00000
     24       1.4123      2.00000
     25       1.4443      2.00000
     26       1.4883      2.00000
     27       1.5624      2.00000
     28       1.6223      2.00000
     29       1.6638      2.00000
     30       1.7179      2.00000
     31       1.8290      2.00000
     32       1.9147      2.00000
     33       1.9630      2.00000
     34       2.0347      2.00000
     35       2.1067      2.00000
     36       2.1215      2.00000
     37       2.1995      2.00000
     38       2.3003      2.00000
     39       2.3134      2.00000
     40       2.3568      2.00000
     41       2.4699      2.00000
     42       2.5291      2.00000
     43       2.5560      2.00000
     44       2.6292      2.00000
     45       2.6990      2.00000
     46       2.7403      2.00000
     47       2.8119      2.00000
     48       2.8383      2.00000
     49       2.9520      2.00000
     50       3.0753      2.00000
     51       3.1833      2.00000
     52       3.2853      2.00000
     53       3.3430      2.00000
     54       3.4708      2.00000
     55       3.5900      2.00000
     56       3.7875      2.00000
     57       4.0878      2.00000
     58       4.3000      2.00000
     59       5.4663      2.00063
     60       5.8590      1.98433
     61       6.0239      0.97234
     62       6.3385     -0.04710
     63       6.7328     -0.00001
     64       7.1221     -0.00000
     65       7.6090     -0.00000
     66       8.0709     -0.00000
     67       8.3394     -0.00000
     68       8.9263     -0.00000
     69       9.4388     -0.00000
     70      10.2308     -0.00000
     71      10.4194     -0.00000
     72      10.5689     -0.00000
     73      11.3170     -0.00000
     74      11.8308      0.00000
     75      12.1655      0.00000
     76      12.9341      0.00000
     77      13.0130      0.00000
     78      13.6896      0.00000
     79      14.0128      0.00000
     80      14.6425      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4435      2.00000
      9      -0.1470      2.00000
     10       0.0510      2.00000
     11       0.1367      2.00000
     12       0.4978      2.00000
     13       0.5338      2.00000
     14       0.6331      2.00000
     15       0.7156      2.00000
     16       0.8986      2.00000
     17       0.9230      2.00000
     18       1.0358      2.00000
     19       1.0762      2.00000
     20       1.1390      2.00000
     21       1.1814      2.00000
     22       1.2578      2.00000
     23       1.2979      2.00000
     24       1.3937      2.00000
     25       1.4165      2.00000
     26       1.4586      2.00000
     27       1.5079      2.00000
     28       1.6584      2.00000
     29       1.6994      2.00000
     30       1.7440      2.00000
     31       1.7971      2.00000
     32       1.8744      2.00000
     33       1.9135      2.00000
     34       2.0079      2.00000
     35       2.0798      2.00000
     36       2.1868      2.00000
     37       2.2131      2.00000
     38       2.2837      2.00000
     39       2.3510      2.00000
     40       2.3716      2.00000
     41       2.4493      2.00000
     42       2.5060      2.00000
     43       2.5537      2.00000
     44       2.6552      2.00000
     45       2.6925      2.00000
     46       2.7432      2.00000
     47       2.8097      2.00000
     48       2.8855      2.00000
     49       2.9089      2.00000
     50       3.1112      2.00000
     51       3.1662      2.00000
     52       3.2532      2.00000
     53       3.4783      2.00000
     54       3.5655      2.00000
     55       3.6018      2.00000
     56       3.8971      2.00000
     57       4.3418      2.00000
     58       4.8541      2.00000
     59       5.0028      2.00000
     60       5.2124      2.00000
     61       5.6173      2.01514
     62       5.8141      2.05643
     63       6.7246     -0.00001
     64       7.1851     -0.00000
     65       7.6984     -0.00000
     66       7.8737     -0.00000
     67       8.7045     -0.00000
     68       9.4913     -0.00000
     69       9.9566     -0.00000
     70      10.1368     -0.00000
     71      10.4779     -0.00000
     72      10.5907     -0.00000
     73      11.1504     -0.00000
     74      11.8163      0.00000
     75      12.2379      0.00000
     76      12.7478      0.00000
     77      13.5924      0.00000
     78      14.0657      0.00000
     79      14.3319      0.00000
     80      14.4660      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5936      2.00000
      8      -1.0763      2.00000
      9      -0.3670      2.00000
     10      -0.1157      2.00000
     11       0.2743      2.00000
     12       0.4407      2.00000
     13       0.5135      2.00000
     14       0.5468      2.00000
     15       0.6837      2.00000
     16       0.7852      2.00000
     17       0.8442      2.00000
     18       0.9193      2.00000
     19       0.9517      2.00000
     20       1.0524      2.00000
     21       1.0835      2.00000
     22       1.1720      2.00000
     23       1.2206      2.00000
     24       1.2699      2.00000
     25       1.3223      2.00000
     26       1.4146      2.00000
     27       1.4545      2.00000
     28       1.5511      2.00000
     29       1.6131      2.00000
     30       1.7715      2.00000
     31       1.8202      2.00000
     32       1.8445      2.00000
     33       1.9690      2.00000
     34       1.9994      2.00000
     35       2.0550      2.00000
     36       2.1062      2.00000
     37       2.1365      2.00000
     38       2.2107      2.00000
     39       2.3299      2.00000
     40       2.4307      2.00000
     41       2.4711      2.00000
     42       2.6055      2.00000
     43       2.6494      2.00000
     44       2.6822      2.00000
     45       2.7887      2.00000
     46       2.8210      2.00000
     47       2.8720      2.00000
     48       2.9258      2.00000
     49       2.9780      2.00000
     50       3.0830      2.00000
     51       3.1307      2.00000
     52       3.2398      2.00000
     53       3.3208      2.00000
     54       3.4526      2.00000
     55       3.6259      2.00000
     56       4.0773      2.00000
     57       4.2795      2.00000
     58       5.1833      2.00000
     59       5.7446      2.06495
     60       5.9246      1.71789
     61       6.1181      0.27399
     62       6.5400     -0.00149
     63       6.7804     -0.00000
     64       7.2707     -0.00000
     65       7.6599     -0.00000
     66       8.3417     -0.00000
     67       9.3903     -0.00000
     68       9.5371     -0.00000
     69       9.9902     -0.00000
     70      10.1772     -0.00000
     71      11.3457     -0.00000
     72      11.5034      0.00000
     73      11.7710      0.00000
     74      11.9541      0.00000
     75      12.2751      0.00000
     76      12.7720      0.00000
     77      13.3560      0.00000
     78      13.6861      0.00000
     79      13.8384      0.00000
     80      14.2067      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6515      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.5522      2.00000
      9      -0.5536      2.00000
     10      -0.4648      2.00000
     11       0.2123      2.00000
     12       0.2397      2.00000
     13       0.4745      2.00000
     14       0.5277      2.00000
     15       0.5964      2.00000
     16       0.6348      2.00000
     17       0.6735      2.00000
     18       0.7978      2.00000
     19       0.9024      2.00000
     20       0.9476      2.00000
     21       0.9888      2.00000
     22       1.0152      2.00000
     23       1.1215      2.00000
     24       1.1607      2.00000
     25       1.2200      2.00000
     26       1.3866      2.00000
     27       1.4337      2.00000
     28       1.4889      2.00000
     29       1.5987      2.00000
     30       1.6410      2.00000
     31       1.7289      2.00000
     32       1.8710      2.00000
     33       1.8857      2.00000
     34       2.0169      2.00000
     35       2.1092      2.00000
     36       2.2038      2.00000
     37       2.2694      2.00000
     38       2.3459      2.00000
     39       2.3717      2.00000
     40       2.4425      2.00000
     41       2.5856      2.00000
     42       2.6795      2.00000
     43       2.7049      2.00000
     44       2.7366      2.00000
     45       2.8431      2.00000
     46       2.8663      2.00000
     47       2.8941      2.00000
     48       3.0574      2.00000
     49       3.0915      2.00000
     50       3.1662      2.00000
     51       3.2304      2.00000
     52       3.2368      2.00000
     53       3.5339      2.00000
     54       3.6161      2.00000
     55       3.6529      2.00000
     56       3.8485      2.00000
     57       3.9804      2.00000
     58       4.4795      2.00000
     59       5.6810      2.03725
     60       6.3621     -0.03647
     61       6.7062     -0.00001
     62       7.5105     -0.00000
     63       7.9798     -0.00000
     64       8.6879     -0.00000
     65       8.8794     -0.00000
     66       9.2147     -0.00000
     67       9.3745     -0.00000
     68       9.4772     -0.00000
     69       9.7872     -0.00000
     70      10.5225     -0.00000
     71      11.1887     -0.00000
     72      11.5422      0.00000
     73      12.0654      0.00000
     74      12.2477      0.00000
     75      13.0252      0.00000
     76      13.2502      0.00000
     77      13.2937      0.00000
     78      13.8546      0.00000
     79      14.5903      0.00000
     80      14.6675      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6510      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6078      2.00000
      9      -0.8264      2.00000
     10      -0.5710      2.00000
     11       0.0780      2.00000
     12       0.1532      2.00000
     13       0.3654      2.00000
     14       0.3924      2.00000
     15       0.5507      2.00000
     16       0.6424      2.00000
     17       0.7664      2.00000
     18       0.7915      2.00000
     19       0.8726      2.00000
     20       0.8765      2.00000
     21       0.9212      2.00000
     22       1.0166      2.00000
     23       1.0306      2.00000
     24       1.0766      2.00000
     25       1.2548      2.00000
     26       1.3110      2.00000
     27       1.3791      2.00000
     28       1.4764      2.00000
     29       1.6286      2.00000
     30       1.6714      2.00000
     31       1.7617      2.00000
     32       1.8355      2.00000
     33       1.9573      2.00000
     34       2.0157      2.00000
     35       2.1728      2.00000
     36       2.2044      2.00000
     37       2.3299      2.00000
     38       2.4259      2.00000
     39       2.4654      2.00000
     40       2.4720      2.00000
     41       2.5168      2.00000
     42       2.6320      2.00000
     43       2.6413      2.00000
     44       2.6580      2.00000
     45       2.8307      2.00000
     46       2.8401      2.00000
     47       2.9513      2.00000
     48       2.9535      2.00000
     49       2.9824      2.00000
     50       3.1931      2.00000
     51       3.2506      2.00000
     52       3.4609      2.00000
     53       3.5511      2.00000
     54       3.6536      2.00000
     55       3.9629      2.00000
     56       4.0680      2.00000
     57       4.2151      2.00000
     58       4.6044      2.00000
     59       5.8712      1.95073
     60       6.1241      0.24120
     61       6.6559     -0.00007
     62       7.3660     -0.00000
     63       8.0012     -0.00000
     64       8.2598     -0.00000
     65       8.6540     -0.00000
     66       9.1095     -0.00000
     67       9.1638     -0.00000
     68      10.9144     -0.00000
     69      11.4381     -0.00000
     70      11.6356      0.00000
     71      11.9500      0.00000
     72      12.3478      0.00000
     73      12.6253      0.00000
     74      13.1776      0.00000
     75      13.2079      0.00000
     76      13.3593      0.00000
     77      13.4033      0.00000
     78      13.8304      0.00000
     79      13.8498      0.00000
     80      14.0866      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6510      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3515      2.00000
      9      -0.6627      2.00000
     10      -0.5432      2.00000
     11       0.0585      2.00000
     12       0.1907      2.00000
     13       0.4681      2.00000
     14       0.5591      2.00000
     15       0.6263      2.00000
     16       0.6380      2.00000
     17       0.7500      2.00000
     18       0.7944      2.00000
     19       0.9123      2.00000
     20       0.9255      2.00000
     21       0.9544      2.00000
     22       0.9856      2.00000
     23       1.0982      2.00000
     24       1.1261      2.00000
     25       1.1790      2.00000
     26       1.3706      2.00000
     27       1.4308      2.00000
     28       1.6013      2.00000
     29       1.6153      2.00000
     30       1.6807      2.00000
     31       1.7236      2.00000
     32       1.7754      2.00000
     33       1.9360      2.00000
     34       2.0216      2.00000
     35       2.0787      2.00000
     36       2.1911      2.00000
     37       2.2134      2.00000
     38       2.2819      2.00000
     39       2.4585      2.00000
     40       2.4811      2.00000
     41       2.5398      2.00000
     42       2.6400      2.00000
     43       2.6843      2.00000
     44       2.7312      2.00000
     45       2.7503      2.00000
     46       2.8478      2.00000
     47       2.8912      2.00000
     48       2.9878      2.00000
     49       3.0686      2.00000
     50       3.1430      2.00000
     51       3.1592      2.00000
     52       3.3207      2.00000
     53       3.4406      2.00000
     54       3.5224      2.00000
     55       3.7653      2.00000
     56       3.8977      2.00000
     57       5.0269      2.00000
     58       5.1317      2.00000
     59       5.6102      2.01346
     60       6.0419      0.82108
     61       6.8593     -0.00000
     62       7.3584     -0.00000
     63       7.5139     -0.00000
     64       7.6979     -0.00000
     65       8.1186     -0.00000
     66       8.2694     -0.00000
     67       9.9449     -0.00000
     68      10.3765     -0.00000
     69      10.5505     -0.00000
     70      11.0012     -0.00000
     71      11.1609     -0.00000
     72      11.6663      0.00000
     73      12.3284      0.00000
     74      12.4707      0.00000
     75      12.9833      0.00000
     76      13.1688      0.00000
     77      13.6637      0.00000
     78      13.7964      0.00000
     79      14.0936      0.00000
     80      14.3570      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.8936      2.00000
      9      -0.3642      2.00000
     10      -0.0526      2.00000
     11       0.0315      2.00000
     12       0.4735      2.00000
     13       0.5002      2.00000
     14       0.5828      2.00000
     15       0.7023      2.00000
     16       0.7359      2.00000
     17       0.7738      2.00000
     18       0.8317      2.00000
     19       0.8821      2.00000
     20       1.0003      2.00000
     21       1.0295      2.00000
     22       1.1383      2.00000
     23       1.2426      2.00000
     24       1.3387      2.00000
     25       1.3884      2.00000
     26       1.4616      2.00000
     27       1.5154      2.00000
     28       1.5591      2.00000
     29       1.5953      2.00000
     30       1.7516      2.00000
     31       1.8026      2.00000
     32       1.8739      2.00000
     33       1.9121      2.00000
     34       1.9677      2.00000
     35       2.0233      2.00000
     36       2.1305      2.00000
     37       2.1892      2.00000
     38       2.2286      2.00000
     39       2.2580      2.00000
     40       2.3295      2.00000
     41       2.5568      2.00000
     42       2.6113      2.00000
     43       2.6582      2.00000
     44       2.7256      2.00000
     45       2.7353      2.00000
     46       2.8480      2.00000
     47       2.8771      2.00000
     48       2.9170      2.00000
     49       2.9671      2.00000
     50       3.0475      2.00000
     51       3.1375      2.00000
     52       3.2768      2.00000
     53       3.3552      2.00000
     54       3.4162      2.00000
     55       3.5040      2.00000
     56       3.7155      2.00000
     57       4.6974      2.00000
     58       5.3858      2.00007
     59       5.6368      2.02056
     60       5.8427      2.01914
     61       6.6925     -0.00002
     62       6.9440     -0.00000
     63       7.1052     -0.00000
     64       7.2417     -0.00000
     65       8.4941     -0.00000
     66       8.5926     -0.00000
     67       8.7135     -0.00000
     68       8.9028     -0.00000
     69       9.2513     -0.00000
     70       9.6724     -0.00000
     71      10.8966     -0.00000
     72      11.0766     -0.00000
     73      11.2655     -0.00000
     74      11.7947      0.00000
     75      12.7530      0.00000
     76      13.0090      0.00000
     77      13.5263      0.00000
     78      13.7721      0.00000
     79      14.0003      0.00000
     80      14.4077      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3636      2.00000
      9      -0.1205      2.00000
     10       0.1032      2.00000
     11       0.1777      2.00000
     12       0.4650      2.00000
     13       0.5319      2.00000
     14       0.5902      2.00000
     15       0.6400      2.00000
     16       0.7470      2.00000
     17       0.9052      2.00000
     18       0.9507      2.00000
     19       1.0652      2.00000
     20       1.1545      2.00000
     21       1.1924      2.00000
     22       1.2465      2.00000
     23       1.3192      2.00000
     24       1.3964      2.00000
     25       1.4858      2.00000
     26       1.5110      2.00000
     27       1.5421      2.00000
     28       1.6265      2.00000
     29       1.7199      2.00000
     30       1.7407      2.00000
     31       1.8385      2.00000
     32       1.9083      2.00000
     33       1.9707      2.00000
     34       2.0418      2.00000
     35       2.1141      2.00000
     36       2.1754      2.00000
     37       2.2567      2.00000
     38       2.3071      2.00000
     39       2.3198      2.00000
     40       2.3840      2.00000
     41       2.4339      2.00000
     42       2.5209      2.00000
     43       2.5637      2.00000
     44       2.5837      2.00000
     45       2.6389      2.00000
     46       2.7058      2.00000
     47       2.7622      2.00000
     48       2.8052      2.00000
     49       2.9580      2.00000
     50       3.0476      2.00000
     51       3.1423      2.00000
     52       3.1825      2.00000
     53       3.3353      2.00000
     54       3.5360      2.00000
     55       3.6019      2.00000
     56       3.9570      2.00000
     57       4.1927      2.00000
     58       4.4158      2.00000
     59       5.2748      2.00000
     60       5.8333      2.03450
     61       5.9580      1.50274
     62       6.2650     -0.07091
     63       6.4695     -0.00672
     64       6.9993     -0.00000
     65       7.8692     -0.00000
     66       8.0339     -0.00000
     67       8.8232     -0.00000
     68       9.1436     -0.00000
     69       9.7264     -0.00000
     70       9.8586     -0.00000
     71      10.3742     -0.00000
     72      10.5822     -0.00000
     73      10.9648     -0.00000
     74      11.8552      0.00000
     75      12.4570      0.00000
     76      12.6252      0.00000
     77      13.3309      0.00000
     78      13.7271      0.00000
     79      14.3676      0.00000
     80      14.4589      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4358      2.00000
      9      -0.1373      2.00000
     10      -0.0136      2.00000
     11       0.1342      2.00000
     12       0.5493      2.00000
     13       0.5923      2.00000
     14       0.6485      2.00000
     15       0.7803      2.00000
     16       0.8053      2.00000
     17       0.9269      2.00000
     18       0.9683      2.00000
     19       1.0485      2.00000
     20       1.1108      2.00000
     21       1.1509      2.00000
     22       1.2440      2.00000
     23       1.3421      2.00000
     24       1.3881      2.00000
     25       1.4082      2.00000
     26       1.4927      2.00000
     27       1.5882      2.00000
     28       1.6709      2.00000
     29       1.7209      2.00000
     30       1.7695      2.00000
     31       1.8236      2.00000
     32       1.8885      2.00000
     33       1.9016      2.00000
     34       2.0057      2.00000
     35       2.1286      2.00000
     36       2.1834      2.00000
     37       2.2224      2.00000
     38       2.2473      2.00000
     39       2.3073      2.00000
     40       2.3966      2.00000
     41       2.4543      2.00000
     42       2.4920      2.00000
     43       2.5538      2.00000
     44       2.6228      2.00000
     45       2.6455      2.00000
     46       2.7282      2.00000
     47       2.7746      2.00000
     48       2.8258      2.00000
     49       2.8790      2.00000
     50       3.1361      2.00000
     51       3.1457      2.00000
     52       3.3461      2.00000
     53       3.4735      2.00000
     54       3.5783      2.00000
     55       3.6088      2.00000
     56       3.7768      2.00000
     57       4.3639      2.00000
     58       4.5614      2.00000
     59       5.1247      2.00000
     60       5.6200      2.01582
     61       5.7633      2.06983
     62       6.4054     -0.02029
     63       6.4982     -0.00377
     64       6.8356     -0.00000
     65       7.0005     -0.00000
     66       7.3812     -0.00000
     67       9.1098     -0.00000
     68       9.3519     -0.00000
     69      10.2452     -0.00000
     70      10.5605     -0.00000
     71      10.9183     -0.00000
     72      11.4128     -0.00000
     73      11.5632      0.00000
     74      11.8368      0.00000
     75      12.1792      0.00000
     76      12.6696      0.00000
     77      12.9365      0.00000
     78      13.0964      0.00000
     79      13.9125      0.00000
     80      14.2320      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -1.1044      2.00000
      9      -0.3074      2.00000
     10      -0.1684      2.00000
     11       0.2371      2.00000
     12       0.4839      2.00000
     13       0.5515      2.00000
     14       0.5796      2.00000
     15       0.6576      2.00000
     16       0.7749      2.00000
     17       0.8587      2.00000
     18       0.9317      2.00000
     19       1.0209      2.00000
     20       1.0935      2.00000
     21       1.1233      2.00000
     22       1.1674      2.00000
     23       1.1935      2.00000
     24       1.2209      2.00000
     25       1.2544      2.00000
     26       1.3574      2.00000
     27       1.4857      2.00000
     28       1.5509      2.00000
     29       1.6414      2.00000
     30       1.6878      2.00000
     31       1.7906      2.00000
     32       1.8414      2.00000
     33       1.9705      2.00000
     34       2.0402      2.00000
     35       2.1033      2.00000
     36       2.1646      2.00000
     37       2.2214      2.00000
     38       2.2438      2.00000
     39       2.3079      2.00000
     40       2.3408      2.00000
     41       2.5277      2.00000
     42       2.6201      2.00000
     43       2.6461      2.00000
     44       2.7210      2.00000
     45       2.7345      2.00000
     46       2.7797      2.00000
     47       2.8216      2.00000
     48       2.9432      2.00000
     49       2.9981      2.00000
     50       3.0670      2.00000
     51       3.1403      2.00000
     52       3.2062      2.00000
     53       3.4278      2.00000
     54       3.4671      2.00000
     55       3.5672      2.00000
     56       3.7191      2.00000
     57       4.5308      2.00000
     58       4.7872      2.00000
     59       5.4114      2.00014
     60       5.9622      1.47228
     61       6.4810     -0.00536
     62       6.8122     -0.00000
     63       7.0926     -0.00000
     64       7.3901     -0.00000
     65       8.0529     -0.00000
     66       8.6719     -0.00000
     67       8.7540     -0.00000
     68       9.3424     -0.00000
     69       9.8346     -0.00000
     70       9.9264     -0.00000
     71      10.6667     -0.00000
     72      11.1712     -0.00000
     73      11.8845      0.00000
     74      12.1964      0.00000
     75      12.6591      0.00000
     76      13.2338      0.00000
     77      13.9585      0.00000
     78      14.0484      0.00000
     79      14.3643      0.00000
     80      14.4129      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.5441      2.00000
      9      -0.6243      2.00000
     10      -0.3818      2.00000
     11       0.1938      2.00000
     12       0.2355      2.00000
     13       0.4379      2.00000
     14       0.5290      2.00000
     15       0.5871      2.00000
     16       0.6343      2.00000
     17       0.6926      2.00000
     18       0.8086      2.00000
     19       0.9162      2.00000
     20       0.9452      2.00000
     21       0.9841      2.00000
     22       1.0475      2.00000
     23       1.1329      2.00000
     24       1.1618      2.00000
     25       1.2510      2.00000
     26       1.2731      2.00000
     27       1.3840      2.00000
     28       1.5946      2.00000
     29       1.6449      2.00000
     30       1.7105      2.00000
     31       1.7610      2.00000
     32       1.8209      2.00000
     33       1.8682      2.00000
     34       1.9925      2.00000
     35       2.0330      2.00000
     36       2.1221      2.00000
     37       2.3078      2.00000
     38       2.3473      2.00000
     39       2.4482      2.00000
     40       2.5148      2.00000
     41       2.5265      2.00000
     42       2.6081      2.00000
     43       2.6748      2.00000
     44       2.7023      2.00000
     45       2.7945      2.00000
     46       2.8456      2.00000
     47       2.9051      2.00000
     48       3.0506      2.00000
     49       3.0945      2.00000
     50       3.2140      2.00000
     51       3.2293      2.00000
     52       3.3007      2.00000
     53       3.4039      2.00000
     54       3.5897      2.00000
     55       3.7947      2.00000
     56       3.8183      2.00000
     57       3.9757      2.00000
     58       4.7561      2.00000
     59       5.6616      2.02924
     60       6.5557     -0.00102
     61       6.8543     -0.00000
     62       7.4503     -0.00000
     63       7.8270     -0.00000
     64       7.8878     -0.00000
     65       8.4230     -0.00000
     66       9.0500     -0.00000
     67       9.2284     -0.00000
     68       9.9842     -0.00000
     69      10.4756     -0.00000
     70      10.7302     -0.00000
     71      11.1340     -0.00000
     72      11.4751     -0.00000
     73      12.1370      0.00000
     74      12.6641      0.00000
     75      13.0049      0.00000
     76      13.3613      0.00000
     77      13.5054      0.00000
     78      13.9048      0.00000
     79      14.3229      0.00000
     80      14.5390      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9222      2.00000
      2     -39.9151      2.00000
      3     -39.7859      2.00000
      4     -39.6517      2.00000
      5     -39.6511      2.00000
      6     -39.6056      2.00000
      7     -39.5906      2.00000
      8      -1.6016      2.00000
      9      -0.7826      2.00000
     10      -0.6557      2.00000
     11       0.0707      2.00000
     12       0.1971      2.00000
     13       0.3628      2.00000
     14       0.3889      2.00000
     15       0.5682      2.00000
     16       0.6156      2.00000
     17       0.7288      2.00000
     18       0.7892      2.00000
     19       0.8492      2.00000
     20       0.9109      2.00000
     21       0.9269      2.00000
     22       1.0666      2.00000
     23       1.1162      2.00000
     24       1.1530      2.00000
     25       1.2448      2.00000
     26       1.2608      2.00000
     27       1.2711      2.00000
     28       1.4720      2.00000
     29       1.6032      2.00000
     30       1.6188      2.00000
     31       1.7499      2.00000
     32       1.7907      2.00000
     33       1.9144      2.00000
     34       2.1264      2.00000
     35       2.1606      2.00000
     36       2.3457      2.00000
     37       2.3607      2.00000
     38       2.3931      2.00000
     39       2.4393      2.00000
     40       2.4713      2.00000
     41       2.5385      2.00000
     42       2.6348      2.00000
     43       2.6693      2.00000
     44       2.7303      2.00000
     45       2.8002      2.00000
     46       2.8507      2.00000
     47       2.8976      2.00000
     48       2.9448      2.00000
     49       3.0419      2.00000
     50       3.1755      2.00000
     51       3.2255      2.00000
     52       3.4003      2.00000
     53       3.5920      2.00000
     54       3.6418      2.00000
     55       3.9531      2.00000
     56       4.0635      2.00000
     57       4.2356      2.00000
     58       4.4610      2.00000
     59       5.6820      2.03770
     60       6.2440     -0.06675
     61       6.6967     -0.00002
     62       7.5188     -0.00000
     63       7.8831     -0.00000
     64       8.1463     -0.00000
     65       8.8095     -0.00000
     66       9.3758     -0.00000
     67       9.5924     -0.00000
     68      10.7369     -0.00000
     69      10.9031     -0.00000
     70      11.4761     -0.00000
     71      11.9817      0.00000
     72      12.0764      0.00000
     73      12.5118      0.00000
     74      12.8962      0.00000
     75      13.0082      0.00000
     76      13.2849      0.00000
     77      13.4374      0.00000
     78      13.8965      0.00000
     79      14.0599      0.00000
     80      14.3419      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.3837      2.00000
      9      -0.7304      2.00000
     10      -0.4715      2.00000
     11       0.1236      2.00000
     12       0.1912      2.00000
     13       0.4812      2.00000
     14       0.5509      2.00000
     15       0.6339      2.00000
     16       0.6402      2.00000
     17       0.7517      2.00000
     18       0.7713      2.00000
     19       0.9307      2.00000
     20       0.9358      2.00000
     21       0.9541      2.00000
     22       0.9848      2.00000
     23       1.1205      2.00000
     24       1.1628      2.00000
     25       1.1839      2.00000
     26       1.3698      2.00000
     27       1.3815      2.00000
     28       1.5173      2.00000
     29       1.6192      2.00000
     30       1.6336      2.00000
     31       1.7961      2.00000
     32       1.8447      2.00000
     33       1.9621      2.00000
     34       1.9900      2.00000
     35       2.1650      2.00000
     36       2.2060      2.00000
     37       2.2241      2.00000
     38       2.2583      2.00000
     39       2.3080      2.00000
     40       2.5372      2.00000
     41       2.5765      2.00000
     42       2.6271      2.00000
     43       2.6985      2.00000
     44       2.7442      2.00000
     45       2.8164      2.00000
     46       2.8995      2.00000
     47       2.9591      2.00000
     48       3.0073      2.00000
     49       3.1160      2.00000
     50       3.1579      2.00000
     51       3.1957      2.00000
     52       3.3144      2.00000
     53       3.4044      2.00000
     54       3.5584      2.00000
     55       3.7447      2.00000
     56       3.9031      2.00000
     57       4.0364      2.00000
     58       4.2881      2.00000
     59       6.2353     -0.06228
     60       6.6650     -0.00005
     61       7.1204     -0.00000
     62       7.3141     -0.00000
     63       8.0080     -0.00000
     64       8.2358     -0.00000
     65       8.3881     -0.00000
     66       8.7934     -0.00000
     67       9.5583     -0.00000
     68       9.8285     -0.00000
     69      10.1342     -0.00000
     70      10.3441     -0.00000
     71      10.8625     -0.00000
     72      11.3397     -0.00000
     73      12.0584      0.00000
     74      12.2059      0.00000
     75      12.6367      0.00000
     76      13.1406      0.00000
     77      13.5505      0.00000
     78      13.7449      0.00000
     79      14.3212      0.00000
     80      14.6219      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6513      2.00000
      5     -39.6511      2.00000
      6     -39.6029      2.00000
      7     -39.5935      2.00000
      8      -0.9082      2.00000
      9      -0.4523      2.00000
     10       0.0474      2.00000
     11       0.0963      2.00000
     12       0.3997      2.00000
     13       0.5012      2.00000
     14       0.6498      2.00000
     15       0.6742      2.00000
     16       0.7405      2.00000
     17       0.7812      2.00000
     18       0.8209      2.00000
     19       0.9090      2.00000
     20       1.0210      2.00000
     21       1.0477      2.00000
     22       1.1242      2.00000
     23       1.2317      2.00000
     24       1.2723      2.00000
     25       1.2989      2.00000
     26       1.3787      2.00000
     27       1.4645      2.00000
     28       1.6750      2.00000
     29       1.7006      2.00000
     30       1.7872      2.00000
     31       1.8239      2.00000
     32       1.8571      2.00000
     33       1.9115      2.00000
     34       1.9733      2.00000
     35       2.0022      2.00000
     36       2.0302      2.00000
     37       2.2408      2.00000
     38       2.2971      2.00000
     39       2.3489      2.00000
     40       2.4838      2.00000
     41       2.5215      2.00000
     42       2.5741      2.00000
     43       2.6888      2.00000
     44       2.7108      2.00000
     45       2.7438      2.00000
     46       2.7623      2.00000
     47       2.8572      2.00000
     48       2.8828      2.00000
     49       2.9149      2.00000
     50       3.0745      2.00000
     51       3.1677      2.00000
     52       3.3320      2.00000
     53       3.3484      2.00000
     54       3.5887      2.00000
     55       3.7534      2.00000
     56       3.8247      2.00000
     57       4.0235      2.00000
     58       4.6273      2.00000
     59       4.8228      2.00000
     60       6.5766     -0.00061
     61       7.0552     -0.00000
     62       7.5091     -0.00000
     63       7.6258     -0.00000
     64       7.8466     -0.00000
     65       8.0338     -0.00000
     66       8.6856     -0.00000
     67       8.9121     -0.00000
     68       9.1897     -0.00000
     69       9.5767     -0.00000
     70       9.6015     -0.00000
     71       9.8052     -0.00000
     72      10.0923     -0.00000
     73      11.4979      0.00000
     74      11.8050      0.00000
     75      11.8837      0.00000
     76      13.0003      0.00000
     77      13.3947      0.00000
     78      13.9873      0.00000
     79      14.2182      0.00000
     80      14.5780      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.6000      2.00000
      7     -39.5966      2.00000
      8      -0.3594      2.00000
      9      -0.1211      2.00000
     10       0.1084      2.00000
     11       0.1574      2.00000
     12       0.4176      2.00000
     13       0.5393      2.00000
     14       0.6104      2.00000
     15       0.6935      2.00000
     16       0.7715      2.00000
     17       0.8962      2.00000
     18       0.9382      2.00000
     19       1.0662      2.00000
     20       1.1206      2.00000
     21       1.1832      2.00000
     22       1.2152      2.00000
     23       1.3423      2.00000
     24       1.3959      2.00000
     25       1.4484      2.00000
     26       1.5079      2.00000
     27       1.6587      2.00000
     28       1.7024      2.00000
     29       1.7205      2.00000
     30       1.7396      2.00000
     31       1.8354      2.00000
     32       1.8748      2.00000
     33       1.9343      2.00000
     34       2.0099      2.00000
     35       2.1245      2.00000
     36       2.1633      2.00000
     37       2.2548      2.00000
     38       2.2797      2.00000
     39       2.3471      2.00000
     40       2.3974      2.00000
     41       2.4371      2.00000
     42       2.5298      2.00000
     43       2.5729      2.00000
     44       2.5952      2.00000
     45       2.6428      2.00000
     46       2.6814      2.00000
     47       2.7288      2.00000
     48       2.7938      2.00000
     49       2.8770      2.00000
     50       3.0776      2.00000
     51       3.1264      2.00000
     52       3.1794      2.00000
     53       3.2260      2.00000
     54       3.4897      2.00000
     55       3.6003      2.00000
     56       3.9603      2.00000
     57       4.6230      2.00000
     58       4.7023      2.00000
     59       5.1238      2.00000
     60       5.6467      2.02379
     61       5.7757      2.07092
     62       6.0900      0.45031
     63       6.3862     -0.02676
     64       6.9258     -0.00000
     65       7.6625     -0.00000
     66       8.4607     -0.00000
     67       9.0032     -0.00000
     68       9.3644     -0.00000
     69       9.4744     -0.00000
     70       9.8202     -0.00000
     71      10.6721     -0.00000
     72      11.0248     -0.00000
     73      11.3741     -0.00000
     74      11.7122      0.00000
     75      12.0812      0.00000
     76      12.4104      0.00000
     77      12.7630      0.00000
     78      13.6237      0.00000
     79      13.9723      0.00000
     80      14.1684      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9193      2.00000
      2     -39.9177      2.00000
      3     -39.7852      2.00000
      4     -39.6512      2.00000
      5     -39.6510      2.00000
      6     -39.5999      2.00000
      7     -39.5966      2.00000
      8      -0.4242      2.00000
      9      -0.1861      2.00000
     10       0.0427      2.00000
     11       0.1418      2.00000
     12       0.5306      2.00000
     13       0.5873      2.00000
     14       0.6803      2.00000
     15       0.7393      2.00000
     16       0.7972      2.00000
     17       0.8789      2.00000
     18       0.9546      2.00000
     19       1.0910      2.00000
     20       1.1097      2.00000
     21       1.2013      2.00000
     22       1.2747      2.00000
     23       1.2957      2.00000
     24       1.3657      2.00000
     25       1.4142      2.00000
     26       1.4673      2.00000
     27       1.5531      2.00000
     28       1.6680      2.00000
     29       1.7431      2.00000
     30       1.7737      2.00000
     31       1.8321      2.00000
     32       1.8500      2.00000
     33       1.9611      2.00000
     34       2.0600      2.00000
     35       2.0950      2.00000
     36       2.1329      2.00000
     37       2.2439      2.00000
     38       2.2805      2.00000
     39       2.2884      2.00000
     40       2.4381      2.00000
     41       2.4771      2.00000
     42       2.4782      2.00000
     43       2.5553      2.00000
     44       2.6258      2.00000
     45       2.6515      2.00000
     46       2.7058      2.00000
     47       2.7898      2.00000
     48       2.8057      2.00000
     49       2.8826      2.00000
     50       3.0927      2.00000
     51       3.1676      2.00000
     52       3.2523      2.00000
     53       3.4847      2.00000
     54       3.5636      2.00000
     55       3.6555      2.00000
     56       4.0614      2.00000
     57       4.5118      2.00000
     58       4.5632      2.00000
     59       4.8252      2.00000
     60       5.1728      2.00000
     61       5.6583      2.02798
     62       6.1393      0.16589
     63       6.4075     -0.01967
     64       7.5643     -0.00000
     65       7.7406     -0.00000
     66       8.0318     -0.00000
     67       8.4179     -0.00000
     68       8.9585     -0.00000
     69       9.6282     -0.00000
     70      10.2660     -0.00000
     71      10.4003     -0.00000
     72      11.2736     -0.00000
     73      11.6946      0.00000
     74      12.2944      0.00000
     75      12.4776      0.00000
     76      12.6309      0.00000
     77      13.3643      0.00000
     78      13.6139      0.00000
     79      14.1763      0.00000
     80      14.3180      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9207      2.00000
      2     -39.9163      2.00000
      3     -39.7855      2.00000
      4     -39.6514      2.00000
      5     -39.6510      2.00000
      6     -39.6029      2.00000
      7     -39.5936      2.00000
      8      -1.0434      2.00000
      9      -0.4631      2.00000
     10      -0.0781      2.00000
     11       0.3288      2.00000
     12       0.4468      2.00000
     13       0.5170      2.00000
     14       0.5680      2.00000
     15       0.6470      2.00000
     16       0.7502      2.00000
     17       0.8193      2.00000
     18       0.9223      2.00000
     19       0.9925      2.00000
     20       1.0238      2.00000
     21       1.0958      2.00000
     22       1.1853      2.00000
     23       1.2096      2.00000
     24       1.3191      2.00000
     25       1.3395      2.00000
     26       1.3601      2.00000
     27       1.4410      2.00000
     28       1.5057      2.00000
     29       1.6030      2.00000
     30       1.7685      2.00000
     31       1.8428      2.00000
     32       1.8637      2.00000
     33       1.9318      2.00000
     34       1.9885      2.00000
     35       2.0436      2.00000
     36       2.1226      2.00000
     37       2.1951      2.00000
     38       2.2583      2.00000
     39       2.3301      2.00000
     40       2.4501      2.00000
     41       2.4941      2.00000
     42       2.5106      2.00000
     43       2.6518      2.00000
     44       2.6827      2.00000
     45       2.7634      2.00000
     46       2.8029      2.00000
     47       2.8519      2.00000
     48       2.9292      2.00000
     49       3.0239      2.00000
     50       3.0831      2.00000
     51       3.1509      2.00000
     52       3.2233      2.00000
     53       3.3272      2.00000
     54       3.4877      2.00000
     55       3.6515      2.00000
     56       3.8504      2.00000
     57       4.7595      2.00000
     58       5.2126      2.00000
     59       5.3404      2.00002
     60       5.6002      2.01132
     61       6.3436     -0.04478
     62       6.5450     -0.00132
     63       7.2887     -0.00000
     64       7.3957     -0.00000
     65       7.6618     -0.00000
     66       8.0619     -0.00000
     67       8.8576     -0.00000
     68       9.6518     -0.00000
     69       9.9780     -0.00000
     70      10.4983     -0.00000
     71      10.6849     -0.00000
     72      11.0136     -0.00000
     73      11.3076     -0.00000
     74      12.4722      0.00000
     75      13.0301      0.00000
     76      13.3044      0.00000
     77      13.6002      0.00000
     78      14.1325      0.00000
     79      14.2315      0.00000
     80      14.8647      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9154      2.00000
      3     -39.7858      2.00000
      4     -39.6516      2.00000
      5     -39.6511      2.00000
      6     -39.6049      2.00000
      7     -39.5914      2.00000
      8      -1.4818      2.00000
      9      -0.7347      2.00000
     10      -0.3580      2.00000
     11       0.1656      2.00000
     12       0.2231      2.00000
     13       0.4652      2.00000
     14       0.5353      2.00000
     15       0.6097      2.00000
     16       0.6353      2.00000
     17       0.6646      2.00000
     18       0.8242      2.00000
     19       0.8800      2.00000
     20       0.9371      2.00000
     21       0.9787      2.00000
     22       0.9969      2.00000
     23       1.1448      2.00000
     24       1.1831      2.00000
     25       1.2479      2.00000
     26       1.3216      2.00000
     27       1.4364      2.00000
     28       1.5506      2.00000
     29       1.5965      2.00000
     30       1.6169      2.00000
     31       1.6909      2.00000
     32       1.8968      2.00000
     33       1.9637      2.00000
     34       2.0205      2.00000
     35       2.0955      2.00000
     36       2.1923      2.00000
     37       2.2597      2.00000
     38       2.3333      2.00000
     39       2.3560      2.00000
     40       2.4541      2.00000
     41       2.4747      2.00000
     42       2.6337      2.00000
     43       2.6750      2.00000
     44       2.7546      2.00000
     45       2.7793      2.00000
     46       2.8303      2.00000
     47       2.9671      2.00000
     48       2.9874      2.00000
     49       3.1183      2.00000
     50       3.1502      2.00000
     51       3.1996      2.00000
     52       3.3084      2.00000
     53       3.3820      2.00000
     54       3.6128      2.00000
     55       3.7776      2.00000
     56       3.8349      2.00000
     57       4.6238      2.00000
     58       5.1327      2.00000
     59       5.6762      2.03519
     60       6.1425      0.15195
     61       6.4446     -0.01066
     62       6.9248     -0.00000
     63       7.2616     -0.00000
     64       7.9398     -0.00000
     65       8.8975     -0.00000
     66       8.9923     -0.00000
     67       9.2242     -0.00000
     68       9.9847     -0.00000
     69      10.0548     -0.00000
     70      11.7039      0.00000
     71      11.9099      0.00000
     72      12.1238      0.00000
     73      12.2398      0.00000
     74      12.4632      0.00000
     75      12.8854      0.00000
     76      13.2900      0.00000
     77      13.5708      0.00000
     78      13.8171      0.00000
     79      13.9590      0.00000
     80      14.4617      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.164  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.167  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.364  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.011   0.029   0.010   0.007  -1.169  -0.015  -0.024  -0.040  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.071  -0.270   0.020  -0.183  -0.015  -1.058   0.224  -0.011   0.146  -0.068   0.012  -0.002   0.171   0.008   0.000
  0.029  -0.270   2.653   0.008  -0.312  -0.024   0.224  -0.697  -0.018   0.230   0.084  -0.036  -0.111  -0.021  -0.004   0.006
  0.010   0.020   0.008   2.942   0.016  -0.040  -0.011  -0.018  -1.106  -0.007  -0.020   0.004   0.011   0.004  -0.021  -0.000
  0.007  -0.183  -0.312   0.016   3.077  -0.014   0.146   0.230  -0.007  -1.015  -0.141   0.068   0.046  -0.008   0.019   0.008
 -1.169  -0.015  -0.024  -0.040  -0.014   1.222   0.018   0.020   0.066   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.015  -1.058   0.224  -0.011   0.146   0.018   0.978  -0.181   0.003  -0.109   0.062  -0.015  -0.006  -0.137  -0.007   0.000
 -0.024   0.224  -0.697  -0.018   0.230   0.020  -0.181   0.678   0.026  -0.160  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.040  -0.011  -0.018  -1.106  -0.007   0.066   0.003   0.026   1.167   0.001   0.020  -0.006  -0.009  -0.002   0.013   0.000
 -0.014   0.146   0.230  -0.007  -1.015   0.018  -0.109  -0.160   0.001   0.907   0.132  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.062  -0.091   0.020   0.132   2.092  -0.311  -0.041   0.003   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.005   0.002  -0.002
 -0.012  -0.002  -0.111   0.011   0.046   0.011  -0.006   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.137   0.025  -0.002   0.009   0.003  -0.005   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.019  -0.289  -0.007   0.002   0.013  -0.015   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.69: real time    1.69
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.77: real time    3.81
    STRESS:  cpu time    6.62: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   19.25: real time   19.33
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.97: real time   21.06

 eigenvalue-minimisations  :  8944
 total energy-change (2. order) :-0.6378395E-06  (-0.3362489E-06)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0517213 magnetization 

 Broyden mixing:
  rms(total) = 0.38672E-03    rms(broyden)= 0.38666E-03
  rms(prec ) = 0.39946E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4505
  0.9458  0.9458  1.9552  1.9552

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.36199354
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46981058
  PAW double counting   =      9488.10069047    -9416.08501039
  entropy T*S    EENTRO =         0.00485579
  eigenvalues    EBANDS =      -338.50846710
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795756 eV

  energy without entropy =      -49.88281335  energy(sigma->0) =      -49.87957616
7591359  8.750660654  0.921603082     0.002720661  0.115223284  0.002551391
    -2.321272661 -0.103592296  7.153602594    -0.005197438 -0.016839991  0.137859327

  length of vectors
     4.103985508  9.627704002  7.521507044     0.275392252  0.115283637  0.138981267


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.361E+01 -.157E+03 0.271E+02   0.377E+01 0.160E+03 -.274E+02   -.165E+00 -.283E+01 0.277E+00   0.219E-04 0.178E-03 -.145E-03
   0.362E+01 0.157E+03 -.271E+02   -.379E+01 -.160E+03 0.274E+02   0.164E+00 0.283E+01 -.277E+00   -.213E-04 -.180E-03 0.142E-03
   0.290E+01 0.144E+03 0.662E+01   -.300E+01 -.146E+03 -.644E+01   0.105E+00 0.129E+01 -.162E+00   -.186E-04 -.178E-03 0.186E-04
   -.382E-01 -.669E+02 -.417E+02   0.463E-01 0.666E+02 0.426E+02   -.753E-02 0.340E+00 -.833E+00   -.394E-04 0.925E-04 0.209E-03
   0.612E+01 0.969E+02 -.968E+02   -.619E+01 -.981E+02 0.982E+02   0.699E-01 0.126E+01 -.139E+01   0.642E-04 -.237E-03 0.714E-04
   0.108E-01 -.182E-01 0.730E-02   -.109E-01 0.181E-01 -.693E-02   -.100E-03 0.293E-03 -.615E-03   0.398E-05 0.652E-06 -.249E-05
   -.614E+01 -.969E+02 0.967E+02   0.621E+01 0.981E+02 -.981E+02   -.688E-01 -.126E+01 0.139E+01   -.593E-04 0.233E-03 -.692E-04
   -.290E+01 -.144E+03 -.659E+01   0.301E+01 0.146E+03 0.641E+01   -.106E+00 -.129E+01 0.162E+00   0.250E-04 0.181E-03 -.289E-04
   0.678E-01 0.669E+02 0.417E+02   -.756E-01 -.665E+02 -.426E+02   0.633E-02 -.337E+00 0.834E+00   0.394E-04 -.908E-04 -.204E-03
   0.613E-03 0.266E-01 -.102E-01   -.619E-03 -.265E-01 0.981E-02   0.206E-03 -.515E-03 0.475E-03   -.191E-06 -.150E-05 0.295E-06
   0.889E+00 0.973E+01 -.280E+02   -.895E+00 -.954E+01 0.279E+02   0.687E-02 -.191E+00 0.103E+00   -.414E-05 0.330E-04 -.175E-04
   -.903E+00 -.972E+01 0.280E+02   0.909E+00 0.953E+01 -.279E+02   -.647E-02 0.191E+00 -.103E+00   0.247E-05 -.306E-04 0.182E-04
   0.794E+00 -.871E+01 -.208E+02   -.751E+00 0.875E+01 0.205E+02   -.430E-01 -.505E-01 0.277E+00   -.548E-06 0.110E-04 -.388E-05
   -.164E+01 -.619E+02 0.405E+01   0.164E+01 0.619E+02 -.431E+01   0.422E-02 0.733E-01 0.255E+00   -.331E-05 0.551E-04 0.285E-04
   -.807E+00 0.876E+01 0.208E+02   0.765E+00 -.880E+01 -.205E+02   0.437E-01 0.495E-01 -.277E+00   -.145E-05 -.962E-05 0.562E-05
   0.165E+01 0.619E+02 -.404E+01   -.164E+01 -.619E+02 0.430E+01   -.436E-02 -.736E-01 -.255E+00   0.312E-05 -.584E-04 -.280E-04
 -----------------------------------------------------------------------------------------------
   -.241E-03 -.244E-03 0.411E-05   -.289E-14 -.284E-13 -.213E-13   0.209E-03 0.112E-02 0.448E-04   0.117E-04 -.140E-05 -.582E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06812      6.36373      7.89477         0.000923     -0.008748     -0.014573
     -2.90743      8.14770      4.53324        -0.001190      0.008758      0.014662
     -1.04445      1.16077      4.61952         0.003482      0.006984      0.012968
     -2.90027      5.23967      2.40849         0.000541     -0.002671     -0.000076
      1.19290      1.83244      0.30904         0.001549     -0.001897      0.006545
     -3.08416      2.93032      5.68210        -0.000215      0.000102     -0.000250
     -0.93977      4.03182      4.04374        -0.000945      0.001855     -0.006207
     -1.02357      4.60000      6.88680        -0.003454     -0.006800     -0.013140
      3.15355      0.62427      1.94416        -0.001360      0.003618      0.000271
     -5.03792      7.30586      6.14278         0.000201     -0.000498      0.000118
     -0.84751      3.63579      1.26358         0.000912     -0.002001     -0.001076
      1.10049      2.22855      3.08925        -0.000803      0.001998      0.000928
     -0.84712      6.70294      3.45829        -0.000880     -0.005963      0.003483
     -2.99374      5.52846      5.14781        -0.000746      0.005946     -0.004639
     -2.80741      7.91213      1.81616         0.001326      0.005598     -0.003688
      0.92569      0.23233      6.35854         0.000659     -0.006283      0.004673
 -----------------------------------------------------------------------------------
    total drift:                               -0.000021      0.000877      0.000043


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87741384 eV

  energy  without entropy=      -49.88259824  energy(sigma->0) =      -49.87914197
 
 d Force = 0.1140802E-03[ 0.689E-04, 0.159E-03]  d Energy = 0.3040123E-03-0.190E-03
 d Force =-0.1295256E+01[-0.130E+01,-0.129E+01]  d Ewald  =-0.5332013E+01 0.404E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.09


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  163.71: real time  166.09


----------------------------------------- Iteration    9(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.59: real time   15.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.34: real time   17.40

 eigenvalue-minimisa     EDDAV:  cpu time   15.04: real time   15.10
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.07: real time   15.14

 eigenvalue-minimisations  :  6288
 total energy-change (2. order) :-0.5554284E-07  (-0.1757640E-07)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0517213 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.36076587
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46974546
  PAW double counting   =      9488.08208253    -9416.06548586
  entropy T*S    EENTRO =         0.00485562
  eigenvalues    EBANDS =      -338.51054612
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795762 eV

  energy without entropy =      -49.88281323  energy(sigma->0) =      -49.87957616
-----------------------------




----------------------------------------- Iteration    9(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.75: real time   17.82
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.48: real time   19.56

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.7804220E-04  (-0.8517246E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0528815 magnetization 

 Broyden mixing:
  rms(total) = 0.32663E-02    rms(broyden)= 0.32662E-02
  rms(prec ) = 0.38906E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8292
  0.8292

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.29331128
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45724736
  PAW double counting   =      9486.45058379    -9414.40184123
  entropy T*S    EENTRO =         0.00512246
  eigenvalues    EBANDS =      -338.67935495
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87753193 eV

  energy without entropy =      -49.88265438  energy(sigma->0) =      -49.87923941
  23       1.0966      2.00000
     24       1.1864      2.00000
     25       1.2201      2.00000
     26       1.2812      2.00000
     27       1.3118      2.00000
     28       1.5815      2.00000
     29       1.6505      2.00000
     30       1.7144      2.00000
     31       1.7412      2.00000
     32       1.7936      2.00000
     33       1.9210      2.00000
     34       1.9422      2.00000
     35       2.1503      2.00000
     36       2.1744      2.00000
     37       2.2789      2.00000
     38       2.3101      2.00000
     39       2.4502      2.00000
     40       2.5303      2.00000
     41       2.5870      2.00000
     42       2.6388      2.00000
     43       2.7291      2.00000
     44       2.8698      2.00000
     45       2.8730      2.00000
     46       2.9069      2.00000
     47       3.0034      2.00000
     48       3.0462      2.00000
     49       3.0996      2.00000
     50       3.1305      2.00000
     51       3.3309      2.00000
     52       3.3837      2.00000
     53       3.5047      2.00000
     54       3.5854      2.00000
     55       3.8982      2.00000
     56       4.0746      2.00000
     57       4.2310      2.00000
     58       4.2330      2.00000
     59       4.9599      2.00000
     60       5.6208      2.01564
     61       6.2901     -0.06744
     62       8.1790     -0.00000
     63       8.2904     -0.00000
     64       8.3290     -0.00000
     65       8.9321     -0.00000
     66       9.6775     -0.00000
     67      10.3927     -0.00000
     68      10.7397     -0.00000
     69      11.4921      0.00000
     70      11.7707      0.00000
     71      11.8337      0.00000
     72      12.0555      0.00000
     73      12.2775      0.00000
     74      12.3460      0.00000
     75      12.5280      0.00000
     76      12.8054      0.00000
     77      13.2963      0.00000
     78      13.6743      0.00000
     79      13.7937      0.00000
     80      14.6455      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6740      2.00000
      9      -0.5763      2.00000
     10      -0.2740      2.00000
     11       0.2606      2.00000
     12       0.2789      2.00000
     13       0.3858      2.00000
     14       0.4637      2.00000
     15       0.5978      2.00000
     16       0.6106      2.00000
     17       0.7298      2.00000
     18       0.8231      2.00000
     19       0.9083      2.00000
     20       0.9330      2.00000
     21       0.9746      2.00000
     22       1.0980      2.00000
     23       1.1176      2.00000
     24       1.1978      2.00000
     25       1.2486      2.00000
     26       1.3479      2.00000
     27       1.3819      2.00000
     28       1.4954      2.00000
     29       1.6283      2.00000
     30       1.6613      2.00000
     31       1.7517      2.00000
     32       1.8226      2.00000
     33       1.8564      2.00000
     34       2.0107      2.00000
     35       2.0377      2.00000
     36       2.1747      2.00000
     37       2.2523      2.00000
     38       2.3617      2.00000
     39       2.4565      2.00000
     40       2.5061      2.00000
     41       2.5663      2.00000
     42       2.6077      2.00000
     43       2.6856      2.00000
     44       2.7361      2.00000
     45       2.8041      2.00000
     46       2.8234      2.00000
     47       2.9253      2.00000
     48       3.0531      2.00000
     49       3.1135      2.00000
     50       3.1970      2.00000
     51       3.2398      2.00000
     52       3.2702      2.00000
     53       3.4187      2.00000
     54       3.6181      2.00000
     55       3.7177      2.00000
     56       3.8521      2.00000
     57       4.0975      2.00000
     58       4.5859      2.00000
     59       5.5204      2.00223
     60       6.2869     -0.06828
     61       6.7969     -0.00000
     62       7.1006     -0.00000
     63       7.7185     -0.00000
     64       8.1537     -0.00000
     65       8.5885     -0.00000
     66       8.7241     -0.00000
     67       9.6357     -0.00000
     68      10.3020     -0.00000
     69      10.6242     -0.00000
     70      10.6660     -0.00000
     71      11.1357     -0.00000
     72      11.7252      0.00000
     73      12.5623      0.00000
     74      12.9572      0.00000
     75      13.2300      0.00000
     76      13.2995      0.00000
     77      13.4873      0.00000
     78      13.8581      0.00000
     79      14.4525      0.00000
     80      14.7246      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0334      2.00000
      9      -0.4138      2.00000
     10      -0.1267      2.00000
     11       0.3199      2.00000
     12       0.4204      2.00000
     13       0.4978      2.00000
     14       0.5847      2.00000
     15       0.6449      2.00000
     16       0.7340      2.00000
     17       0.8393      2.00000
     18       0.9152      2.00000
     19       0.9965      2.00000
     20       1.0430      2.00000
     21       1.0758      2.00000
     22       1.1732      2.00000
     23       1.2286      2.00000
     24       1.2792      2.00000
     25       1.3083      2.00000
     26       1.3569      2.00000
     27       1.4538      2.00000
     28       1.5525      2.00000
     29       1.6054      2.00000
     30       1.7254      2.00000
     31       1.8139      2.00000
     32       1.8593      2.00000
     33       1.9598      2.00000
     34       2.0175      2.00000
     35       2.1112      2.00000
     36       2.1248      2.00000
     37       2.1920      2.00000
     38       2.2562      2.00000
     39       2.3068      2.00000
     40       2.4020      2.00000
     41       2.4925      2.00000
     42       2.5405      2.00000
     43       2.6568      2.00000
     44       2.6972      2.00000
     45       2.7448      2.00000
     46       2.7966      2.00000
     47       2.8401      2.00000
     48       2.9260      2.00000
     49       3.0142      2.00000
     50       3.1001      2.00000
     51       3.1432      2.00000
     52       3.2359      2.00000
     53       3.3627      2.00000
     54       3.4606      2.00000
     55       3.5842      2.00000
     56       3.8222      2.00000
     57       4.6163      2.00000
     58       5.0134      2.00000
     59       5.4476      2.00037
     60       5.7896      2.06962
     61       6.4872     -0.00488
     62       6.8429     -0.00000
     63       6.9886     -0.00000
     64       7.5332     -0.00000
     65       7.9944     -0.00000
     66       8.3494     -0.00000
     67       8.6833     -0.00000
     68       9.4231     -0.00000
     69       9.8090     -0.00000
     70      10.3582     -0.00000
     71      10.4759     -0.00000
     72      10.7963     -0.00000
     73      11.4125     -0.00000
     74      12.1866      0.00000
     75      13.1328      0.00000
     76      13.7059      0.00000
     77      13.7683      0.00000
     78      13.8854      0.00000
     79      14.2848      0.00000
     80      14.6959      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3914      2.00000
      9      -0.1106      2.00000
     10       0.0907      2.00000
     11       0.1621      2.00000
     12       0.4837      2.00000
     13       0.5088      2.00000
     14       0.5593      2.00000
     15       0.6346      2.00000
     16       0.8245      2.00000
     17       0.9177      2.00000
     18       0.9321      2.00000
     19       1.1127      2.00000
     20       1.1699      2.00000
     21       1.1839      2.00000
     22       1.2655      2.00000
     23       1.3706      2.00000
     24       1.3888      2.00000
     25       1.4059      2.00000
     26       1.4779      2.00000
     27       1.5188      2.00000
     28       1.6442      2.00000
     29       1.6839      2.00000
     30       1.7329      2.00000
     31       1.8059      2.00000
     32       1.9129      2.00000
     33       1.9578      2.00000
     34       2.0629      2.00000
     35       2.1479      2.00000
     36       2.1662      2.00000
     37       2.1848      2.00000
     38       2.2802      2.00000
     39       2.3157      2.00000
     40       2.3747      2.00000
     41       2.4647      2.00000
     42       2.4832      2.00000
     43       2.5516      2.00000
     44       2.6413      2.00000
     45       2.6710      2.00000
     46       2.7602      2.00000
     47       2.8041      2.00000
     48       2.8414      2.00000
     49       2.9254      2.00000
     50       3.0610      2.00000
     51       3.1650      2.00000
     52       3.2700      2.00000
     53       3.3653      2.00000
     54       3.5574      2.00000
     55       3.6392      2.00000
     56       3.8292      2.00000
     57       4.1515      2.00000
     58       4.3007      2.00000
     59       5.1402      2.00000
     60       5.8659      1.97028
     61       6.0549      0.72694
     62       6.1799      0.02583
     63       6.8191     -0.00000
     64       7.0818     -0.00000
     65       7.6668     -0.00000
     66       8.2192     -0.00000
     67       8.4901     -0.00000
     68       8.8396     -0.00000
     69       9.4926     -0.00000
     70       9.7790     -0.00000
     71      10.5275     -0.00000
     72      10.9740     -0.00000
     73      11.1321     -0.00000
     74      11.7929      0.00000
     75      12.2824      0.00000
     76      12.7759      0.00000
     77      13.4067      0.00000
     78      13.7835      0.00000
     79      13.9673      0.00000
     80      14.6595      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4460      2.00000
      9      -0.1804      2.00000
     10       0.0365      2.00000
     11       0.1360      2.00000
     12       0.5038      2.00000
     13       0.5257      2.00000
     14       0.7048      2.00000
     15       0.7398      2.00000
     16       0.8739      2.00000
     17       0.9132      2.00000
     18       0.9899      2.00000
     19       1.0656      2.00000
     20       1.0876      2.00000
     21       1.2392      2.00000
     22       1.2761      2.00000
     23       1.3280      2.00000
     24       1.3854      2.00000
     25       1.3952      2.00000
     26       1.4467      2.00000
     27       1.4955      2.00000
     28       1.6692      2.00000
     29       1.6997      2.00000
     30       1.7460      2.00000
     31       1.8026      2.00000
     32       1.8812      2.00000
     33       1.9064      2.00000
     34       2.0455      2.00000
     35       2.0856      2.00000
     36       2.1472      2.00000
     37       2.1645      2.00000
     38       2.2320      2.00000
     39       2.3411      2.00000
     40       2.4424      2.00000
     41       2.4663      2.00000
     42       2.5436      2.00000
     43       2.5849      2.00000
     44       2.6290      2.00000
     45       2.6765      2.00000
     46       2.7334      2.00000
     47       2.8118      2.00000
     48       2.8499      2.00000
     49       2.9098      2.00000
     50       3.0993      2.00000
     51       3.1823      2.00000
     52       3.2071      2.00000
     53       3.5220      2.00000
     54       3.5535      2.00000
     55       3.7442      2.00000
     56       4.2066      2.00000
     57       4.3956      2.00000
     58       4.5681      2.00000
     59       4.7265      2.00000
     60       5.1901      2.00000
     61       5.6252      2.01678
     62       6.0852      0.49435
     63       6.1025      0.37672
     64       7.1114     -0.00000
     65       8.2627     -0.00000
     66       8.3962     -0.00000
     67       8.9120     -0.00000
     68       9.1510     -0.00000
     69       9.2545     -0.00000
     70       9.9681     -0.00000
     71      10.4739     -0.00000
     72      10.6068     -0.00000
     73      11.3628     -0.00000
     74      11.9367      0.00000
     75      12.5857      0.00000
     76      13.1497      0.00000
     77      13.5166      0.00000
     78      13.8855      0.00000
     79      14.1354      0.00000
     80      14.4578      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6145      2.00000
      7     -39.6052      2.00000
      8      -1.1637      2.00000
      9      -0.4825      2.00000
     10       0.0234      2.00000
     11       0.1472      2.00000
     12       0.5191      2.00000
     13       0.5858      2.00000
     14       0.6497      2.00000
     15       0.6868      2.00000
     16       0.8202      2.00000
     17       0.8353      2.00000
     18       0.8702      2.00000
     19       0.9574      2.00000
     20       1.0881      2.00000
     21       1.1271      2.00000
     22       1.1881      2.00000
     23       1.2085      2.00000
     24       1.3050      2.00000
     25       1.3378      2.00000
     26       1.3949      2.00000
     27       1.4456      2.00000
     28       1.4750      2.00000
     29       1.6374      2.00000
     30       1.7369      2.00000
     31       1.7644      2.00000
     32       1.8413      2.00000
     33       1.9006      2.00000
     34       1.9614      2.00000
     35       2.0584      2.00000
     36       2.1607      2.00000
     37       2.2287      2.00000
     38       2.2966      2.00000
     39       2.3651      2.00000
     40       2.4441      2.00000
     41       2.5204      2.00000
     42       2.5580      2.00000
     43       2.6056      2.00000
     44       2.6596      2.00000
     45       2.7695      2.00000
     46       2.7936      2.00000
     47       2.8783      2.00000
     48       2.8909      2.00000
     49       3.0494      2.00000
     50       3.0913      2.00000
     51       3.1393      2.00000
     52       3.2084      2.00000
     53       3.3177      2.00000
     54       3.5333      2.00000
     55       3.7024      2.00000
     56       4.1025      2.00000
     57       4.4596      2.00000
     58       4.8494      2.00000
     59       5.4999      2.00139
     60       5.7099      2.04971
     61       6.0859      0.48981
     62       6.3636     -0.03646
     63       6.9698     -0.00000
     64       7.1850     -0.00000
     65       7.5867     -0.00000
     66       8.2332     -0.00000
     67       8.9717     -0.00000
     68       9.2517     -0.00000
     69      10.2469     -0.00000
     70      11.0495     -0.00000
     71      11.3118     -0.00000
     72      11.6879      0.00000
     73      12.1298      0.00000
     74      12.3780      0.00000
     75      12.7992      0.00000
     76      13.4316      0.00000
     77      13.6381      0.00000
     78      13.9019      0.00000
     79      14.2995      0.00000
     80      14.4155      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6533      2.00000
      5     -39.6531      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.7580      2.00000
      9      -0.6396      2.00000
     10       0.0404      2.00000
     11       0.1803      2.00000
     12       0.3288      2.00000
     13       0.3364      2.00000
     14       0.4025      2.00000
     15       0.6249      2.00000
     16       0.6436      2.00000
     17       0.7312      2.00000
     18       0.8103      2.00000
     19       0.8832      2.00000
     20       0.9070      2.00000
     21       1.0612      2.00000
     22       1.0644      2.00000
     23       1.1517      2.00000
     24       1.2175      2.00000
     25       1.2765      2.00000
     26       1.3013      2.00000
     27       1.3319      2.00000
     28       1.4616      2.00000
     29       1.6643      2.00000
     30       1.6819      2.00000
     31       1.7699      2.00000
     32       1.8300      2.00000
     33       1.9047      2.00000
     34       1.9240      2.00000
     35       2.0773      2.00000
     36       2.1547      2.00000
     37       2.2880      2.00000
     38       2.3372      2.00000
     39       2.3837      2.00000
     40       2.4846      2.00000
     41       2.5212      2.00000
     42       2.6218      2.00000
     43       2.7422      2.00000
     44       2.7975      2.00000
     45       2.8284      2.00000
     46       2.8724      2.00000
     47       2.9351      2.00000
     48       3.0244      2.00000
     49       3.0908      2.00000
     50       3.1263      2.00000
     51       3.2102      2.00000
     52       3.2675      2.00000
     53       3.4377      2.00000
     54       3.6811      2.00000
     55       3.7951      2.00000
     56       3.9501      2.00000
     57       4.1250      2.00000
     58       4.8643      2.00000
     59       5.0436      2.00000
     60       5.5638      2.00558
     61       6.7334     -0.00001
     62       7.1780     -0.00000
     63       7.7317     -0.00000
     64       8.2319     -0.00000
     65       8.6873     -0.00000
     66       8.9819     -0.00000
     67       9.3916     -0.00000
     68      10.1962     -0.00000
     69      10.7724     -0.00000
     70      10.8381     -0.00000
     71      11.4206     -0.00000
     72      12.4768      0.00000
     73      12.9025      0.00000
     74      13.0712      0.00000
     75      13.2644      0.00000
     76      13.4505      0.00000
     77      13.8112      0.00000
     78      13.8843      0.00000
     79      14.3180      0.00000
     80      14.4293      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9169      2.00000
      2     -39.9097      2.00000
      3     -39.7749      2.00000
      4     -39.6535      2.00000
      5     -39.6530      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.8664      2.00000
      9      -0.8997      2.00000
     10      -0.0338      2.00000
     11       0.1612      2.00000
     12       0.2100      2.00000
     13       0.2928      2.00000
     14       0.4270      2.00000
     15       0.5775      2.00000
     16       0.6082      2.00000
     17       0.6208      2.00000
     18       0.6859      2.00000
     19       0.7709      2.00000
     20       0.8435      2.00000
     21       0.9351      2.00000
     22       1.0374      2.00000
     23       1.0789      2.00000
     24       1.2484      2.00000
     25       1.2973      2.00000
     26       1.3916      2.00000
     27       1.4138      2.00000
     28       1.5898      2.00000
     29       1.6069      2.00000
     30       1.6493      2.00000
     31       1.7046      2.00000
     32       1.8042      2.00000
     33       1.8842      2.00000
     34       1.9450      2.00000
     35       2.1708      2.00000
     36       2.2212      2.00000
     37       2.2357      2.00000
     38       2.2968      2.00000
     39       2.4440      2.00000
     40       2.5008      2.00000
     41       2.6220      2.00000
     42       2.6601      2.00000
     43       2.6672      2.00000
     44       2.8221      2.00000
     45       2.8414      2.00000
     46       2.8873      2.00000
     47       2.9074      2.00000
     48       3.0602      2.00000
     49       3.1082      2.00000
     50       3.1471      2.00000
     51       3.3235      2.00000
     52       3.3641      2.00000
     53       3.4608      2.00000
     54       3.6348      2.00000
     55       3.9617      2.00000
     56       4.2225      2.00000
     57       4.2344      2.00000
     58       4.3447      2.00000
     59       4.9021      2.00000
     60       6.2815     -0.06946
     61       6.5029     -0.00352
     62       6.9232     -0.00000
     63       7.1802     -0.00000
     64       8.8245     -0.00000
     65       9.5534     -0.00000
     66       9.7185     -0.00000
     67       9.9026     -0.00000
     68      10.9920     -0.00000
     69      11.2079     -0.00000
     70      11.2995     -0.00000
     71      11.4544     -0.00000
     72      12.3180      0.00000
     73      12.6932      0.00000
     74      13.1368      0.00000
     75      13.3953      0.00000
     76      13.5274      0.00000
     77      13.8294      0.00000
     78      13.9917      0.00000
     79      14.2784      0.00000
     80      14.5394      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.5857      2.00000
      9      -0.8187      2.00000
     10      -0.1504      2.00000
     11       0.2256      2.00000
     12       0.2630      2.00000
     13       0.4218      2.00000
     14       0.5006      2.00000
     15       0.5744      2.00000
     16       0.6162      2.00000
     17       0.6867      2.00000
     18       0.7851      2.00000
     19       0.8845      2.00000
     20       0.9558      2.00000
     21       0.9830      2.00000
     22       1.0502      2.00000
     23       1.1562      2.00000
     24       1.2146      2.00000
     25       1.2940      2.00000
     26       1.3659      2.00000
     27       1.4019      2.00000
     28       1.5271      2.00000
     29       1.5629      2.00000
     30       1.6177      2.00000
     31       1.6705      2.00000
     32       1.8891      2.00000
     33       1.9682      2.00000
     34       2.0182      2.00000
     35       2.1618      2.00000
     36       2.1856      2.00000
     37       2.2688      2.00000
     38       2.3173      2.00000
     39       2.3650      2.00000
     40       2.3908      2.00000
     41       2.4506      2.00000
     42       2.6578      2.00000
     43       2.6722      2.00000
     44       2.7729      2.00000
     45       2.7916      2.00000
     46       2.8398      2.00000
     47       2.9823      2.00000
     48       3.0120      2.00000
     49       3.1171      2.00000
     50       3.1799      2.00000
     51       3.1869      2.00000
     52       3.3068      2.00000
     53       3.4584      2.00000
     54       3.6504      2.00000
     55       3.7025      2.00000
     56       3.8922      2.00000
     57       4.4346      2.00000
     58       4.9001      2.00000
     59       5.5492      2.00415
     60       5.8581      1.99019
     61       6.5008     -0.00368
     62       7.0489     -0.00000
     63       7.5250     -0.00000
     64       8.0736     -0.00000
     65       8.3057     -0.00000
     66       8.9240     -0.00000
     67       9.4116     -0.00000
     68       9.6754     -0.00000
     69      10.4629     -0.00000
     70      12.0134      0.00000
     71      12.3077      0.00000
     72      12.4006      0.00000
     73      12.5609      0.00000
     74      12.7260      0.00000
     75      12.8443      0.00000
     76      13.3305      0.00000
     77      13.6082      0.00000
     78      13.9259      0.00000
     79      14.0122      0.00000
     80      14.4170      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0288      2.00000
      9      -0.3881      2.00000
     10      -0.1355      2.00000
     11       0.3194      2.00000
     12       0.3957      2.00000
     13       0.4934      2.00000
     14       0.5304      2.00000
     15       0.6707      2.00000
     16       0.7799      2.00000
     17       0.8122      2.00000
     18       0.9306      2.00000
     19       0.9396      2.00000
     20       1.0285      2.00000
     21       1.0721      2.00000
     22       1.1602      2.00000
     23       1.2169      2.00000
     24       1.3030      2.00000
     25       1.3497      2.00000
     26       1.4096      2.00000
     27       1.4760      2.00000
     28       1.5459      2.00000
     29       1.6109      2.00000
     30       1.7530      2.00000
     31       1.8232      2.00000
     32       1.8865      2.00000
     33       1.9229      2.00000
     34       1.9881      2.00000
     35       2.0435      2.00000
     36       2.0832      2.00000
     37       2.1369      2.00000
     38       2.2131      2.00000
     39       2.3138      2.00000
     40       2.4661      2.00000
     41       2.5031      2.00000
     42       2.5642      2.00000
     43       2.6249      2.00000
     44       2.6833      2.00000
     45       2.7966      2.00000
     46       2.8225      2.00000
     47       2.8745      2.00000
     48       2.9211      2.00000
     49       2.9722      2.00000
     50       3.0838      2.00000
     51       3.1708      2.00000
     52       3.2473      2.00000
     53       3.2843      2.00000
     54       3.4691      2.00000
     55       3.6092      2.00000
     56       4.0120      2.00000
     57       4.4785      2.00000
     58       5.2554      2.00000
     59       5.6820      2.03704
     60       5.9020      1.84081
     61       6.2943     -0.06620
     62       6.5232     -0.00226
     63       6.6986     -0.00002
     64       7.4444     -0.00000
     65       7.6918     -0.00000
     66       8.1085     -0.00000
     67       9.1392     -0.00000
     68       9.8378     -0.00000
     69       9.9451     -0.00000
     70      10.1175     -0.00000
     71      11.1075     -0.00000
     72      11.1888     -0.00000
     73      11.7628      0.00000
     74      12.0808      0.00000
     75      12.4246      0.00000
     76      12.7685      0.00000
     77      13.2923      0.00000
     78      13.6760      0.00000
     79      14.0645      0.00000
     80      14.4119      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3918      2.00000
      9      -0.0888      2.00000
     10       0.0696      2.00000
     11       0.1435      2.00000
     12       0.4155      2.00000
     13       0.5162      2.00000
     14       0.6029      2.00000
     15       0.7117      2.00000
     16       0.8505      2.00000
     17       0.9021      2.00000
     18       0.9128      2.00000
     19       1.0945      2.00000
     20       1.1515      2.00000
     21       1.1804      2.00000
     22       1.2449      2.00000
     23       1.3148      2.00000
     24       1.4007      2.00000
     25       1.4592      2.00000
     26       1.4926      2.00000
     27       1.5939      2.00000
     28       1.6669      2.00000
     29       1.7108      2.00000
     30       1.7299      2.00000
     31       1.8341      2.00000
     32       1.8797      2.00000
     33       1.9589      2.00000
     34       1.9807      2.00000
     35       2.0731      2.00000
     36       2.1231      2.00000
     37       2.2358      2.00000
     38       2.3017      2.00000
     39       2.3468      2.00000
     40       2.3910      2.00000
     41       2.4569      2.00000
     42       2.5131      2.00000
     43       2.5260      2.00000
     44       2.6255      2.00000
     45       2.6903      2.00000
     46       2.7325      2.00000
     47       2.7948      2.00000
     48       2.8445      2.00000
     49       2.8715      2.00000
     50       3.0688      2.00000
     51       3.1405      2.00000
     52       3.2701      2.00000
     53       3.3258      2.00000
     54       3.4819      2.00000
     55       3.5886      2.00000
     56       3.7351      2.00000
     57       4.4146      2.00000
     58       4.7798      2.00000
     59       5.1309      2.00000
     60       5.6615      2.02863
     61       5.9529      1.54870
     62       6.2105     -0.03593
     63       6.5161     -0.00265
     64       6.7349     -0.00001
     65       7.7485     -0.00000
     66       8.0518     -0.00000
     67       8.5102     -0.00000
     68       9.3196     -0.00000
     69       9.7558     -0.00000
     70      10.1760     -0.00000
     71      10.8705     -0.00000
     72      10.9748     -0.00000
     73      11.3783     -0.00000
     74      11.5826      0.00000
     75      12.1198      0.00000
     76      12.4566      0.00000
     77      13.1358      0.00000
     78      13.4273      0.00000
     79      14.0249      0.00000
     80      14.2873      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4427      2.00000
      9      -0.1571      2.00000
     10      -0.0393      2.00000
     11       0.1358      2.00000
     12       0.5471      2.00000
     13       0.6631      2.00000
     14       0.6991      2.00000
     15       0.7272      2.00000
     16       0.7974      2.00000
     17       0.8816      2.00000
     18       0.9535      2.00000
     19       1.0793      2.00000
     20       1.1048      2.00000
     21       1.1368      2.00000
     22       1.2612      2.00000
     23       1.3349      2.00000
     24       1.3668      2.00000
     25       1.3921      2.00000
     26       1.5419      2.00000
     27       1.5873      2.00000
     28       1.6691      2.00000
     29       1.7134      2.00000
     30       1.7607      2.00000
     31       1.8168      2.00000
     32       1.8540      2.00000
     33       1.9596      2.00000
     34       2.0028      2.00000
     35       2.0912      2.00000
     36       2.1623      2.00000
     37       2.2397      2.00000
     38       2.3284      2.00000
     39       2.3395      2.00000
     40       2.4479      2.00000
     41       2.4691      2.00000
     42       2.4940      2.00000
     43       2.5192      2.00000
     44       2.5641      2.00000
     45       2.5819      2.00000
     46       2.7221      2.00000
     47       2.7607      2.00000
     48       2.8116      2.00000
     49       2.8814      2.00000
     50       3.1260      2.00000
     51       3.1631      2.00000
     52       3.2877      2.00000
     53       3.5117      2.00000
     54       3.5745      2.00000
     55       3.6467      2.00000
     56       4.0745      2.00000
     57       4.4104      2.00000
     58       4.5213      2.00000
     59       5.0047      2.00000
     60       5.1499      2.00000
     61       5.8153      2.05663
     62       6.1452      0.14666
     63       6.5133     -0.00281
     64       7.1544     -0.00000
     65       7.2569     -0.00000
     66       7.7757     -0.00000
     67       8.3393     -0.00000
     68       9.5450     -0.00000
     69       9.9827     -0.00000
     70      10.5786     -0.00000
     71      10.9935     -0.00000
     72      11.2548     -0.00000
     73      11.7980      0.00000
     74      12.0384      0.00000
     75      12.2734      0.00000
     76      12.8839      0.00000
     77      13.1361      0.00000
     78      13.3331      0.00000
     79      14.1333      0.00000
     80      14.3399      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6530      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.2092      2.00000
      9      -0.3482      2.00000
     10      -0.0783      2.00000
     11       0.1065      2.00000
     12       0.5471      2.00000
     13       0.5705      2.00000
     14       0.6372      2.00000
     15       0.7109      2.00000
     16       0.8433      2.00000
     17       0.8768      2.00000
     18       0.9436      2.00000
     19       1.0010      2.00000
     20       1.0837      2.00000
     21       1.1080      2.00000
     22       1.1725      2.00000
     23       1.2463      2.00000
     24       1.2621      2.00000
     25       1.3180      2.00000
     26       1.3852      2.00000
     27       1.3916      2.00000
     28       1.5528      2.00000
     29       1.6765      2.00000
     30       1.6992      2.00000
     31       1.8152      2.00000
     32       1.8816      2.00000
     33       1.9274      2.00000
     34       2.0056      2.00000
     35       2.0253      2.00000
     36       2.0546      2.00000
     37       2.1585      2.00000
     38       2.2056      2.00000
     39       2.4005      2.00000
     40       2.4399      2.00000
     41       2.4917      2.00000
     42       2.5393      2.00000
     43       2.6197      2.00000
     44       2.6621      2.00000
     45       2.7692      2.00000
     46       2.8562      2.00000
     47       2.8848      2.00000
     48       2.9178      2.00000
     49       3.0216      2.00000
     50       3.0545      2.00000
     51       3.1022      2.00000
     52       3.1929      2.00000
     53       3.2830      2.00000
     54       3.5307      2.00000
     55       3.6540      2.00000
     56       4.0078      2.00000
     57       4.3365      2.00000
     58       5.3283      2.00001
     59       5.4744      2.00075
     60       5.6671      2.03081
     61       5.8420      2.02300
     62       6.6329     -0.00014
     63       6.9621     -0.00000
     64       7.4644     -0.00000
     65       7.8357     -0.00000
     66       7.8997     -0.00000
     67       8.4596     -0.00000
     68       9.6855     -0.00000
     69       9.9887     -0.00000
     70      10.4247     -0.00000
     71      11.7597      0.00000
     72      12.2434      0.00000
     73      12.5602      0.00000
     74      12.8864      0.00000
     75      13.0875      0.00000
     76      13.4004      0.00000
     77      13.4569      0.00000
     78      13.5423      0.00000
     79      13.8907      0.00000
     80      14.1007      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6533      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.7454      2.00000
      9      -0.6739      2.00000
     10       0.0102      2.00000
     11       0.2332      2.00000
     12       0.3185      2.00000
     13       0.3393      2.00000
     14       0.4021      2.00000
     15       0.6259      2.00000
     16       0.6394      2.00000
     17       0.7164      2.00000
     18       0.8085      2.00000
     19       0.8747      2.00000
     20       0.9538      2.00000
     21       1.0187      2.00000
     22       1.0859      2.00000
     23       1.1533      2.00000
     24       1.2285      2.00000
     25       1.2589      2.00000
     26       1.3344      2.00000
     27       1.3969      2.00000
     28       1.4379      2.00000
     29       1.6045      2.00000
     30       1.6792      2.00000
     31       1.7240      2.00000
     32       1.8239      2.00000
     33       1.8763      2.00000
     34       1.9574      2.00000
     35       2.1343      2.00000
     36       2.1918      2.00000
     37       2.2605      2.00000
     38       2.3104      2.00000
     39       2.3981      2.00000
     40       2.5156      2.00000
     41       2.5375      2.00000
     42       2.6124      2.00000
     43       2.7249      2.00000
     44       2.7602      2.00000
     45       2.8027      2.00000
     46       2.8823      2.00000
     47       2.9649      2.00000
     48       2.9977      2.00000
     49       3.1198      2.00000
     50       3.1589      2.00000
     51       3.2095      2.00000
     52       3.2871      2.00000
     53       3.4339      2.00000
     54       3.6323      2.00000
     55       3.7823      2.00000
     56       3.9547      2.00000
     57       4.1564      2.00000
     58       4.5089      2.00000
     59       5.2859      2.00000
     60       6.0626      0.66500
     61       6.5867     -0.00049
     62       6.9955     -0.00000
     63       7.7981     -0.00000
     64       8.0743     -0.00000
     65       8.3175     -0.00000
     66       8.7207     -0.00000
     67       9.6858     -0.00000
     68      10.4576     -0.00000
     69      10.9170     -0.00000
     70      11.0418     -0.00000
     71      11.3086     -0.00000
     72      12.5059      0.00000
     73      12.8886      0.00000
     74      13.0419      0.00000
     75      13.1621      0.00000
     76      13.5055      0.00000
     77      13.5926      0.00000
     78      13.9462      0.00000
     79      14.3532      0.00000
     80      14.4808      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6535      2.00000
      5     -39.6530      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.8585      2.00000
      9      -0.9367      2.00000
     10       0.0364      2.00000
     11       0.1683      2.00000
     12       0.2073      2.00000
     13       0.2872      2.00000
     14       0.4202      2.00000
     15       0.5892      2.00000
     16       0.6105      2.00000
     17       0.6196      2.00000
     18       0.6887      2.00000
     19       0.7208      2.00000
     20       0.8377      2.00000
     21       0.9493      2.00000
     22       1.0873      2.00000
     23       1.1024      2.00000
     24       1.1989      2.00000
     25       1.2689      2.00000
     26       1.3505      2.00000
     27       1.3605      2.00000
     28       1.5523      2.00000
     29       1.6493      2.00000
     30       1.6911      2.00000
     31       1.7105      2.00000
     32       1.7990      2.00000
     33       1.8689      2.00000
     34       1.8979      2.00000
     35       2.1233      2.00000
     36       2.2194      2.00000
     37       2.2545      2.00000
     38       2.3896      2.00000
     39       2.4355      2.00000
     40       2.5278      2.00000
     41       2.5938      2.00000
     42       2.6228      2.00000
     43       2.6777      2.00000
     44       2.8500      2.00000
     45       2.8698      2.00000
     46       2.9852      2.00000
     47       3.0439      2.00000
     48       3.0558      2.00000
     49       3.1250      2.00000
     50       3.1932      2.00000
     51       3.2781      2.00000
     52       3.3169      2.00000
     53       3.5465      2.00000
     54       3.6505      2.00000
     55       3.9205      2.00000
     56       3.9400      2.00000
     57       4.2188      2.00000
     58       4.4076      2.00000
     59       5.0019      2.00000
     60       5.5943      2.00994
     61       6.2214     -0.04951
     62       7.7631     -0.00000
     63       8.1603     -0.00000
     64       8.6184     -0.00000
     65       8.6557     -0.00000
     66       9.7838     -0.00000
     67      10.4039     -0.00000
     68      10.5961     -0.00000
     69      10.8154     -0.00000
     70      11.2555     -0.00000
     71      11.7541      0.00000
     72      12.4676      0.00000
     73      12.7210      0.00000
     74      12.8312      0.00000
     75      13.1427      0.00000
     76      13.2500      0.00000
     77      13.6855      0.00000
     78      14.4330      0.00000
     79      14.4982      0.00000
     80      14.5692      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6566      2.00000
      9      -0.6563      2.00000
     10      -0.2079      2.00000
     11       0.2446      2.00000
     12       0.2895      2.00000
     13       0.4334      2.00000
     14       0.4365      2.00000
     15       0.5889      2.00000
     16       0.6302      2.00000
     17       0.7226      2.00000
     18       0.7781      2.00000
     19       0.8712      2.00000
     20       0.9385      2.00000
     21       0.9839      2.00000
     22       1.0780      2.00000
     23       1.1435      2.00000
     24       1.1779      2.00000
     25       1.2507      2.00000
     26       1.3614      2.00000
     27       1.3771      2.00000
     28       1.4959      2.00000
     29       1.6228      2.00000
     30       1.6454      2.00000
     31       1.7429      2.00000
     32       1.8788      2.00000
     33       1.8978      2.00000
     34       1.9992      2.00000
     35       2.0780      2.00000
     36       2.1769      2.00000
     37       2.2420      2.00000
     38       2.3217      2.00000
     39       2.4029      2.00000
     40       2.4755      2.00000
     41       2.5669      2.00000
     42       2.6369      2.00000
     43       2.7247      2.00000
     44       2.7666      2.00000
     45       2.8208      2.00000
     46       2.8521      2.00000
     47       2.9322      2.00000
     48       3.0217      2.00000
     49       3.0764      2.00000
     50       3.1443      2.00000
     51       3.2269      2.00000
     52       3.2591      2.00000
     53       3.5470      2.00000
     54       3.6731      2.00000
     55       3.7469      2.00000
     56       3.8148      2.00000
     57       4.1042      2.00000
     58       4.9340      2.00000
     59       5.0828      2.00000
     60       5.8213      2.05111
     61       6.8106     -0.00000
     62       7.1826     -0.00000
     63       7.7854     -0.00000
     64       8.6912     -0.00000
     65       8.9481     -0.00000
     66       9.1116     -0.00000
     67       9.4611     -0.00000
     68       9.6302     -0.00000
     69       9.7923     -0.00000
     70      10.9409     -0.00000
     71      11.5665      0.00000
     72      12.1374      0.00000
     73      12.3290      0.00000
     74      12.4848      0.00000
     75      13.1642      0.00000
     76      13.2993      0.00000
     77      13.7029      0.00000
     78      14.0869      0.00000
     79      14.3989      0.00000
     80      14.5407      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6530      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0760      2.00000
      9      -0.2683      2.00000
     10      -0.2127      2.00000
     11       0.2607      2.00000
     12       0.4241      2.00000
     13       0.5206      2.00000
     14       0.5581      2.00000
     15       0.6766      2.00000
     16       0.7893      2.00000
     17       0.8348      2.00000
     18       0.9122      2.00000
     19       1.0017      2.00000
     20       1.0919      2.00000
     21       1.1015      2.00000
     22       1.1494      2.00000
     23       1.1992      2.00000
     24       1.2298      2.00000
     25       1.2747      2.00000
     26       1.3583      2.00000
     27       1.4945      2.00000
     28       1.5813      2.00000
     29       1.6375      2.00000
     30       1.6643      2.00000
     31       1.8195      2.00000
     32       1.8415      2.00000
     33       1.9980      2.00000
     34       2.0054      2.00000
     35       2.0687      2.00000
     36       2.1663      2.00000
     37       2.2069      2.00000
     38       2.2467      2.00000
     39       2.2995      2.00000
     40       2.3748      2.00000
     41       2.5098      2.00000
     42       2.6318      2.00000
     43       2.6584      2.00000
     44       2.7226      2.00000
     45       2.7607      2.00000
     46       2.8041      2.00000
     47       2.8367      2.00000
     48       2.9340      2.00000
     49       2.9513      2.00000
     50       3.0958      2.00000
     51       3.1203      2.00000
     52       3.2083      2.00000
     53       3.4146      2.00000
     54       3.4954      2.00000
     55       3.5889      2.00000
     56       3.6883      2.00000
     57       4.4294      2.00000
     58       4.7955      2.00000
     59       5.4373      2.00028
     60       5.9979      1.20327
     61       6.6043     -0.00031
     62       6.9367     -0.00000
     63       7.0350     -0.00000
     64       7.3353     -0.00000
     65       8.2645     -0.00000
     66       8.5047     -0.00000
     67       8.8398     -0.00000
     68       9.3307     -0.00000
     69       9.9704     -0.00000
     70      10.1808     -0.00000
     71      10.3315     -0.00000
     72      11.0815     -0.00000
     73      11.7774      0.00000
     74      12.1355      0.00000
     75      12.3150      0.00000
     76      12.9731      0.00000
     77      13.7642      0.00000
     78      13.8292      0.00000
     79      14.0927      0.00000
     80      14.2193      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3667      2.00000
      9      -0.1433      2.00000
     10       0.0794      2.00000
     11       0.1455      2.00000
     12       0.4564      2.00000
     13       0.5639      2.00000
     14       0.6381      2.00000
     15       0.6847      2.00000
     16       0.7315      2.00000
     17       0.8920      2.00000
     18       0.9467      2.00000
     19       1.0649      2.00000
     20       1.1485      2.00000
     21       1.1788      2.00000
     22       1.2147      2.00000
     23       1.3245      2.00000
     24       1.3780      2.00000
     25       1.4692      2.00000
     26       1.5376      2.00000
     27       1.5667      2.00000
     28       1.6366      2.00000
     29       1.7161      2.00000
     30       1.7805      2.00000
     31       1.8449      2.00000
     32       1.9091      2.00000
     33       1.9432      2.00000
     34       2.0873      2.00000
     35       2.1483      2.00000
     36       2.1550      2.00000
     37       2.2525      2.00000
     38       2.2632      2.00000
     39       2.3346      2.00000
     40       2.3754      2.00000
     41       2.4176      2.00000
     42       2.5099      2.00000
     43       2.5600      2.00000
     44       2.5976      2.00000
     45       2.6177      2.00000
     46       2.6893      2.00000
     47       2.7747      2.00000
     48       2.7942      2.00000
     49       2.8792      2.00000
     50       3.0709      2.00000
     51       3.1319      2.00000
     52       3.1864      2.00000
     53       3.3678      2.00000
     54       3.5354      2.00000
     55       3.6287      2.00000
     56       3.8851      2.00000
     57       4.3702      2.00000
     58       4.7244      2.00000
     59       5.1028      2.00000
     60       5.6391      2.02084
     61       5.6945      2.04262
     62       6.2043     -0.02639
     63       6.6489     -0.00009
     64       7.0099     -0.00000
     65       7.5009     -0.00000
     66       7.8725     -0.00000
     67       8.9900     -0.00000
     68       9.6108     -0.00000
     69       9.8897     -0.00000
     70      10.0901     -0.00000
     71      10.4659     -0.00000
     72      10.7367     -0.00000
     73      11.0923     -0.00000
     74      11.6191      0.00000
     75      12.2464      0.00000
     76      12.9493      0.00000
     77      13.1926      0.00000
     78      13.9006      0.00000
     79      13.9268      0.00000
     80      14.0607      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4511      2.00000
      9      -0.1492      2.00000
     10      -0.0136      2.00000
     11       0.1305      2.00000
     12       0.5356      2.00000
     13       0.5726      2.00000
     14       0.6453      2.00000
     15       0.7568      2.00000
     16       0.8622      2.00000
     17       0.9512      2.00000
     18       0.9956      2.00000
     19       1.0501      2.00000
     20       1.1059      2.00000
     21       1.1674      2.00000
     22       1.2241      2.00000
     23       1.3158      2.00000
     24       1.3926      2.00000
     25       1.4714      2.00000
     26       1.5048      2.00000
     27       1.5492      2.00000
     28       1.5997      2.00000
     29       1.7140      2.00000
     30       1.7547      2.00000
     31       1.7936      2.00000
     32       1.8961      2.00000
     33       1.9600      2.00000
     34       1.9697      2.00000
     35       2.0564      2.00000
     36       2.1822      2.00000
     37       2.1906      2.00000
     38       2.2881      2.00000
     39       2.3330      2.00000
     40       2.3575      2.00000
     41       2.4763      2.00000
     42       2.4966      2.00000
     43       2.5881      2.00000
     44       2.6168      2.00000
     45       2.6785      2.00000
     46       2.7699      2.00000
     47       2.8010      2.00000
     48       2.8135      2.00000
     49       2.9004      2.00000
     50       3.1230      2.00000
     51       3.1777      2.00000
     52       3.2309      2.00000
     53       3.5181      2.00000
     54       3.5731      2.00000
     55       3.6873      2.00000
     56       3.8845      2.00000
     57       4.4479      2.00000
     58       4.5803      2.00000
     59       4.9783      2.00000
     60       5.4298      2.00023
     61       5.7633      2.06956
     62       5.8186      2.05375
     63       6.7167     -0.00001
     64       6.9930     -0.00000
     65       7.2894     -0.00000
     66       7.5136     -0.00000
     67       9.0233     -0.00000
     68       9.4159     -0.00000
     69      10.1138     -0.00000
     70      10.5198     -0.00000
     71      10.8555     -0.00000
     72      11.2199     -0.00000
     73      11.4061     -0.00000
     74      11.6793      0.00000
     75      12.0252      0.00000
     76      12.6580      0.00000
     77      13.4745      0.00000
     78      13.5565      0.00000
     79      14.0989      0.00000
     80      14.1455      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6145      2.00000
      7     -39.6052      2.00000
      8      -1.1388      2.00000
      9      -0.5385      2.00000
     10       0.1027      2.00000
     11       0.1268      2.00000
     12       0.5069      2.00000
     13       0.5827      2.00000
     14       0.6523      2.00000
     15       0.6875      2.00000
     16       0.7987      2.00000
     17       0.8211      2.00000
     18       0.8451      2.00000
     19       0.9355      2.00000
     20       1.0945      2.00000
     21       1.1337      2.00000
     22       1.1768      2.00000
     23       1.2047      2.00000
     24       1.3181      2.00000
     25       1.3611      2.00000
     26       1.4037      2.00000
     27       1.4440      2.00000
     28       1.5077      2.00000
     29       1.5690      2.00000
     30       1.6911      2.00000
     31       1.7401      2.00000
     32       1.8766      2.00000
     33       1.9178      2.00000
     34       1.9740      2.00000
     35       2.1189      2.00000
     36       2.1644      2.00000
     37       2.2451      2.00000
     38       2.2870      2.00000
     39       2.3534      2.00000
     40       2.4292      2.00000
     41       2.5200      2.00000
     42       2.5722      2.00000
     43       2.6625      2.00000
     44       2.6966      2.00000
     45       2.7623      2.00000
     46       2.8080      2.00000
     47       2.8537      2.00000
     48       2.9122      2.00000
     49       2.9638      2.00000
     50       3.0789      2.00000
     51       3.1228      2.00000
     52       3.2039      2.00000
     53       3.3441      2.00000
     54       3.5134      2.00000
     55       3.7043      2.00000
     56       4.1224      2.00000
     57       4.6117      2.00000
     58       4.9837      2.00000
     59       5.3643      2.00003
     60       5.6942      2.04250
     61       6.0304      0.92982
     62       6.2210     -0.04903
     63       6.6998     -0.00002
     64       7.1795     -0.00000
     65       7.6184     -0.00000
     66       8.7333     -0.00000
     67       8.9122     -0.00000
     68       9.3557     -0.00000
     69      10.4137     -0.00000
     70      10.6133     -0.00000
     71      11.0138     -0.00000
     72      11.6322      0.00000
     73      12.2306      0.00000
     74      12.5060      0.00000
     75      12.8286      0.00000
     76      13.3617      0.00000
     77      13.5900      0.00000
     78      14.0731      0.00000
     79      14.2405      0.00000
     80      14.4853      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6606      2.00000
      9      -0.8919      2.00000
     10       0.1388      2.00000
     11       0.2602      2.00000
     12       0.3103      2.00000
     13       0.3208      2.00000
     14       0.3967      2.00000
     15       0.6222      2.00000
     16       0.6419      2.00000
     17       0.6649      2.00000
     18       0.7491      2.00000
     19       0.8530      2.00000
     20       0.9332      2.00000
     21       1.0553      2.00000
     22       1.1249      2.00000
     23       1.1792      2.00000
     24       1.2181      2.00000
     25       1.2759      2.00000
     26       1.3784      2.00000
     27       1.3882      2.00000
     28       1.4690      2.00000
     29       1.5917      2.00000
     30       1.6914      2.00000
     31       1.7409      2.00000
     32       1.8462      2.00000
     33       1.8539      2.00000
     34       2.0312      2.00000
     35       2.1560      2.00000
     36       2.1931      2.00000
     37       2.2383      2.00000
     38       2.2657      2.00000
     39       2.3700      2.00000
     40       2.4491      2.00000
     41       2.5183      2.00000
     42       2.6257      2.00000
     43       2.6594      2.00000
     44       2.7776      2.00000
     45       2.8293      2.00000
     46       2.8797      2.00000
     47       2.9537      2.00000
     48       2.9855      2.00000
     49       3.1140      2.00000
     50       3.1873      2.00000
     51       3.2074      2.00000
     52       3.2941      2.00000
     53       3.4769      2.00000
     54       3.7196      2.00000
     55       3.9434      2.00000
     56       3.9675      2.00000
     57       4.1981      2.00000
     58       4.6025      2.00000
     59       5.0570      2.00000
     60       5.6532      2.02556
     61       6.7339     -0.00001
     62       7.3427     -0.00000
     63       7.6616     -0.00000
     64       8.2621     -0.00000
     65       8.4732     -0.00000
     66       8.5777     -0.00000
     67       9.0174     -0.00000
     68       9.2343     -0.00000
     69      11.3345     -0.00000
     70      12.1202      0.00000
     71      12.4220      0.00000
     72      12.6640      0.00000
     73      12.8461      0.00000
     74      13.1020      0.00000
     75      13.2942      0.00000
     76      13.5473      0.00000
     77      13.7110      0.00000
     78      13.7827      0.00000
     79      13.8878      0.00000
     80      14.0666      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6617      2.00000
      9      -0.7774      2.00000
     10      -0.6076      2.00000
     11       0.0752      2.00000
     12       0.2604      2.00000
     13       0.3762      2.00000
     14       0.3902      2.00000
     15       0.5483      2.00000
     16       0.6290      2.00000
     17       0.7365      2.00000
     18       0.7390      2.00000
     19       0.8344      2.00000
     20       0.8893      2.00000
     21       0.9210      2.00000
     22       1.0474      2.00000
     23       1.0979      2.00000
     24       1.1329      2.00000
     25       1.2351      2.00000
     26       1.3261      2.00000
     27       1.3529      2.00000
     28       1.4889      2.00000
     29       1.6096      2.00000
     30       1.6178      2.00000
     31       1.7820      2.00000
     32       1.8998      2.00000
     33       1.9086      2.00000
     34       2.0937      2.00000
     35       2.1484      2.00000
     36       2.2302      2.00000
     37       2.3515      2.00000
     38       2.4425      2.00000
     39       2.4639      2.00000
     40       2.4709      2.00000
     41       2.5386      2.00000
     42       2.6178      2.00000
     43       2.6821      2.00000
     44       2.6839      2.00000
     45       2.8161      2.00000
     46       2.8709      2.00000
     47       2.9589      2.00000
     48       2.9804      2.00000
     49       3.1503      2.00000
     50       3.2339      2.00000
     51       3.3187      2.00000
     52       3.3376      2.00000
     53       3.4417      2.00000
     54       3.5346      2.00000
     55       3.7208      2.00000
     56       3.7570      2.00000
     57       3.9937      2.00000
     58       4.2028      2.00000
     59       5.8139      2.05778
     60       7.2665     -0.00000
     61       7.4264     -0.00000
     62       7.4661     -0.00000
     63       7.7526     -0.00000
     64       8.2268     -0.00000
     65       8.7234     -0.00000
     66       9.2640     -0.00000
     67       9.8767     -0.00000
     68      10.4892     -0.00000
     69      10.6588     -0.00000
     70      11.2314     -0.00000
     71      11.2699     -0.00000
     72      11.4361     -0.00000
     73      12.3998      0.00000
     74      12.9911      0.00000
     75      13.1410      0.00000
     76      13.1953      0.00000
     77      13.4195      0.00000
     78      13.8953      0.00000
     79      13.9178      0.00000
     80      14.5957      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9101      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3938      2.00000
      9      -0.7706      2.00000
     10      -0.4146      2.00000
     11       0.1142      2.00000
     12       0.1905      2.00000
     13       0.4704      2.00000
     14       0.5370      2.00000
     15       0.6239      2.00000
     16       0.6417      2.00000
     17       0.7441      2.00000
     18       0.7584      2.00000
     19       0.9166      2.00000
     20       0.9566      2.00000
     21       0.9900      2.00000
     22       0.9937      2.00000
     23       1.1014      2.00000
     24       1.1671      2.00000
     25       1.1907      2.00000
     26       1.3345      2.00000
     27       1.3548      2.00000
     28       1.5599      2.00000
     29       1.6149      2.00000
     30       1.7310      2.00000
     31       1.7720      2.00000
     32       1.8249      2.00000
     33       1.9624      2.00000
     34       2.0208      2.00000
     35       2.0521      2.00000
     36       2.1537      2.00000
     37       2.2774      2.00000
     38       2.2814      2.00000
     39       2.3652      2.00000
     40       2.5164      2.00000
     41       2.5550      2.00000
     42       2.6435      2.00000
     43       2.7095      2.00000
     44       2.7416      2.00000
     45       2.8020      2.00000
     46       2.8956      2.00000
     47       2.9232      2.00000
     48       3.0134      2.00000
     49       3.1081      2.00000
     50       3.1603      2.00000
     51       3.2209      2.00000
     52       3.3485      2.00000
     53       3.3722      2.00000
     54       3.5656      2.00000
     55       3.7868      2.00000
     56       3.8435      2.00000
     57       3.9910      2.00000
     58       4.2361      2.00000
     59       6.2156     -0.04281
     60       6.5046     -0.00339
     61       7.3896     -0.00000
     62       7.7798     -0.00000
     63       7.8946     -0.00000
     64       8.3563     -0.00000
     65       8.5506     -0.00000
     66       8.8092     -0.00000
     67       8.8315     -0.00000
     68       9.6376     -0.00000
     69      10.2155     -0.00000
     70      10.6326     -0.00000
     71      10.7738     -0.00000
     72      11.1212     -0.00000
     73      11.9641      0.00000
     74      12.2991      0.00000
     75      12.6537      0.00000
     76      13.1704      0.00000
     77      13.6194      0.00000
     78      13.9348      0.00000
     79      14.2820      0.00000
     80      14.6721      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6532      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.9064      2.00000
      9      -0.3834      2.00000
     10      -0.0424      2.00000
     11       0.0602      2.00000
     12       0.4420      2.00000
     13       0.4964      2.00000
     14       0.5965      2.00000
     15       0.6953      2.00000
     16       0.7527      2.00000
     17       0.7582      2.00000
     18       0.8275      2.00000
     19       0.8862      2.00000
     20       1.0037      2.00000
     21       1.0379      2.00000
     22       1.1589      2.00000
     23       1.2353      2.00000
     24       1.2895      2.00000
     25       1.3755      2.00000
     26       1.4178      2.00000
     27       1.4932      2.00000
     28       1.6118      2.00000
     29       1.6551      2.00000
     30       1.7151      2.00000
     31       1.7905      2.00000
     32       1.8411      2.00000
     33       1.9289      2.00000
     34       1.9799      2.00000
     35       2.0302      2.00000
     36       2.0777      2.00000
     37       2.2211      2.00000
     38       2.2555      2.00000
     39       2.2900      2.00000
     40       2.4072      2.00000
     41       2.5561      2.00000
     42       2.6266      2.00000
     43       2.6380      2.00000
     44       2.7093      2.00000
     45       2.7409      2.00000
     46       2.8338      2.00000
     47       2.8652      2.00000
     48       2.9070      2.00000
     49       2.9351      2.00000
     50       3.0354      2.00000
     51       3.1354      2.00000
     52       3.3069      2.00000
     53       3.3403      2.00000
     54       3.4904      2.00000
     55       3.5737      2.00000
     56       3.7511      2.00000
     57       4.4217      2.00000
     58       5.2193      2.00000
     59       5.2915      2.00000
     60       5.9572      1.51890
     61       7.0514     -0.00000
     62       7.1839     -0.00000
     63       7.3426     -0.00000
     64       7.4481     -0.00000
     65       8.1700     -0.00000
     66       8.4094     -0.00000
     67       8.6177     -0.00000
     68       9.0638     -0.00000
     69       9.3373     -0.00000
     70       9.8342     -0.00000
     71      10.7603     -0.00000
     72      10.9648     -0.00000
     73      11.2772     -0.00000
     74      11.5932      0.00000
     75      12.5278      0.00000
     76      13.0840      0.00000
     77      13.4241      0.00000
     78      13.6702      0.00000
     79      13.9152      0.00000
     80      14.1191      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3900      2.00000
      9      -0.0765      2.00000
     10       0.1009      2.00000
     11       0.1589      2.00000
     12       0.4565      2.00000
     13       0.4928      2.00000
     14       0.5510      2.00000
     15       0.6707      2.00000
     16       0.7829      2.00000
     17       0.9108      2.00000
     18       0.9409      2.00000
     19       1.1136      2.00000
     20       1.1679      2.00000
     21       1.2149      2.00000
     22       1.2395      2.00000
     23       1.3305      2.00000
     24       1.4109      2.00000
     25       1.4415      2.00000
     26       1.4855      2.00000
     27       1.5622      2.00000
     28       1.6209      2.00000
     29       1.6609      2.00000
     30       1.7160      2.00000
     31       1.8320      2.00000
     32       1.9145      2.00000
     33       1.9615      2.00000
     34       2.0353      2.00000
     35       2.1075      2.00000
     36       2.1221      2.00000
     37       2.2048      2.00000
     38       2.2988      2.00000
     39       2.3129      2.00000
     40       2.3590      2.00000
     41       2.4696      2.00000
     42       2.5334      2.00000
     43       2.5565      2.00000
     44       2.6267      2.00000
     45       2.6958      2.00000
     46       2.7388      2.00000
     47       2.8173      2.00000
     48       2.8364      2.00000
     49       2.9525      2.00000
     50       3.0720      2.00000
     51       3.1823      2.00000
     52       3.2852      2.00000
     53       3.3395      2.00000
     54       3.4693      2.00000
     55       3.5899      2.00000
     56       3.7921      2.00000
     57       4.0918      2.00000
     58       4.3014      2.00000
     59       5.4710      2.00068
     60       5.8626      1.97903
     61       6.0255      0.97199
     62       6.3416     -0.04639
     63       6.7291     -0.00001
     64       7.1188     -0.00000
     65       7.6023     -0.00000
     66       8.0693     -0.00000
     67       8.3387     -0.00000
     68       8.9323     -0.00000
     69       9.4480     -0.00000
     70      10.2309     -0.00000
     71      10.4146     -0.00000
     72      10.5711     -0.00000
     73      11.3181     -0.00000
     74      11.8259      0.00000
     75      12.1577      0.00000
     76      12.9324      0.00000
     77      13.0192      0.00000
     78      13.6890      0.00000
     79      14.0096      0.00000
     80      14.6495      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4463      2.00000
      9      -0.1496      2.00000
     10       0.0477      2.00000
     11       0.1330      2.00000
     12       0.4971      2.00000
     13       0.5315      2.00000
     14       0.6308      2.00000
     15       0.7158      2.00000
     16       0.8970      2.00000
     17       0.9213      2.00000
     18       1.0354      2.00000
     19       1.0743      2.00000
     20       1.1374      2.00000
     21       1.1800      2.00000
     22       1.2531      2.00000
     23       1.2960      2.00000
     24       1.3923      2.00000
     25       1.4114      2.00000
     26       1.4596      2.00000
     27       1.5090      2.00000
     28       1.6602      2.00000
     29       1.6961      2.00000
     30       1.7405      2.00000
     31       1.7947      2.00000
     32       1.8736      2.00000
     33       1.9155      2.00000
     34       2.0102      2.00000
     35       2.0809      2.00000
     36       2.1871      2.00000
     37       2.2122      2.00000
     38       2.2875      2.00000
     39       2.3512      2.00000
     40       2.3725      2.00000
     41       2.4541      2.00000
     42       2.5052      2.00000
     43       2.5527      2.00000
     44       2.6544      2.00000
     45       2.6906      2.00000
     46       2.7414      2.00000
     47       2.8157      2.00000
     48       2.8842      2.00000
     49       2.9049      2.00000
     50       3.1106      2.00000
     51       3.1652      2.00000
     52       3.2513      2.00000
     53       3.4763      2.00000
     54       3.5659      2.00000
     55       3.6044      2.00000
     56       3.9000      2.00000
     57       4.3461      2.00000
     58       4.8601      2.00000
     59       5.0060      2.00000
     60       5.2098      2.00000
     61       5.6165      2.01459
     62       5.8159      2.05614
     63       6.7194     -0.00001
     64       7.1873     -0.00000
     65       7.6947     -0.00000
     66       7.8729     -0.00000
     67       8.7039     -0.00000
     68       9.5017     -0.00000
     69       9.9545     -0.00000
     70      10.1358     -0.00000
     71      10.4732     -0.00000
     72      10.5912     -0.00000
     73      11.1524     -0.00000
     74      11.8230      0.00000
     75      12.2320      0.00000
     76      12.7474      0.00000
     77      13.5947      0.00000
     78      14.0658      0.00000
     79      14.3292      0.00000
     80      14.4569      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0797      2.00000
      9      -0.3710      2.00000
     10      -0.1172      2.00000
     11       0.2722      2.00000
     12       0.4368      2.00000
     13       0.5099      2.00000
     14       0.5428      2.00000
     15       0.6799      2.00000
     16       0.7857      2.00000
     17       0.8410      2.00000
     18       0.9190      2.00000
     19       0.9482      2.00000
     20       1.0544      2.00000
     21       1.0826      2.00000
     22       1.1698      2.00000
     23       1.2193      2.00000
     24       1.2665      2.00000
     25       1.3219      2.00000
     26       1.4136      2.00000
     27       1.4544      2.00000
     28       1.5516      2.00000
     29       1.6102      2.00000
     30       1.7731      2.00000
     31       1.8212      2.00000
     32       1.8445      2.00000
     33       1.9665      2.00000
     34       1.9964      2.00000
     35       2.0576      2.00000
     36       2.1059      2.00000
     37       2.1336      2.00000
     38       2.2077      2.00000
     39       2.3319      2.00000
     40       2.4312      2.00000
     41       2.4741      2.00000
     42       2.6080      2.00000
     43       2.6530      2.00000
     44       2.6858      2.00000
     45       2.7889      2.00000
     46       2.8182      2.00000
     47       2.8733      2.00000
     48       2.9231      2.00000
     49       2.9769      2.00000
     50       3.0840      2.00000
     51       3.1310      2.00000
     52       3.2374      2.00000
     53       3.3228      2.00000
     54       3.4500      2.00000
     55       3.6272      2.00000
     56       4.0790      2.00000
     57       4.2835      2.00000
     58       5.1825      2.00000
     59       5.7486      2.06576
     60       5.9304      1.69342
     61       6.1192      0.27603
     62       6.5364     -0.00167
     63       6.7807     -0.00000
     64       7.2724     -0.00000
     65       7.6570     -0.00000
     66       8.3401     -0.00000
     67       9.3953     -0.00000
     68       9.5412     -0.00000
     69       9.9831     -0.00000
     70      10.1690     -0.00000
     71      11.3525     -0.00000
     72      11.5030      0.00000
     73      11.7690      0.00000
     74      11.9600      0.00000
     75      12.2793      0.00000
     76      12.7742      0.00000
     77      13.3516      0.00000
     78      13.6914      0.00000
     79      13.8298      0.00000
     80      14.2011      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.5563      2.00000
      9      -0.5572      2.00000
     10      -0.4667      2.00000
     11       0.2089      2.00000
     12       0.2335      2.00000
     13       0.4707      2.00000
     14       0.5244      2.00000
     15       0.5936      2.00000
     16       0.6302      2.00000
     17       0.6710      2.00000
     18       0.7944      2.00000
     19       0.9015      2.00000
     20       0.9461      2.00000
     21       0.9891      2.00000
     22       1.0109      2.00000
     23       1.1194      2.00000
     24       1.1627      2.00000
     25       1.2185      2.00000
     26       1.3859      2.00000
     27       1.4343      2.00000
     28       1.4882      2.00000
     29       1.5979      2.00000
     30       1.6415      2.00000
     31       1.7266      2.00000
     32       1.8713      2.00000
     33       1.8909      2.00000
     34       2.0163      2.00000
     35       2.1065      2.00000
     36       2.2071      2.00000
     37       2.2721      2.00000
     38       2.3451      2.00000
     39       2.3709      2.00000
     40       2.4405      2.00000
     41       2.5891      2.00000
     42       2.6772      2.00000
     43       2.7076      2.00000
     44       2.7381      2.00000
     45       2.8408      2.00000
     46       2.8660      2.00000
     47       2.8942      2.00000
     48       3.0573      2.00000
     49       3.0918      2.00000
     50       3.1697      2.00000
     51       3.2291      2.00000
     52       3.2346      2.00000
     53       3.5315      2.00000
     54       3.6198      2.00000
     55       3.6558      2.00000
     56       3.8545      2.00000
     57       3.9793      2.00000
     58       4.4818      2.00000
     59       5.6790      2.03574
     60       6.3661     -0.03537
     61       6.7049     -0.00002
     62       7.5014     -0.00000
     63       7.9844     -0.00000
     64       8.6896     -0.00000
     65       8.8835     -0.00000
     66       9.2101     -0.00000
     67       9.3685     -0.00000
     68       9.4733     -0.00000
     69       9.7952     -0.00000
     70      10.5181     -0.00000
     71      11.1867     -0.00000
     72      11.5461      0.00000
     73      12.0697      0.00000
     74      12.2528      0.00000
     75      13.0253      0.00000
     76      13.2530      0.00000
     77      13.2975      0.00000
     78      13.8573      0.00000
     79      14.5985      0.00000
     80      14.6730      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6132      2.00000
      9      -0.8273      2.00000
     10      -0.5754      2.00000
     11       0.0732      2.00000
     12       0.1495      2.00000
     13       0.3602      2.00000
     14       0.3915      2.00000
     15       0.5466      2.00000
     16       0.6407      2.00000
     17       0.7609      2.00000
     18       0.7867      2.00000
     19       0.8698      2.00000
     20       0.8752      2.00000
     21       0.9195      2.00000
     22       1.0172      2.00000
     23       1.0269      2.00000
     24       1.0755      2.00000
     25       1.2544      2.00000
     26       1.3108      2.00000
     27       1.3785      2.00000
     28       1.4804      2.00000
     29       1.6270      2.00000
     30       1.6722      2.00000
     31       1.7620      2.00000
     32       1.8385      2.00000
     33       1.9566      2.00000
     34       2.0134      2.00000
     35       2.1711      2.00000
     36       2.2049      2.00000
     37       2.3336      2.00000
     38       2.4323      2.00000
     39       2.4641      2.00000
     40       2.4734      2.00000
     41       2.5134      2.00000
     42       2.6289      2.00000
     43       2.6396      2.00000
     44       2.6612      2.00000
     45       2.8299      2.00000
     46       2.8394      2.00000
     47       2.9511      2.00000
     48       2.9533      2.00000
     49       2.9822      2.00000
     50       3.1959      2.00000
     51       3.2588      2.00000
     52       3.4591      2.00000
     53       3.5520      2.00000
     54       3.6594      2.00000
     55       3.9715      2.00000
     56       4.0604      2.00000
     57       4.2152      2.00000
     58       4.6009      2.00000
     59       5.8702      1.95804
     60       6.1140      0.30639
     61       6.6585     -0.00007
     62       7.3679     -0.00000
     63       8.0075     -0.00000
     64       8.2586     -0.00000
     65       8.6437     -0.00000
     66       9.1058     -0.00000
     67       9.1698     -0.00000
     68      10.9013     -0.00000
     69      11.4458     -0.00000
     70      11.6392      0.00000
     71      11.9580      0.00000
     72      12.3533      0.00000
     73      12.6299      0.00000
     74      13.1780      0.00000
     75      13.2107      0.00000
     76      13.3703      0.00000
     77      13.4068      0.00000
     78      13.8342      0.00000
     79      13.8522      0.00000
     80      14.0970      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6535      2.00000
      5     -39.6528      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3570      2.00000
      9      -0.6670      2.00000
     10      -0.5428      2.00000
     11       0.0536      2.00000
     12       0.1869      2.00000
     13       0.4665      2.00000
     14       0.5565      2.00000
     15       0.6218      2.00000
     16       0.6344      2.00000
     17       0.7475      2.00000
     18       0.7907      2.00000
     19       0.9128      2.00000
     20       0.9235      2.00000
     21       0.9493      2.00000
     22       0.9821      2.00000
     23       1.0977      2.00000
     24       1.1235      2.00000
     25       1.1808      2.00000
     26       1.3702      2.00000
     27       1.4334      2.00000
     28       1.5992      2.00000
     29       1.6157      2.00000
     30       1.6805      2.00000
     31       1.7214      2.00000
     32       1.7717      2.00000
     33       1.9390      2.00000
     34       2.0205      2.00000
     35       2.0809      2.00000
     36       2.1908      2.00000
     37       2.2133      2.00000
     38       2.2857      2.00000
     39       2.4590      2.00000
     40       2.4821      2.00000
     41       2.5425      2.00000
     42       2.6440      2.00000
     43       2.6860      2.00000
     44       2.7299      2.00000
     45       2.7514      2.00000
     46       2.8468      2.00000
     47       2.8856      2.00000
     48       2.9872      2.00000
     49       3.0671      2.00000
     50       3.1446      2.00000
     51       3.1686      2.00000
     52       3.3184      2.00000
     53       3.4411      2.00000
     54       3.5229      2.00000
     55       3.7687      2.00000
     56       3.8990      2.00000
     57       5.0212      2.00000
     58       5.1263      2.00000
     59       5.6065      2.01232
     60       6.0461      0.79852
     61       6.8613     -0.00000
     62       7.3594     -0.00000
     63       7.5115     -0.00000
     64       7.7050     -0.00000
     65       8.1194     -0.00000
     66       8.2701     -0.00000
     67       9.9365     -0.00000
     68      10.3828     -0.00000
     69      10.5521     -0.00000
     70      10.9937     -0.00000
     71      11.1630     -0.00000
     72      11.6667      0.00000
     73      12.3349      0.00000
     74      12.4679      0.00000
     75      12.9985      0.00000
     76      13.1751      0.00000
     77      13.6557      0.00000
     78      13.7951      0.00000
     79      14.0960      0.00000
     80      14.3634      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6532      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.8985      2.00000
      9      -0.3668      2.00000
     10      -0.0514      2.00000
     11       0.0274      2.00000
     12       0.4692      2.00000
     13       0.4968      2.00000
     14       0.5800      2.00000
     15       0.6990      2.00000
     16       0.7346      2.00000
     17       0.7725      2.00000
     18       0.8299      2.00000
     19       0.8791      2.00000
     20       1.0001      2.00000
     21       1.0268      2.00000
     22       1.1376      2.00000
     23       1.2399      2.00000
     24       1.3382      2.00000
     25       1.3868      2.00000
     26       1.4588      2.00000
     27       1.5155      2.00000
     28       1.5560      2.00000
     29       1.5923      2.00000
     30       1.7516      2.00000
     31       1.8036      2.00000
     32       1.8733      2.00000
     33       1.9147      2.00000
     34       1.9684      2.00000
     35       2.0193      2.00000
     36       2.1347      2.00000
     37       2.1917      2.00000
     38       2.2310      2.00000
     39       2.2587      2.00000
     40       2.3303      2.00000
     41       2.5605      2.00000
     42       2.6136      2.00000
     43       2.6588      2.00000
     44       2.7252      2.00000
     45       2.7355      2.00000
     46       2.8491      2.00000
     47       2.8726      2.00000
     48       2.9140      2.00000
     49       2.9663      2.00000
     50       3.0491      2.00000
     51       3.1382      2.00000
     52       3.2774      2.00000
     53       3.3502      2.00000
     54       3.4181      2.00000
     55       3.5051      2.00000
     56       3.7156      2.00000
     57       4.7036      2.00000
     58       5.3880      2.00007
     59       5.6353      2.01966
     60       5.8420      2.02307
     61       6.6921     -0.00002
     62       6.9428     -0.00000
     63       7.1052     -0.00000
     64       7.2439     -0.00000
     65       8.5073     -0.00000
     66       8.5846     -0.00000
     67       8.7056     -0.00000
     68       8.9099     -0.00000
     69       9.2540     -0.00000
     70       9.6791     -0.00000
     71      10.8899     -0.00000
     72      11.0829     -0.00000
     73      11.2594     -0.00000
     74      11.7839      0.00000
     75      12.7539      0.00000
     76      13.0106      0.00000
     77      13.5350      0.00000
     78      13.7571      0.00000
     79      14.0102      0.00000
     80      14.4017      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3670      2.00000
      9      -0.1220      2.00000
     10       0.0992      2.00000
     11       0.1736      2.00000
     12       0.4639      2.00000
     13       0.5305      2.00000
     14       0.5907      2.00000
     15       0.6355      2.00000
     16       0.7438      2.00000
     17       0.9029      2.00000
     18       0.9498      2.00000
     19       1.0651      2.00000
     20       1.1540      2.00000
     21       1.1935      2.00000
     22       1.2415      2.00000
     23       1.3178      2.00000
     24       1.3945      2.00000
     25       1.4830      2.00000
     26       1.5160      2.00000
     27       1.5414      2.00000
     28       1.6240      2.00000
     29       1.7183      2.00000
     30       1.7391      2.00000
     31       1.8386      2.00000
     32       1.9093      2.00000
     33       1.9736      2.00000
     34       2.0437      2.00000
     35       2.1102      2.00000
     36       2.1764      2.00000
     37       2.2589      2.00000
     38       2.3072      2.00000
     39       2.3213      2.00000
     40       2.3839      2.00000
     41       2.4304      2.00000
     42       2.5171      2.00000
     43       2.5643      2.00000
     44       2.5859      2.00000
     45       2.6383      2.00000
     46       2.7037      2.00000
     47       2.7589      2.00000
     48       2.8093      2.00000
     49       2.9587      2.00000
     50       3.0470      2.00000
     51       3.1416      2.00000
     52       3.1837      2.00000
     53       3.3345      2.00000
     54       3.5368      2.00000
     55       3.6011      2.00000
     56       3.9580      2.00000
     57       4.1955      2.00000
     58       4.4161      2.00000
     59       5.2816      2.00000
     60       5.8360      2.03277
     61       5.9584      1.51052
     62       6.2652     -0.07089
     63       6.4685     -0.00705
     64       7.0017     -0.00000
     65       7.8656     -0.00000
     66       8.0269     -0.00000
     67       8.8299     -0.00000
     68       9.1443     -0.00000
     69       9.7284     -0.00000
     70       9.8693     -0.00000
     71      10.3744     -0.00000
     72      10.5786     -0.00000
     73      10.9595     -0.00000
     74      11.8556      0.00000
     75      12.4459      0.00000
     76      12.6151      0.00000
     77      13.3429      0.00000
     78      13.7201      0.00000
     79      14.3674      0.00000
     80      14.4573      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4387      2.00000
      9      -0.1387      2.00000
     10      -0.0179      2.00000
     11       0.1316      2.00000
     12       0.5467      2.00000
     13       0.5910      2.00000
     14       0.6439      2.00000
     15       0.7795      2.00000
     16       0.8045      2.00000
     17       0.9238      2.00000
     18       0.9656      2.00000
     19       1.0477      2.00000
     20       1.1099      2.00000
     21       1.1521      2.00000
     22       1.2414      2.00000
     23       1.3392      2.00000
     24       1.3879      2.00000
     25       1.4101      2.00000
     26       1.4903      2.00000
     27       1.5934      2.00000
     28       1.6692      2.00000
     29       1.7236      2.00000
     30       1.7676      2.00000
     31       1.8213      2.00000
     32       1.8865      2.00000
     33       1.8999      2.00000
     34       2.0051      2.00000
     35       2.1256      2.00000
     36       2.1821      2.00000
     37       2.2218      2.00000
     38       2.2445      2.00000
     39       2.3073      2.00000
     40       2.3997      2.00000
     41       2.4561      2.00000
     42       2.4907      2.00000
     43       2.5570      2.00000
     44       2.6212      2.00000
     45       2.6453      2.00000
     46       2.7306      2.00000
     47       2.7739      2.00000
     48       2.8236      2.00000
     49       2.8785      2.00000
     50       3.1363      2.00000
     51       3.1449      2.00000
     52       3.3449      2.00000
     53       3.4740      2.00000
     54       3.5781      2.00000
     55       3.6110      2.00000
     56       3.7817      2.00000
     57       4.3654      2.00000
     58       4.5640      2.00000
     59       5.1245      2.00000
     60       5.6249      2.01672
     61       5.7659      2.07001
     62       6.4005     -0.02234
     63       6.4992     -0.00381
     64       6.8355     -0.00000
     65       7.0041     -0.00000
     66       7.3805     -0.00000
     67       9.1056     -0.00000
     68       9.3584     -0.00000
     69      10.2488     -0.00000
     70      10.5557     -0.00000
     71      10.9211     -0.00000
     72      11.4054     -0.00000
     73      11.5663      0.00000
     74      11.8346      0.00000
     75      12.1760      0.00000
     76      12.6650      0.00000
     77      12.9310      0.00000
     78      13.1080      0.00000
     79      13.9089      0.00000
     80      14.2254      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.1079      2.00000
      9      -0.3086      2.00000
     10      -0.1721      2.00000
     11       0.2354      2.00000
     12       0.4807      2.00000
     13       0.5447      2.00000
     14       0.5759      2.00000
     15       0.6539      2.00000
     16       0.7722      2.00000
     17       0.8579      2.00000
     18       0.9298      2.00000
     19       1.0179      2.00000
     20       1.0921      2.00000
     21       1.1206      2.00000
     22       1.1689      2.00000
     23       1.1920      2.00000
     24       1.2246      2.00000
     25       1.2526      2.00000
     26       1.3565      2.00000
     27       1.4838      2.00000
     28       1.5521      2.00000
     29       1.6397      2.00000
     30       1.6872      2.00000
     31       1.7942      2.00000
     32       1.8410      2.00000
     33       1.9696      2.00000
     34       2.0399      2.00000
     35       2.1023      2.00000
     36       2.1644      2.00000
     37       2.2197      2.00000
     38       2.2469      2.00000
     39       2.3030      2.00000
     40       2.3397      2.00000
     41       2.5280      2.00000
     42       2.6228      2.00000
     43       2.6466      2.00000
     44       2.7234      2.00000
     45       2.7369      2.00000
     46       2.7812      2.00000
     47       2.8185      2.00000
     48       2.9406      2.00000
     49       2.9988      2.00000
     50       3.0652      2.00000
     51       3.1404      2.00000
     52       3.2045      2.00000
     53       3.4278      2.00000
     54       3.4669      2.00000
     55       3.5709      2.00000
     56       3.7210      2.00000
     57       4.5338      2.00000
     58       4.7915      2.00000
     59       5.4140      2.00015
     60       5.9634      1.47387
     61       6.4795     -0.00569
     62       6.8151     -0.00000
     63       7.0858     -0.00000
     64       7.3934     -0.00000
     65       8.0628     -0.00000
     66       8.6722     -0.00000
     67       8.7640     -0.00000
     68       9.3229     -0.00000
     69       9.8352     -0.00000
     70       9.9214     -0.00000
     71      10.6701     -0.00000
     72      11.1756     -0.00000
     73      11.8791      0.00000
     74      12.1887      0.00000
     75      12.6684      0.00000
     76      13.2288      0.00000
     77      13.9618      0.00000
     78      14.0376      0.00000
     79      14.3619      0.00000
     80      14.4141      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6030      2.00000
      8      -1.5488      2.00000
      9      -0.6248      2.00000
     10      -0.3865      2.00000
     11       0.1890      2.00000
     12       0.2317      2.00000
     13       0.4352      2.00000
     14       0.5242      2.00000
     15       0.5837      2.00000
     16       0.6309      2.00000
     17       0.6913      2.00000
     18       0.8060      2.00000
     19       0.9143      2.00000
     20       0.9436      2.00000
     21       0.9831      2.00000
     22       1.0462      2.00000
     23       1.1314      2.00000
     24       1.1604      2.00000
     25       1.2510      2.00000
     26       1.2717      2.00000
     27       1.3845      2.00000
     28       1.5923      2.00000
     29       1.6438      2.00000
     30       1.7064      2.00000
     31       1.7593      2.00000
     32       1.8205      2.00000
     33       1.8717      2.00000
     34       1.9925      2.00000
     35       2.0365      2.00000
     36       2.1249      2.00000
     37       2.3103      2.00000
     38       2.3452      2.00000
     39       2.4454      2.00000
     40       2.5165      2.00000
     41       2.5302      2.00000
     42       2.6106      2.00000
     43       2.6753      2.00000
     44       2.7007      2.00000
     45       2.7944      2.00000
     46       2.8465      2.00000
     47       2.9049      2.00000
     48       3.0512      2.00000
     49       3.0939      2.00000
     50       3.2119      2.00000
     51       3.2305      2.00000
     52       3.2982      2.00000
     53       3.4038      2.00000
     54       3.5906      2.00000
     55       3.8008      2.00000
     56       3.8180      2.00000
     57       3.9774      2.00000
     58       4.7579      2.00000
     59       5.6607      2.02831
     60       6.5630     -0.00089
     61       6.8578     -0.00000
     62       7.4473     -0.00000
     63       7.8250     -0.00000
     64       7.8752     -0.00000
     65       8.4223     -0.00000
     66       9.0520     -0.00000
     67       9.2271     -0.00000
     68       9.9847     -0.00000
     69      10.4703     -0.00000
     70      10.7305     -0.00000
     71      11.1430     -0.00000
     72      11.4822      0.00000
     73      12.1468      0.00000
     74      12.6662      0.00000
     75      12.9968      0.00000
     76      13.3613      0.00000
     77      13.5065      0.00000
     78      13.9022      0.00000
     79      14.3272      0.00000
     80      14.5502      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6069      2.00000
      9      -0.7833      2.00000
     10      -0.6602      2.00000
     11       0.0671      2.00000
     12       0.1913      2.00000
     13       0.3562      2.00000
     14       0.3895      2.00000
     15       0.5647      2.00000
     16       0.6133      2.00000
     17       0.7240      2.00000
     18       0.7841      2.00000
     19       0.8469      2.00000
     20       0.9074      2.00000
     21       0.9251      2.00000
     22       1.0666      2.00000
     23       1.1106      2.00000
     24       1.1507      2.00000
     25       1.2475      2.00000
     26       1.2620      2.00000
     27       1.2726      2.00000
     28       1.4694      2.00000
     29       1.6076      2.00000
     30       1.6222      2.00000
     31       1.7524      2.00000
     32       1.7878      2.00000
     33       1.9134      2.00000
     34       2.1295      2.00000
     35       2.1566      2.00000
     36       2.3492      2.00000
     37       2.3561      2.00000
     38       2.3944      2.00000
     39       2.4438      2.00000
     40       2.4699      2.00000
     41       2.5391      2.00000
     42       2.6340      2.00000
     43       2.6711      2.00000
     44       2.7315      2.00000
     45       2.8021      2.00000
     46       2.8466      2.00000
     47       2.9008      2.00000
     48       2.9381      2.00000
     49       3.0419      2.00000
     50       3.1825      2.00000
     51       3.2326      2.00000
     52       3.3970      2.00000
     53       3.5921      2.00000
     54       3.6472      2.00000
     55       3.9637      2.00000
     56       4.0601      2.00000
     57       4.2343      2.00000
     58       4.4525      2.00000
     59       5.6753      2.03418
     60       6.2407     -0.06454
     61       6.6949     -0.00002
     62       7.5179     -0.00000
     63       7.8893     -0.00000
     64       8.1525     -0.00000
     65       8.8094     -0.00000
     66       9.3827     -0.00000
     67       9.5726     -0.00000
     68      10.7308     -0.00000
     69      10.9061     -0.00000
     70      11.4843      0.00000
     71      11.9850      0.00000
     72      12.0804      0.00000
     73      12.5146      0.00000
     74      12.8989      0.00000
     75      13.0116      0.00000
     76      13.2906      0.00000
     77      13.4460      0.00000
     78      13.9062      0.00000
     79      14.0654      0.00000
     80      14.3456      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9101      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3888      2.00000
      9      -0.7304      2.00000
     10      -0.4753      2.00000
     11       0.1182      2.00000
     12       0.1868      2.00000
     13       0.4787      2.00000
     14       0.5483      2.00000
     15       0.6293      2.00000
     16       0.6352      2.00000
     17       0.7480      2.00000
     18       0.7690      2.00000
     19       0.9298      2.00000
     20       0.9334      2.00000
     21       0.9518      2.00000
     22       0.9807      2.00000
     23       1.1194      2.00000
     24       1.1621      2.00000
     25       1.1853      2.00000
     26       1.3697      2.00000
     27       1.3838      2.00000
     28       1.5185      2.00000
     29       1.6175      2.00000
     30       1.6338      2.00000
     31       1.7929      2.00000
     32       1.8454      2.00000
     33       1.9641      2.00000
     34       1.9916      2.00000
     35       2.1683      2.00000
     36       2.2019      2.00000
     37       2.2236      2.00000
     38       2.2600      2.00000
     39       2.3124      2.00000
     40       2.5368      2.00000
     41       2.5790      2.00000
     42       2.6236      2.00000
     43       2.6978      2.00000
     44       2.7436      2.00000
     45       2.8174      2.00000
     46       2.8996      2.00000
     47       2.9582      2.00000
     48       3.0050      2.00000
     49       3.1177      2.00000
     50       3.1600      2.00000
     51       3.1996      2.00000
     52       3.3132      2.00000
     53       3.4018      2.00000
     54       3.5611      2.00000
     55       3.7486      2.00000
     56       3.9028      2.00000
     57       4.0394      2.00000
     58       4.2877      2.00000
     59       6.2431     -0.06573
     60       6.6613     -0.00006
     61       7.1141     -0.00000
     62       7.3107     -0.00000
     63       8.0097     -0.00000
     64       8.2319     -0.00000
     65       8.3950     -0.00000
     66       8.7939     -0.00000
     67       9.5505     -0.00000
     68       9.8212     -0.00000
     69      10.1349     -0.00000
     70      10.3490     -0.00000
     71      10.8671     -0.00000
     72      11.3455     -0.00000
     73      12.0645      0.00000
     74      12.2074      0.00000
     75      12.6343      0.00000
     76      13.1449      0.00000
     77      13.5556      0.00000
     78      13.7493      0.00000
     79      14.3225      0.00000
     80      14.6310      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.9129      2.00000
      9      -0.4510      2.00000
     10       0.0425      2.00000
     11       0.0923      2.00000
     12       0.3961      2.00000
     13       0.4977      2.00000
     14       0.6479      2.00000
     15       0.6700      2.00000
     16       0.7369      2.00000
     17       0.7796      2.00000
     18       0.8187      2.00000
     19       0.9036      2.00000
     20       1.0218      2.00000
     21       1.0464      2.00000
     22       1.1267      2.00000
     23       1.2310      2.00000
     24       1.2734      2.00000
     25       1.2964      2.00000
     26       1.3796      2.00000
     27       1.4643      2.00000
     28       1.6721      2.00000
     29       1.6978      2.00000
     30       1.7868      2.00000
     31       1.8256      2.00000
     32       1.8560      2.00000
     33       1.9140      2.00000
     34       1.9745      2.00000
     35       1.9983      2.00000
     36       2.0301      2.00000
     37       2.2425      2.00000
     38       2.2943      2.00000
     39       2.3531      2.00000
     40       2.4855      2.00000
     41       2.5205      2.00000
     42       2.5696      2.00000
     43       2.6898      2.00000
     44       2.7132      2.00000
     45       2.7435      2.00000
     46       2.7656      2.00000
     47       2.8554      2.00000
     48       2.8802      2.00000
     49       2.9154      2.00000
     50       3.0749      2.00000
     51       3.1664      2.00000
     52       3.3330      2.00000
     53       3.3473      2.00000
     54       3.5863      2.00000
     55       3.7560      2.00000
     56       3.8247      2.00000
     57       4.0299      2.00000
     58       4.6324      2.00000
     59       4.8240      2.00000
     60       6.5751     -0.00066
     61       7.0603     -0.00000
     62       7.5118     -0.00000
     63       7.6297     -0.00000
     64       7.8459     -0.00000
     65       8.0337     -0.00000
     66       8.6762     -0.00000
     67       8.9071     -0.00000
     68       9.1944     -0.00000
     69       9.5816     -0.00000
     70       9.6057     -0.00000
     71       9.7995     -0.00000
     72      10.0891     -0.00000
     73      11.4963      0.00000
     74      11.8074      0.00000
     75      11.8872      0.00000
     76      13.0020      0.00000
     77      13.3849      0.00000
     78      13.9820      0.00000
     79      14.2279      0.00000
     80      14.5714      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3632      2.00000
      9      -0.1213      2.00000
     10       0.1026      2.00000
     11       0.1539      2.00000
     12       0.4189      2.00000
     13       0.5355      2.00000
     14       0.6110      2.00000
     15       0.6889      2.00000
     16       0.7679      2.00000
     17       0.8942      2.00000
     18       0.9367      2.00000
     19       1.0670      2.00000
     20       1.1200      2.00000
     21       1.1835      2.00000
     22       1.2125      2.00000
     23       1.3448      2.00000
     24       1.3921      2.00000
     25       1.4463      2.00000
     26       1.5100      2.00000
     27       1.6576      2.00000
     28       1.7010      2.00000
     29       1.7180      2.00000
     30       1.7385      2.00000
     31       1.8342      2.00000
     32       1.8756      2.00000
     33       1.9347      2.00000
     34       2.0093      2.00000
     35       2.1247      2.00000
     36       2.1628      2.00000
     37       2.2549      2.00000
     38       2.2802      2.00000
     39       2.3479      2.00000
     40       2.3966      2.00000
     41       2.4369      2.00000
     42       2.5275      2.00000
     43       2.5701      2.00000
     44       2.5974      2.00000
     45       2.6442      2.00000
     46       2.6790      2.00000
     47       2.7316      2.00000
     48       2.7931      2.00000
     49       2.8778      2.00000
     50       3.0756      2.00000
     51       3.1284      2.00000
     52       3.1802      2.00000
     53       3.2260      2.00000
     54       3.4912      2.00000
     55       3.6005      2.00000
     56       3.9585      2.00000
     57       4.6252      2.00000
     58       4.7050      2.00000
     59       5.1240      2.00000
     60       5.6498      2.02437
     61       5.7831      2.07064
     62       6.0891      0.46694
     63       6.3845     -0.02797
     64       6.9315     -0.00000
     65       7.6589     -0.00000
     66       8.4566     -0.00000
     67       9.0033     -0.00000
     68       9.3602     -0.00000
     69       9.4845     -0.00000
     70       9.8168     -0.00000
     71      10.6778     -0.00000
     72      11.0220     -0.00000
     73      11.3707     -0.00000
     74      11.7110      0.00000
     75      12.0761      0.00000
     76      12.4080      0.00000
     77      12.7667      0.00000
     78      13.6266      0.00000
     79      13.9627      0.00000
     80      14.1743      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4276      2.00000
      9      -0.1864      2.00000
     10       0.0368      2.00000
     11       0.1391      2.00000
     12       0.5274      2.00000
     13       0.5876      2.00000
     14       0.6787      2.00000
     15       0.7357      2.00000
     16       0.7967      2.00000
     17       0.8764      2.00000
     18       0.9537      2.00000
     19       1.0916      2.00000
     20       1.1087      2.00000
     21       1.1956      2.00000
     22       1.2713      2.00000
     23       1.2962      2.00000
     24       1.3655      2.00000
     25       1.4131      2.00000
     26       1.4670      2.00000
     27       1.5540      2.00000
     28       1.6689      2.00000
     29       1.7415      2.00000
     30       1.7736      2.00000
     31       1.8338      2.00000
     32       1.8469      2.00000
     33       1.9592      2.00000
     34       2.0615      2.00000
     35       2.0958      2.00000
     36       2.1347      2.00000
     37       2.2422      2.00000
     38       2.2800      2.00000
     39       2.2887      2.00000
     40       2.4384      2.00000
     41       2.4752      2.00000
     42       2.4819      2.00000
     43       2.5548      2.00000
     44       2.6223      2.00000
     45       2.6517      2.00000
     46       2.7029      2.00000
     47       2.7953      2.00000
     48       2.8026      2.00000
     49       2.8821      2.00000
     50       3.0913      2.00000
     51       3.1687      2.00000
     52       3.2513      2.00000
     53       3.4840      2.00000
     54       3.5656      2.00000
     55       3.6544      2.00000
     56       4.0664      2.00000
     57       4.5152      2.00000
     58       4.5659      2.00000
     59       4.8285      2.00000
     60       5.1692      2.00000
     61       5.6605      2.02823
     62       6.1413      0.16378
     63       6.4050     -0.02089
     64       7.5696     -0.00000
     65       7.7384     -0.00000
     66       8.0255     -0.00000
     67       8.4288     -0.00000
     68       8.9593     -0.00000
     69       9.6251     -0.00000
     70      10.2622     -0.00000
     71      10.3965     -0.00000
     72      11.2707     -0.00000
     73      11.6991      0.00000
     74      12.2999      0.00000
     75      12.4686      0.00000
     76      12.6347      0.00000
     77      13.3639      0.00000
     78      13.6171      0.00000
     79      14.1755      0.00000
     80      14.3081      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7743      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0481      2.00000
      9      -0.4635      2.00000
     10      -0.0824      2.00000
     11       0.3274      2.00000
     12       0.4412      2.00000
     13       0.5136      2.00000
     14       0.5654      2.00000
     15       0.6435      2.00000
     16       0.7481      2.00000
     17       0.8205      2.00000
     18       0.9197      2.00000
     19       0.9912      2.00000
     20       1.0240      2.00000
     21       1.0977      2.00000
     22       1.1817      2.00000
     23       1.2113      2.00000
     24       1.3120      2.00000
     25       1.3367      2.00000
     26       1.3582      2.00000
     27       1.4390      2.00000
     28       1.5045      2.00000
     29       1.6038      2.00000
     30       1.7671      2.00000
     31       1.8415      2.00000
     32       1.8628      2.00000
     33       1.9311      2.00000
     34       1.9910      2.00000
     35       2.0433      2.00000
     36       2.1223      2.00000
     37       2.1963      2.00000
     38       2.2638      2.00000
     39       2.3306      2.00000
     40       2.4531      2.00000
     41       2.4941      2.00000
     42       2.5123      2.00000
     43       2.6524      2.00000
     44       2.6843      2.00000
     45       2.7610      2.00000
     46       2.8049      2.00000
     47       2.8518      2.00000
     48       2.9261      2.00000
     49       3.0236      2.00000
     50       3.0834      2.00000
     51       3.1501      2.00000
     52       3.2185      2.00000
     53       3.3249      2.00000
     54       3.4894      2.00000
     55       3.6546      2.00000
     56       3.8534      2.00000
     57       4.7576      2.00000
     58       5.2146      2.00000
     59       5.3461      2.00002
     60       5.6006      2.01112
     61       6.3461     -0.04433
     62       6.5463     -0.00133
     63       7.2897     -0.00000
     64       7.3971     -0.00000
     65       7.6621     -0.00000
     66       8.0606     -0.00000
     67       8.8473     -0.00000
     68       9.6508     -0.00000
     69       9.9813     -0.00000
     70      10.5010     -0.00000
     71      10.6884     -0.00000
     72      11.0187     -0.00000
     73      11.3048     -0.00000
     74      12.4705      0.00000
     75      13.0361      0.00000
     76      13.3004      0.00000
     77      13.6001      0.00000
     78      14.1241      0.00000
     79      14.2323      0.00000
     80      14.8716      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6535      2.00000
      5     -39.6529      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.4872      2.00000
      9      -0.7355      2.00000
     10      -0.3622      2.00000
     11       0.1617      2.00000
     12       0.2187      2.00000
     13       0.4626      2.00000
     14       0.5312      2.00000
     15       0.6050      2.00000
     16       0.6318      2.00000
     17       0.6643      2.00000
     18       0.8219      2.00000
     19       0.8789      2.00000
     20       0.9372      2.00000
     21       0.9735      2.00000
     22       0.9963      2.00000
     23       1.1461      2.00000
     24       1.1803      2.00000
     25       1.2465      2.00000
     26       1.3204      2.00000
     27       1.4387      2.00000
     28       1.5468      2.00000
     29       1.5950      2.00000
     30       1.6163      2.00000
     31       1.6903      2.00000
     32       1.8950      2.00000
     33       1.9677      2.00000
     34       2.0184      2.00000
     35       2.0939      2.00000
     36       2.1947      2.00000
     37       2.2591      2.00000
     38       2.3380      2.00000
     39       2.3588      2.00000
     40       2.4548      2.00000
     41       2.4754      2.00000
     42       2.6356      2.00000
     43       2.6766      2.00000
     44       2.7546      2.00000
     45       2.7805      2.00000
     46       2.8285      2.00000
     47       2.9658      2.00000
     48       2.9855      2.00000
     49       3.1193      2.00000
     50       3.1566      2.00000
     51       3.1986      2.00000
     52       3.3066      2.00000
     53       3.3825      2.00000
     54       3.6156      2.00000
     55       3.7848      2.00000
     56       3.8320      2.00000
     57       4.6184      2.00000
     58       5.1260      2.00000
     59       5.6751      2.03408
     60       6.1454      0.14544
     61       6.4447     -0.01092
     62       6.9250     -0.00000
     63       7.2638     -0.00000
     64       7.9470     -0.00000
     65       8.8940     -0.00000
     66       8.9943     -0.00000
     67       9.2183     -0.00000
     68       9.9880     -0.00000
     69      10.0516     -0.00000
     70      11.7117      0.00000
     71      11.9060      0.00000
     72      12.1255      0.00000
     73      12.2438      0.00000
     74      12.4611      0.00000
     75      12.8959      0.00000
     76      13.3041      0.00000
     77      13.5679      0.00000
     78      13.8175      0.00000
     79      13.9598      0.00000
     80      14.4597      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.007  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.007   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.001  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001  -0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.025   0.010   0.030   0.009   0.006  -1.172  -0.014  -0.025  -0.038  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.077  -0.272   0.020  -0.174  -0.014  -1.062   0.226  -0.010   0.139  -0.064   0.011   0.000   0.173   0.008   0.000
  0.030  -0.272   2.661   0.008  -0.320  -0.025   0.226  -0.702  -0.018   0.235   0.083  -0.035  -0.112  -0.021  -0.004   0.006
  0.009   0.020   0.008   2.948   0.016  -0.038  -0.010  -0.018  -1.113  -0.007  -0.020   0.004   0.011   0.004  -0.023  -0.000
  0.006  -0.174  -0.320   0.016   3.079  -0.013   0.139   0.235  -0.007  -1.017  -0.144   0.069   0.045  -0.010   0.020   0.008
 -1.172  -0.014  -0.025  -0.038  -0.013   1.225   0.018   0.020   0.063   0.019  -0.016   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.062   0.226  -0.010   0.139   0.018   0.981  -0.182   0.003  -0.104   0.059  -0.013  -0.008  -0.138  -0.007   0.000
 -0.025   0.226  -0.702  -0.018   0.235   0.020  -0.182   0.681   0.026  -0.163  -0.091   0.046   0.084   0.025   0.002  -0.002
 -0.038  -0.010  -0.018  -1.113  -0.007   0.063   0.003   0.026   1.174   0.001   0.019  -0.006  -0.009  -0.002   0.014   0.000
 -0.014   0.139   0.235  -0.007  -1.017   0.019  -0.104  -0.163   0.001   0.908   0.134  -0.074  -0.048   0.011  -0.016  -0.000
  0.018  -0.064   0.083  -0.020  -0.144  -0.016   0.059  -0.091   0.019   0.134   2.092  -0.312  -0.042   0.003   0.001   0.002
 -0.005   0.011  -0.035   0.004   0.069   0.005  -0.013   0.046  -0.006  -0.074  -0.312   0.126   0.060  -0.004   0.002  -0.002
 -0.012   0.000  -0.112   0.011   0.045   0.012  -0.008   0.084  -0.009  -0.048  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.173  -0.021   0.004  -0.010  -0.006  -0.138   0.025  -0.002   0.011   0.003  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.023   0.020  -0.290  -0.007   0.002   0.014  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.67: real time    1.67
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.65: real time    3.66
    STRESS:  cpu time    6.59: real time    6.62
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          Y     EDDAV:  cpu time   19.98: real time   20.04
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.73: real time   21.80

 eigenvalue-minimisations  :  9344
 total energy-change (2. order) : 0.1014567E-04  (-0.4109790E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0522142 magnetization 

 Broyden mixing:
  rms(total) = 0.19348E-02    rms(broyden)= 0.19346E-02
  rms(prec ) = 0.22693E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4361
  0.9949  1.8774

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.29130328
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45805733
  PAW double counting   =      9486.31887861    -9414.27066281
  entropy T*S    EENTRO =         0.00511374
  eigenvalues    EBANDS =      -338.68162729
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87752178 eV

  energy without entropy =      -49.88263552  energy(sigma->0) =      -49.87922636
429334
    -3.908790081  8.756143563  0.925899455     0.002763091  0.115174859  0.002497838
    -2.320329876 -0.099496280  7.154488324    -0.005201157 -0.016898534  0.137850565

  length of vectors
     4.102004495  9.633586030  7.522003285     0.275522527  0.115235072  0.138979822


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.372E+01 -.160E+03 0.250E+02   0.389E+01 0.163E+03 -.253E+02   -.162E+00 -.282E+01 0.265E+00   0.391E-04 0.285E-03 -.567E-03
   0.373E+01 0.160E+03 -.250E+02   -.389E+01 -.163E+03 0.253E+02   0.162E+00 0.282E+01 -.264E+00   -.299E-04 -.291E-03 0.567E-03
   0.317E+01 0.146E+03 0.665E+01   -.326E+01 -.148E+03 -.646E+01   0.948E-01 0.127E+01 -.189E+00   -.355E-04 -.106E-02 -.325E-03
   -.100E+00 -.701E+02 -.429E+02   0.103E+00 0.698E+02 0.438E+02   -.245E-02 0.317E+00 -.854E+00   -.217E-05 0.284E-03 -.432E-03
   0.630E+01 0.978E+02 -.964E+02   -.636E+01 -.990E+02 0.978E+02   0.605E-01 0.127E+01 -.141E+01   -.450E-04 -.727E-04 0.433E-04
   -.178E-01 0.665E-03 0.230E-02   0.177E-01 -.505E-03 -.254E-02   0.400E-03 -.219E-03 0.372E-03   0.239E-05 -.517E-05 0.649E-05
   -.629E+01 -.978E+02 0.964E+02   0.635E+01 0.991E+02 -.978E+02   -.605E-01 -.127E+01 0.141E+01   0.399E-04 0.804E-04 -.515E-04
   -.316E+01 -.146E+03 -.666E+01   0.325E+01 0.148E+03 0.648E+01   -.953E-01 -.127E+01 0.188E+00   0.201E-04 0.107E-02 0.337E-03
   0.937E-01 0.701E+02 0.429E+02   -.964E-01 -.698E+02 -.438E+02   0.252E-02 -.317E+00 0.854E+00   -.410E-05 -.272E-03 0.431E-03
   0.669E-02 0.394E-02 -.159E-02   -.651E-02 -.375E-02 0.170E-02   -.197E-03 -.152E-03 -.697E-04   0.196E-06 0.213E-06 0.361E-06
   0.918E+00 0.940E+01 -.280E+02   -.924E+00 -.922E+01 0.279E+02   0.603E-02 -.181E+00 0.985E-01   0.138E-04 0.819E-04 -.723E-04
   -.930E+00 -.939E+01 0.280E+02   0.936E+00 0.921E+01 -.279E+02   -.583E-02 0.180E+00 -.987E-01   -.134E-04 -.820E-04 0.706E-04
   0.731E+00 -.929E+01 -.204E+02   -.688E+00 0.933E+01 0.201E+02   -.425E-01 -.442E-01 0.274E+00   -.226E-06 0.427E-04 0.835E-05
   -.172E+01 -.622E+02 0.461E+01   0.171E+01 0.621E+02 -.486E+01   0.600E-02 0.657E-01 0.244E+00   0.347E-05 0.127E-03 0.382E-06
   -.733E+00 0.932E+01 0.204E+02   0.690E+00 -.936E+01 -.201E+02   0.426E-01 0.438E-01 -.275E+00   0.290E-06 -.426E-04 -.797E-05
   0.172E+01 0.622E+02 -.462E+01   -.171E+01 -.621E+02 0.487E+01   -.615E-02 -.656E-01 -.243E+00   -.180E-05 -.128E-03 -.279E-05
 -----------------------------------------------------------------------------------------------
   0.288E-04 -.290E-03 -.220E-03   -.140E-13 -.192E-12 -.231E-13   -.163E-04 0.134E-02 0.836E-04   -.128E-04 0.975E-05 0.619E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06949      6.36379      7.88939         0.001277      0.000404     -0.002169
     -2.90873      8.16142      4.54696        -0.001276     -0.000301      0.002215
     -1.04324      1.16746      4.63301         0.000529     -0.002881     -0.001215
     -2.90112      5.24258      2.40011         0.000090     -0.001862     -0.001654
      1.19267      1.83231      0.31915        -0.000683      0.003521     -0.002128
     -3.08394      2.93522      5.68413         0.000298     -0.000130      0.000151
     -0.94186      4.03626      4.03683         0.000561     -0.003351      0.001987
     -1.02624      4.60153      6.87751        -0.000650      0.003011      0.001171
      3.15191      0.62635      1.95597        -0.000112      0.001743      0.001731
     -5.03813      7.31329      6.14706        -0.000021     -0.000024      0.000041
     -0.84852      3.63499      1.26156         0.000207      0.000533     -0.001836
      1.09915      2.23404      3.09443        -0.000202     -0.000406      0.001892
     -0.84955      6.70728      3.45893         0.000526     -0.001246      0.000293
     -2.99564      5.53666      5.14056         0.001376     -0.000992     -0.001748
     -2.80843      7.91784      1.82299        -0.000486      0.000993     -0.000393
      0.92619      0.23233      6.36991        -0.001432      0.000988      0.001660
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.001057     -0.000130


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87795762 eV

  energy  without entropy=      -49.88281323  energy(sigma->0) =      -49.87957616
 
 d Force = 0.3081612E-04[ 0.172E-04, 0.444E-04]  d Energy = 0.4175646E-04-0.109E-04
 d Force =-0.3303477E+00[-0.331E+00,-0.329E+00]  d Ewald  = 0.4174010E+00-0.748E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.07


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000042  1 .order   -0.000040   -0.000068   -0.000012
  (g-gl).g = 0.262E-04      g.g   = 0.239E-04  gl.gl    = 0.362E-04
 g(Force)  = 0.143E-04   g(Stress)= 0.963E-05 ortho     =-0.209E-06
 gamma     =   0.72499
 trial     =   2.85802
 opt step  =   3.35996  (harmonic =   3.47517) maximal distance =0.00219605
 next E    =   -49.877959   (d E  =  -0.00004)


--------------------------------------------------------------------------------------------------------


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  cpu time  128.81: real time  129.58
    4ORBIT:  cpu time    0.00: real time    0.00

 total amount of memory used by VASP on root node   185536. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :     113045. kBytes
   fftplans  :       1823. kBytes
   grid      :       8971. kBytes
   one-center:        248. kBytes
   wavefun   :      31449. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     2752.740
                            User time (sec):     2748.553
                          System time (sec):        4.187
                         Elapsed time (sec):     2769.819
  
                   Maximum memory used (kb):      278116.
                   Average memory used (kb):           0.
  
                          Minor page faults:        19882
                          Major page faults:            0
                 Voluntary context switches:        18750


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.81: real time   17.87
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.59: real time   19.65

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.7345960E-05  (-0.1062039E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0519727 magnetization 

 Broyden mixing:
  rms(total) = 0.52668E-03    rms(broyden)= 0.52667E-03
  rms(prec ) = 0.57513E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3821
  2.1447  1.1453  0.8562

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.30649645
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46005001
  PAW double counting   =      9485.89597663    -9413.84938760
  entropy T*S    EENTRO =         0.00510813
  eigenvalues    EBANDS =      -338.66678708
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87751444 eV

  energy without entropy =      -49.88262257  energy(sigma->0) =      -49.87921715


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.24: real time   19.29
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.99: real time   21.04

 eigenvalue-minimisations  :  8896
 total energy-change (2. order) : 0.4720750E-06  (-0.1057851E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0521233 magnetization 

 Broyden mixing:
  rms(total) = 0.23170E-03    rms(broyden)= 0.23167E-03
  rms(prec ) = 0.24314E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3834
  2.0435  1.6974  0.9214  0.8711

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.30453183
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46027767
  PAW double counting   =      9485.85797958    -9413.81242029
  entropy T*S    EENTRO =         0.00510751
  eigenvalues    EBANDS =      -338.66794853
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87751396 eV

  energy without entropy =      -49.88262148  energy(sigma->0) =      -49.87921647


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   6)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.62: real time   13.66
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.65: real time   13.69

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) : 0.3169953E-07  (-0.7266233E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0521233 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.16013992
  Ewald energy   TEWEN  =     -8356.78569330
  -1/2 Hartree   DENC   =     -1870.30449260
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46029615
  PAW double counting   =      9485.85688215    -9413.81195602
  entropy T*S    EENTRO =         0.00510788
  eigenvalues    EBANDS =      -338.66737341
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87751393 eV

  energy without entropy =      -49.88262181  energy(sigma->0) =      -49.87921656


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4586       2 -67.4587       3 -67.5458       4 -67.5090       5 -67.5368
       6 -67.5984       7 -67.5368       8 -67.5457       9 -67.5090      10 -58.8830
      11 -59.0106      12 -59.0106      13 -58.6971      14 -58.7480      15 -58.6969
      16 -58.7479
 
 
 
 E-fermi :   6.0180     XC(G=0): -10.7489     alpha+bet :-12.3656


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7890      2.00000
      4     -39.6546      2.00000
      5     -39.6542      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.9436      2.00000
      9      -0.6505      2.00000
     10      -0.1272      2.00000
     11       0.1717      2.00000
     12       0.2607      2.00000
     13       0.2919      2.00000
     14       0.4379      2.00000
     15       0.5335      2.00000
     16       0.6061      2.00000
     17       0.6320      2.00000
     18       0.6688      2.00000
     19       0.7428      2.00000
     20       0.8937      2.00000
     21       0.9394      2.00000
     22       1.0526      2.00000
     23       1.0969      2.00000
     24       1.1869      2.00000
     25       1.2183      2.00000
     26       1.2817      2.00000
     27       1.3135      2.00000
     28       1.5806      2.00000
     29       1.6523      2.00000
     30       1.7097      2.00000
     31       1.7383      2.00000
     32       1.7885      2.00000
     33       1.9189      2.00000
     34       1.9386      2.00000
     35       2.1469      2.00000
     36       2.1749      2.00000
     37       2.2710      2.00000
     38       2.3141      2.00000
     39       2.4451      2.00000
     40       2.5340      2.00000
     41       2.5855      2.00000
     42       2.6386      2.00000
     43       2.7234      2.00000
     44       2.8649      2.00000
     45       2.8734      2.00000
     46       2.9057      2.00000
     47       2.9998      2.00000
     48       3.0416      2.00000
     49       3.0997      2.00000
     50       3.1312      2.00000
     51       3.3260      2.00000
     52       3.3845      2.00000
     53       3.4993      2.00000
     54       3.5832      2.00000
     55       3.8875      2.00000
     56       4.0724      2.00000
     57       4.2295      2.00000
     58       4.2311      2.00000
     59       4.9494      2.00000
     60       5.6207      2.01670
     61       6.2814     -0.06863
     62       8.1959     -0.00000
     63       8.2961     -0.00000
     64       8.3200     -0.00000
     65       8.9347     -0.00000
     66       9.6679     -0.00000
     67      10.3880     -0.00000
     68      10.7357     -0.00000
     69      11.4814      0.00000
     70      11.7654      0.00000
     71      11.8237      0.00000
     72      12.0613      0.00000
     73      12.2713      0.00000
     74      12.3410      0.00000
     75      12.5156      0.00000
     76      12.7931      0.00000
     77      13.2975      0.00000
     78      13.6586      0.00000
     79      13.7918      0.00000
     80      14.6374      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6713      2.00000
      9      -0.5728      2.00000
     10      -0.2734      2.00000
     11       0.2635      2.00000
     12       0.2796      2.00000
     13       0.3875      2.00000
     14       0.4649      2.00000
     15       0.6008      2.00000
     16       0.6128      2.00000
     17       0.7306      2.00000
     18       0.8243      2.00000
     19       0.9088      2.00000
     20       0.9349      2.00000
     21       0.9735      2.00000
     22       1.0987      2.00000
     23       1.1159      2.00000
     24       1.1972      2.00000
     25       1.2485      2.00000
     26       1.3509      2.00000
     27       1.3785      2.00000
     28       1.4948      2.00000
     29       1.6261      2.00000
     30       1.6638      2.00000
     31       1.7513      2.00000
     32       1.8214      2.00000
     33       1.8534      2.00000
     34       2.0107      2.00000
     35       2.0300      2.00000
     36       2.1704      2.00000
     37       2.2529      2.00000
     38       2.3587      2.00000
     39       2.4530      2.00000
     40       2.5022      2.00000
     41       2.5635      2.00000
     42       2.6062      2.00000
     43       2.6837      2.00000
     44       2.7344      2.00000
     45       2.8020      2.00000
     46       2.8205      2.00000
     47       2.9238      2.00000
     48       3.0508      2.00000
     49       3.1123      2.00000
     50       3.1958      2.00000
     51       3.2370      2.00000
     52       3.2718      2.00000
     53       3.4166      2.00000
     54       3.6149      2.00000
     55       3.7093      2.00000
     56       3.8478      2.00000
     57       4.0944      2.00000
     58       4.5833      2.00000
     59       5.5119      2.00202
     60       6.2812     -0.06867
     61       6.7914     -0.00000
     62       7.1006     -0.00000
     63       7.7148     -0.00000
     64       8.1675     -0.00000
     65       8.5800     -0.00000
     66       8.7187     -0.00000
     67       9.6394     -0.00000
     68      10.2971     -0.00000
     69      10.6155     -0.00000
     70      10.6653     -0.00000
     71      11.1320     -0.00000
     72      11.7225      0.00000
     73      12.5526      0.00000
     74      12.9446      0.00000
     75      13.2299      0.00000
     76      13.3002      0.00000
     77      13.4774      0.00000
     78      13.8560      0.00000
     79      14.4462      0.00000
     80      14.7162      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0306      2.00000
      9      -0.4128      2.00000
     10      -0.1255      2.00000
     11       0.3203      2.00000
     12       0.4218      2.00000
     13       0.4998      2.00000
     14       0.5868      2.00000
     15       0.6468      2.00000
     16       0.7353      2.00000
     17       0.8393      2.00000
     18       0.9158      2.00000
     19       0.9974      2.00000
     20       1.0419      2.00000
     21       1.0743      2.00000
     22       1.1737      2.00000
     23       1.2266      2.00000
     24       1.2796      2.00000
     25       1.3118      2.00000
     26       1.3587      2.00000
     27       1.4545      2.00000
     28       1.5529      2.00000
     29       1.6033      2.00000
     30       1.7248      2.00000
     31       1.8103      2.00000
     32       1.8586      2.00000
     33       1.9574      2.00000
     34       2.0154      2.00000
     35       2.1072      2.00000
     36       2.1235      2.00000
     37       2.1871      2.00000
     38       2.2518      2.00000
     39       2.3077      2.00000
     40       2.4005      2.00000
     41       2.4887      2.00000
     42       2.5367      2.00000
     43       2.6544      2.00000
     44       2.6936      2.00000
     45       2.7429      2.00000
     46       2.7932      2.00000
     47       2.8396      2.00000
     48       2.9252      2.00000
     49       3.0124      2.00000
     50       3.0986      2.00000
     51       3.1422      2.00000
     52       3.2364      2.00000
     53       3.3640      2.00000
     54       3.4556      2.00000
     55       3.5794      2.00000
     56       3.8199      2.00000
     57       4.6133      2.00000
     58       5.0046      2.00000
     59       5.4464      2.00040
     60       5.7826      2.07017
     61       6.4811     -0.00508
     62       6.8367     -0.00000
     63       6.9858     -0.00000
     64       7.5305     -0.00000
     65       7.9933     -0.00000
     66       8.3403     -0.00000
     67       8.6937     -0.00000
     68       9.4243     -0.00000
     69       9.8039     -0.00000
     70      10.3569     -0.00000
     71      10.4734     -0.00000
     72      10.7902     -0.00000
     73      11.4044     -0.00000
     74      12.1866      0.00000
     75      13.1248      0.00000
     76      13.6939      0.00000
     77      13.7567      0.00000
     78      13.8862      0.00000
     79      14.2818      0.00000
     80      14.6933      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3890      2.00000
      9      -0.1097      2.00000
     10       0.0913      2.00000
     11       0.1643      2.00000
     12       0.4854      2.00000
     13       0.5079      2.00000
     14       0.5604      2.00000
     15       0.6348      2.00000
     16       0.8263      2.00000
     17       0.9189      2.00000
     18       0.9328      2.00000
     19       1.1111      2.00000
     20       1.1670      2.00000
     21       1.1835      2.00000
     22       1.2696      2.00000
     23       1.3701      2.00000
     24       1.3909      2.00000
     25       1.4074      2.00000
     26       1.4763      2.00000
     27       1.5152      2.00000
     28       1.6456      2.00000
     29       1.6828      2.00000
     30       1.7345      2.00000
     31       1.8018      2.00000
     32       1.9105      2.00000
     33       1.9539      2.00000
     34       2.0624      2.00000
     35       2.1440      2.00000
     36       2.1612      2.00000
     37       2.1838      2.00000
     38       2.2798      2.00000
     39       2.3149      2.00000
     40       2.3701      2.00000
     41       2.4637      2.00000
     42       2.4789      2.00000
     43       2.5497      2.00000
     44       2.6400      2.00000
     45       2.6733      2.00000
     46       2.7587      2.00000
     47       2.8005      2.00000
     48       2.8384      2.00000
     49       2.9228      2.00000
     50       3.0615      2.00000
     51       3.1618      2.00000
     52       3.2708      2.00000
     53       3.3646      2.00000
     54       3.5550      2.00000
     55       3.6409      2.00000
     56       3.8215      2.00000
     57       4.1454      2.00000
     58       4.2955      2.00000
     59       5.1344      2.00000
     60       5.8640      1.96419
     61       6.0545      0.69692
     62       6.1712      0.03848
     63       6.8164     -0.00000
     64       7.0754     -0.00000
     65       7.6686     -0.00000
     66       8.2230     -0.00000
     67       8.4891     -0.00000
     68       8.8322     -0.00000
     69       9.4847     -0.00000
     70       9.7744     -0.00000
     71      10.5280     -0.00000
     72      10.9666     -0.00000
     73      11.1346     -0.00000
     74      11.7828      0.00000
     75      12.2795      0.00000
     76      12.7655      0.00000
     77      13.4120      0.00000
     78      13.7800      0.00000
     79      13.9630      0.00000
     80      14.6486      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4440      2.00000
      9      -0.1792      2.00000
     10       0.0377      2.00000
     11       0.1383      2.00000
     12       0.5024      2.00000
     13       0.5274      2.00000
     14       0.7036      2.00000
     15       0.7405      2.00000
     16       0.8740      2.00000
     17       0.9139      2.00000
     18       0.9896      2.00000
     19       1.0667      2.00000
     20       1.0869      2.00000
     21       1.2411      2.00000
     22       1.2815      2.00000
     23       1.3282      2.00000
     24       1.3852      2.00000
     25       1.3927      2.00000
     26       1.4453      2.00000
     27       1.4935      2.00000
     28       1.6696      2.00000
     29       1.7019      2.00000
     30       1.7447      2.00000
     31       1.8037      2.00000
     32       1.8761      2.00000
     33       1.9060      2.00000
     34       2.0424      2.00000
     35       2.0809      2.00000
     36       2.1441      2.00000
     37       2.1616      2.00000
     38       2.2299      2.00000
     39       2.3384      2.00000
     40       2.4408      2.00000
     41       2.4624      2.00000
     42       2.5414      2.00000
     43       2.5833      2.00000
     44       2.6242      2.00000
     45       2.6783      2.00000
     46       2.7342      2.00000
     47       2.8062      2.00000
     48       2.8488      2.00000
     49       2.9102      2.00000
     50       3.0972      2.00000
     51       3.1813      2.00000
     52       3.2059      2.00000
     53       3.5184      2.00000
     54       3.5514      2.00000
     55       3.7426      2.00000
     56       4.2034      2.00000
     57       4.3903      2.00000
     58       4.5648      2.00000
     59       4.7192      2.00000
     60       5.1880      2.00000
     61       5.6158      2.01541
     62       6.0833      0.47906
     63       6.1032      0.34669
     64       7.1078     -0.00000
     65       8.2638     -0.00000
     66       8.3951     -0.00000
     67       8.9061     -0.00000
     68       9.1554     -0.00000
     69       9.2520     -0.00000
     70       9.9614     -0.00000
     71      10.4673     -0.00000
     72      10.6014     -0.00000
     73      11.3595     -0.00000
     74      11.9203      0.00000
     75      12.5772      0.00000
     76      13.1557      0.00000
     77      13.5213      0.00000
     78      13.8753      0.00000
     79      14.1293      0.00000
     80      14.4588      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1615      2.00000
      9      -0.4803      2.00000
     10       0.0245      2.00000
     11       0.1485      2.00000
     12       0.5199      2.00000
     13       0.5881      2.00000
     14       0.6517      2.00000
     15       0.6889      2.00000
     16       0.8189      2.00000
     17       0.8359      2.00000
     18       0.8703      2.00000
     19       0.9586      2.00000
     20       1.0867      2.00000
     21       1.1289      2.00000
     22       1.1858      2.00000
     23       1.2094      2.00000
     24       1.3050      2.00000
     25       1.3381      2.00000
     26       1.3940      2.00000
     27       1.4431      2.00000
     28       1.4776      2.00000
     29       1.6385      2.00000
     30       1.7360      2.00000
     31       1.7611      2.00000
     32       1.8398      2.00000
     33       1.9010      2.00000
     34       1.9607      2.00000
     35       2.0570      2.00000
     36       2.1590      2.00000
     37       2.2240      2.00000
     38       2.2955      2.00000
     39       2.3608      2.00000
     40       2.4387      2.00000
     41       2.5179      2.00000
     42       2.5556      2.00000
     43       2.6044      2.00000
     44       2.6555      2.00000
     45       2.7681      2.00000
     46       2.7926      2.00000
     47       2.8767      2.00000
     48       2.8872      2.00000
     49       3.0449      2.00000
     50       3.0903      2.00000
     51       3.1363      2.00000
     52       3.2106      2.00000
     53       3.3211      2.00000
     54       3.5287      2.00000
     55       3.6983      2.00000
     56       4.0988      2.00000
     57       4.4562      2.00000
     58       4.8441      2.00000
     59       5.4961      2.00140
     60       5.6988      2.04649
     61       6.0830      0.48150
     62       6.3605     -0.03604
     63       6.9718     -0.00000
     64       7.1804     -0.00000
     65       7.5817     -0.00000
     66       8.2225     -0.00000
     67       8.9825     -0.00000
     68       9.2537     -0.00000
     69      10.2430     -0.00000
     70      11.0462     -0.00000
     71      11.3105     -0.00000
     72      11.6849      0.00000
     73      12.1198      0.00000
     74      12.3663      0.00000
     75      12.7895      0.00000
     76      13.4226      0.00000
     77      13.6318      0.00000
     78      13.9024      0.00000
     79      14.2920      0.00000
     80      14.4162      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.7555      2.00000
      9      -0.6353      2.00000
     10       0.0408      2.00000
     11       0.1803      2.00000
     12       0.3288      2.00000
     13       0.3413      2.00000
     14       0.4047      2.00000
     15       0.6254      2.00000
     16       0.6457      2.00000
     17       0.7333      2.00000
     18       0.8123      2.00000
     19       0.8840      2.00000
     20       0.9076      2.00000
     21       1.0603      2.00000
     22       1.0650      2.00000
     23       1.1493      2.00000
     24       1.2174      2.00000
     25       1.2776      2.00000
     26       1.3011      2.00000
     27       1.3313      2.00000
     28       1.4618      2.00000
     29       1.6612      2.00000
     30       1.6804      2.00000
     31       1.7690      2.00000
     32       1.8281      2.00000
     33       1.8991      2.00000
     34       1.9247      2.00000
     35       2.0791      2.00000
     36       2.1558      2.00000
     37       2.2812      2.00000
     38       2.3316      2.00000
     39       2.3805      2.00000
     40       2.4852      2.00000
     41       2.5217      2.00000
     42       2.6173      2.00000
     43       2.7385      2.00000
     44       2.7946      2.00000
     45       2.8247      2.00000
     46       2.8707      2.00000
     47       2.9335      2.00000
     48       3.0226      2.00000
     49       3.0911      2.00000
     50       3.1226      2.00000
     51       3.2097      2.00000
     52       3.2660      2.00000
     53       3.4355      2.00000
     54       3.6761      2.00000
     55       3.7881      2.00000
     56       3.9468      2.00000
     57       4.1227      2.00000
     58       4.8594      2.00000
     59       5.0445      2.00000
     60       5.5588      2.00548
     61       6.7238     -0.00001
     62       7.1758     -0.00000
     63       7.7263     -0.00000
     64       8.2260     -0.00000
     65       8.7051     -0.00000
     66       8.9758     -0.00000
     67       9.3890     -0.00000
     68      10.1900     -0.00000
     69      10.7661     -0.00000
     70      10.8321     -0.00000
     71      11.4187     -0.00000
     72      12.4743      0.00000
     73      12.8945      0.00000
     74      13.0658      0.00000
     75      13.2683      0.00000
     76      13.4436      0.00000
     77      13.8112      0.00000
     78      13.8812      0.00000
     79      14.3066      0.00000
     80      14.4232      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7890      2.00000
      4     -39.6547      2.00000
      5     -39.6541      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.8627      2.00000
      9      -0.8983      2.00000
     10      -0.0304      2.00000
     11       0.1653      2.00000
     12       0.2081      2.00000
     13       0.2939      2.00000
     14       0.4308      2.00000
     15       0.5807      2.00000
     16       0.6109      2.00000
     17       0.6218      2.00000
     18       0.6861      2.00000
     19       0.7728      2.00000
     20       0.8413      2.00000
     21       0.9324      2.00000
     22       1.0370      2.00000
     23       1.0783      2.00000
     24       1.2482      2.00000
     25       1.2997      2.00000
     26       1.3944      2.00000
     27       1.4184      2.00000
     28       1.5871      2.00000
     29       1.6062      2.00000
     30       1.6467      2.00000
     31       1.7012      2.00000
     32       1.8037      2.00000
     33       1.8844      2.00000
     34       1.9424      2.00000
     35       2.1641      2.00000
     36       2.2240      2.00000
     37       2.2271      2.00000
     38       2.2922      2.00000
     39       2.4423      2.00000
     40       2.4984      2.00000
     41       2.6168      2.00000
     42       2.6588      2.00000
     43       2.6685      2.00000
     44       2.8188      2.00000
     45       2.8375      2.00000
     46       2.8810      2.00000
     47       2.9056      2.00000
     48       3.0584      2.00000
     49       3.1074      2.00000
     50       3.1482      2.00000
     51       3.3177      2.00000
     52       3.3654      2.00000
     53       3.4550      2.00000
     54       3.6315      2.00000
     55       3.9521      2.00000
     56       4.2221      2.00000
     57       4.2316      2.00000
     58       4.3473      2.00000
     59       4.8953      2.00000
     60       6.2807     -0.06877
     61       6.4918     -0.00408
     62       6.9173     -0.00000
     63       7.2062     -0.00000
     64       8.8148     -0.00000
     65       9.5474     -0.00000
     66       9.7130     -0.00000
     67       9.8942     -0.00000
     68      10.9810     -0.00000
     69      11.1986     -0.00000
     70      11.2918     -0.00000
     71      11.4588     -0.00000
     72      12.3118      0.00000
     73      12.6903      0.00000
     74      13.1330      0.00000
     75      13.3965      0.00000
     76      13.5192      0.00000
     77      13.8192      0.00000
     78      13.9934      0.00000
     79      14.2721      0.00000
     80      14.5266      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5819      2.00000
      9      -0.8183      2.00000
     10      -0.1474      2.00000
     11       0.2261      2.00000
     12       0.2662      2.00000
     13       0.4228      2.00000
     14       0.5034      2.00000
     15       0.5761      2.00000
     16       0.6194      2.00000
     17       0.6867      2.00000
     18       0.7852      2.00000
     19       0.8847      2.00000
     20       0.9573      2.00000
     21       0.9825      2.00000
     22       1.0512      2.00000
     23       1.1538      2.00000
     24       1.2158      2.00000
     25       1.2920      2.00000
     26       1.3683      2.00000
     27       1.3992      2.00000
     28       1.5300      2.00000
     29       1.5623      2.00000
     30       1.6181      2.00000
     31       1.6695      2.00000
     32       1.8866      2.00000
     33       1.9664      2.00000
     34       2.0186      2.00000
     35       2.1578      2.00000
     36       2.1834      2.00000
     37       2.2653      2.00000
     38       2.3142      2.00000
     39       2.3614      2.00000
     40       2.3862      2.00000
     41       2.4448      2.00000
     42       2.6512      2.00000
     43       2.6691      2.00000
     44       2.7732      2.00000
     45       2.7906      2.00000
     46       2.8395      2.00000
     47       2.9806      2.00000
     48       3.0077      2.00000
     49       3.1158      2.00000
     50       3.1749      2.00000
     51       3.1872      2.00000
     52       3.3061      2.00000
     53       3.4549      2.00000
     54       3.6434      2.00000
     55       3.6997      2.00000
     56       3.8882      2.00000
     57       4.4363      2.00000
     58       4.9008      2.00000
     59       5.5457      2.00420
     60       5.8531      1.99231
     61       6.5046     -0.00311
     62       7.0395     -0.00000
     63       7.5204     -0.00000
     64       8.0658     -0.00000
     65       8.3139     -0.00000
     66       8.9190     -0.00000
     67       9.4055     -0.00000
     68       9.6699     -0.00000
     69      10.4588     -0.00000
     70      12.0070      0.00000
     71      12.3027      0.00000
     72      12.3947      0.00000
     73      12.5579      0.00000
     74      12.7215      0.00000
     75      12.8485      0.00000
     76      13.3159      0.00000
     77      13.6015      0.00000
     78      13.9208      0.00000
     79      14.0013      0.00000
     80      14.4164      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0260      2.00000
      9      -0.3868      2.00000
     10      -0.1344      2.00000
     11       0.3203      2.00000
     12       0.3979      2.00000
     13       0.4944      2.00000
     14       0.5326      2.00000
     15       0.6718      2.00000
     16       0.7789      2.00000
     17       0.8135      2.00000
     18       0.9327      2.00000
     19       0.9408      2.00000
     20       1.0250      2.00000
     21       1.0722      2.00000
     22       1.1623      2.00000
     23       1.2169      2.00000
     24       1.3042      2.00000
     25       1.3502      2.00000
     26       1.4105      2.00000
     27       1.4746      2.00000
     28       1.5457      2.00000
     29       1.6113      2.00000
     30       1.7497      2.00000
     31       1.8226      2.00000
     32       1.8840      2.00000
     33       1.9231      2.00000
     34       1.9872      2.00000
     35       2.0381      2.00000
     36       2.0801      2.00000
     37       2.1365      2.00000
     38       2.2138      2.00000
     39       2.3076      2.00000
     40       2.4624      2.00000
     41       2.5004      2.00000
     42       2.5623      2.00000
     43       2.6193      2.00000
     44       2.6784      2.00000
     45       2.7943      2.00000
     46       2.8216      2.00000
     47       2.8734      2.00000
     48       2.9211      2.00000
     49       2.9712      2.00000
     50       3.0815      2.00000
     51       3.1692      2.00000
     52       3.2456      2.00000
     53       3.2820      2.00000
     54       3.4694      2.00000
     55       3.6059      2.00000
     56       4.0052      2.00000
     57       4.4741      2.00000
     58       5.2534      2.00000
     59       5.6782      2.03718
     60       5.8961      1.84864
     61       6.2902     -0.06620
     62       6.5241     -0.00202
     63       6.6974     -0.00002
     64       7.4408     -0.00000
     65       7.6876     -0.00000
     66       8.1026     -0.00000
     67       9.1336     -0.00000
     68       9.8257     -0.00000
     69       9.9502     -0.00000
     70      10.1182     -0.00000
     71      11.1004     -0.00000
     72      11.1887     -0.00000
     73      11.7622      0.00000
     74      12.0670      0.00000
     75      12.4190      0.00000
     76      12.7702      0.00000
     77      13.2890      0.00000
     78      13.6746      0.00000
     79      14.0654      0.00000
     80      14.4128      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3899      2.00000
      9      -0.0862      2.00000
     10       0.0693      2.00000
     11       0.1457      2.00000
     12       0.4130      2.00000
     13       0.5180      2.00000
     14       0.6048      2.00000
     15       0.7136      2.00000
     16       0.8505      2.00000
     17       0.9035      2.00000
     18       0.9134      2.00000
     19       1.0944      2.00000
     20       1.1500      2.00000
     21       1.1816      2.00000
     22       1.2459      2.00000
     23       1.3130      2.00000
     24       1.3978      2.00000
     25       1.4593      2.00000
     26       1.4911      2.00000
     27       1.5955      2.00000
     28       1.6660      2.00000
     29       1.7110      2.00000
     30       1.7293      2.00000
     31       1.8349      2.00000
     32       1.8773      2.00000
     33       1.9571      2.00000
     34       1.9801      2.00000
     35       2.0711      2.00000
     36       2.1192      2.00000
     37       2.2323      2.00000
     38       2.3004      2.00000
     39       2.3457      2.00000
     40       2.3867      2.00000
     41       2.4541      2.00000
     42       2.5114      2.00000
     43       2.5243      2.00000
     44       2.6248      2.00000
     45       2.6901      2.00000
     46       2.7273      2.00000
     47       2.7916      2.00000
     48       2.8435      2.00000
     49       2.8711      2.00000
     50       3.0679      2.00000
     51       3.1388      2.00000
     52       3.2687      2.00000
     53       3.3243      2.00000
     54       3.4792      2.00000
     55       3.5866      2.00000
     56       3.7297      2.00000
     57       4.4105      2.00000
     58       4.7738      2.00000
     59       5.1285      2.00000
     60       5.6598      2.02955
     61       5.9429      1.58918
     62       6.2109     -0.04198
     63       6.5162     -0.00242
     64       6.7284     -0.00001
     65       7.7432     -0.00000
     66       8.0506     -0.00000
     67       8.5150     -0.00000
     68       9.3082     -0.00000
     69       9.7459     -0.00000
     70      10.1742     -0.00000
     71      10.8612     -0.00000
     72      10.9734     -0.00000
     73      11.3724     -0.00000
     74      11.5901      0.00000
     75      12.1244      0.00000
     76      12.4584      0.00000
     77      13.1216      0.00000
     78      13.4212      0.00000
     79      14.0245      0.00000
     80      14.2827      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4410      2.00000
      9      -0.1542      2.00000
     10      -0.0396      2.00000
     11       0.1366      2.00000
     12       0.5482      2.00000
     13       0.6652      2.00000
     14       0.6999      2.00000
     15       0.7286      2.00000
     16       0.7962      2.00000
     17       0.8839      2.00000
     18       0.9529      2.00000
     19       1.0825      2.00000
     20       1.1028      2.00000
     21       1.1365      2.00000
     22       1.2611      2.00000
     23       1.3354      2.00000
     24       1.3662      2.00000
     25       1.3890      2.00000
     26       1.5419      2.00000
     27       1.5820      2.00000
     28       1.6659      2.00000
     29       1.7139      2.00000
     30       1.7608      2.00000
     31       1.8137      2.00000
     32       1.8565      2.00000
     33       1.9604      2.00000
     34       1.9993      2.00000
     35       2.0911      2.00000
     36       2.1594      2.00000
     37       2.2388      2.00000
     38       2.3251      2.00000
     39       2.3376      2.00000
     40       2.4473      2.00000
     41       2.4672      2.00000
     42       2.4938      2.00000
     43       2.5192      2.00000
     44       2.5635      2.00000
     45       2.5780      2.00000
     46       2.7217      2.00000
     47       2.7547      2.00000
     48       2.8120      2.00000
     49       2.8806      2.00000
     50       3.1249      2.00000
     51       3.1598      2.00000
     52       3.2870      2.00000
     53       3.5088      2.00000
     54       3.5709      2.00000
     55       3.6446      2.00000
     56       4.0663      2.00000
     57       4.4068      2.00000
     58       4.5132      2.00000
     59       5.0024      2.00000
     60       5.1481      2.00000
     61       5.8124      2.05567
     62       6.1434      0.13672
     63       6.5093     -0.00281
     64       7.1525     -0.00000
     65       7.2541     -0.00000
     66       7.7671     -0.00000
     67       8.3291     -0.00000
     68       9.5517     -0.00000
     69       9.9800     -0.00000
     70      10.5749     -0.00000
     71      10.9984     -0.00000
     72      11.2516     -0.00000
     73      11.7926      0.00000
     74      12.0343      0.00000
     75      12.2617      0.00000
     76      12.8803      0.00000
     77      13.1441      0.00000
     78      13.3187      0.00000
     79      14.1389      0.00000
     80      14.3334      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.2074      2.00000
      9      -0.3452      2.00000
     10      -0.0776      2.00000
     11       0.1065      2.00000
     12       0.5483      2.00000
     13       0.5727      2.00000
     14       0.6393      2.00000
     15       0.7144      2.00000
     16       0.8450      2.00000
     17       0.8759      2.00000
     18       0.9445      2.00000
     19       1.0056      2.00000
     20       1.0827      2.00000
     21       1.1094      2.00000
     22       1.1718      2.00000
     23       1.2426      2.00000
     24       1.2600      2.00000
     25       1.3175      2.00000
     26       1.3834      2.00000
     27       1.3925      2.00000
     28       1.5491      2.00000
     29       1.6738      2.00000
     30       1.6997      2.00000
     31       1.8112      2.00000
     32       1.8826      2.00000
     33       1.9309      2.00000
     34       2.0052      2.00000
     35       2.0182      2.00000
     36       2.0557      2.00000
     37       2.1598      2.00000
     38       2.2017      2.00000
     39       2.3950      2.00000
     40       2.4386      2.00000
     41       2.4920      2.00000
     42       2.5389      2.00000
     43       2.6142      2.00000
     44       2.6576      2.00000
     45       2.7668      2.00000
     46       2.8528      2.00000
     47       2.8823      2.00000
     48       2.9204      2.00000
     49       3.0202      2.00000
     50       3.0526      2.00000
     51       3.1021      2.00000
     52       3.1893      2.00000
     53       3.2829      2.00000
     54       3.5239      2.00000
     55       3.6504      2.00000
     56       4.0011      2.00000
     57       4.3349      2.00000
     58       5.3191      2.00001
     59       5.4724      2.00079
     60       5.6665      2.03222
     61       5.8400      2.01927
     62       6.6320     -0.00013
     63       6.9536     -0.00000
     64       7.4539     -0.00000
     65       7.8325     -0.00000
     66       7.8975     -0.00000
     67       8.4502     -0.00000
     68       9.7031     -0.00000
     69       9.9856     -0.00000
     70      10.4219     -0.00000
     71      11.7469      0.00000
     72      12.2413      0.00000
     73      12.5618      0.00000
     74      12.8837      0.00000
     75      13.0882      0.00000
     76      13.3930      0.00000
     77      13.4527      0.00000
     78      13.5392      0.00000
     79      13.8893      0.00000
     80      14.1013      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.7425      2.00000
      9      -0.6713      2.00000
     10       0.0119      2.00000
     11       0.2330      2.00000
     12       0.3190      2.00000
     13       0.3458      2.00000
     14       0.4030      2.00000
     15       0.6267      2.00000
     16       0.6417      2.00000
     17       0.7176      2.00000
     18       0.8098      2.00000
     19       0.8754      2.00000
     20       0.9550      2.00000
     21       1.0175      2.00000
     22       1.0843      2.00000
     23       1.1522      2.00000
     24       1.2286      2.00000
     25       1.2593      2.00000
     26       1.3323      2.00000
     27       1.3989      2.00000
     28       1.4387      2.00000
     29       1.6046      2.00000
     30       1.6781      2.00000
     31       1.7219      2.00000
     32       1.8221      2.00000
     33       1.8748      2.00000
     34       1.9561      2.00000
     35       2.1282      2.00000
     36       2.1930      2.00000
     37       2.2540      2.00000
     38       2.3089      2.00000
     39       2.3955      2.00000
     40       2.5133      2.00000
     41       2.5364      2.00000
     42       2.6091      2.00000
     43       2.7197      2.00000
     44       2.7582      2.00000
     45       2.8019      2.00000
     46       2.8814      2.00000
     47       2.9628      2.00000
     48       2.9946      2.00000
     49       3.1183      2.00000
     50       3.1574      2.00000
     51       3.2077      2.00000
     52       3.2870      2.00000
     53       3.4314      2.00000
     54       3.6274      2.00000
     55       3.7767      2.00000
     56       3.9492      2.00000
     57       4.1570      2.00000
     58       4.5061      2.00000
     59       5.2801      2.00000
     60       6.0543      0.69852
     61       6.5858     -0.00045
     62       6.9913     -0.00000
     63       7.7932     -0.00000
     64       8.0664     -0.00000
     65       8.3327     -0.00000
     66       8.7169     -0.00000
     67       9.6846     -0.00000
     68      10.4552     -0.00000
     69      10.9083     -0.00000
     70      11.0315     -0.00000
     71      11.3039     -0.00000
     72      12.5032      0.00000
     73      12.8821      0.00000
     74      13.0338      0.00000
     75      13.1593      0.00000
     76      13.4998      0.00000
     77      13.5936      0.00000
     78      13.9439      0.00000
     79      14.3533      0.00000
     80      14.4765      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.8550      2.00000
      9      -0.9350      2.00000
     10       0.0393      2.00000
     11       0.1724      2.00000
     12       0.2061      2.00000
     13       0.2885      2.00000
     14       0.4239      2.00000
     15       0.5927      2.00000
     16       0.6103      2.00000
     17       0.6220      2.00000
     18       0.6884      2.00000
     19       0.7213      2.00000
     20       0.8404      2.00000
     21       0.9466      2.00000
     22       1.0883      2.00000
     23       1.1018      2.00000
     24       1.1985      2.00000
     25       1.2691      2.00000
     26       1.3513      2.00000
     27       1.3648      2.00000
     28       1.5469      2.00000
     29       1.6493      2.00000
     30       1.6916      2.00000
     31       1.7081      2.00000
     32       1.7992      2.00000
     33       1.8655      2.00000
     34       1.8961      2.00000
     35       2.1218      2.00000
     36       2.2147      2.00000
     37       2.2529      2.00000
     38       2.3833      2.00000
     39       2.4308      2.00000
     40       2.5220      2.00000
     41       2.5916      2.00000
     42       2.6202      2.00000
     43       2.6779      2.00000
     44       2.8443      2.00000
     45       2.8676      2.00000
     46       2.9837      2.00000
     47       3.0452      2.00000
     48       3.0534      2.00000
     49       3.1260      2.00000
     50       3.1879      2.00000
     51       3.2789      2.00000
     52       3.3104      2.00000
     53       3.5381      2.00000
     54       3.6474      2.00000
     55       3.9125      2.00000
     56       3.9400      2.00000
     57       4.2159      2.00000
     58       4.4100      2.00000
     59       4.9996      2.00000
     60       5.5952      2.01086
     61       6.2236     -0.05558
     62       7.7532     -0.00000
     63       8.1765     -0.00000
     64       8.6106     -0.00000
     65       8.6488     -0.00000
     66       9.7717     -0.00000
     67      10.3962     -0.00000
     68      10.5905     -0.00000
     69      10.8082     -0.00000
     70      11.2499     -0.00000
     71      11.7439      0.00000
     72      12.4658      0.00000
     73      12.7299      0.00000
     74      12.8276      0.00000
     75      13.1369      0.00000
     76      13.2395      0.00000
     77      13.6947      0.00000
     78      14.4266      0.00000
     79      14.4850      0.00000
     80      14.5538      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6542      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6538      2.00000
      9      -0.6537      2.00000
     10      -0.2068      2.00000
     11       0.2462      2.00000
     12       0.2927      2.00000
     13       0.4342      2.00000
     14       0.4377      2.00000
     15       0.5913      2.00000
     16       0.6329      2.00000
     17       0.7245      2.00000
     18       0.7810      2.00000
     19       0.8725      2.00000
     20       0.9376      2.00000
     21       0.9832      2.00000
     22       1.0792      2.00000
     23       1.1422      2.00000
     24       1.1777      2.00000
     25       1.2515      2.00000
     26       1.3616      2.00000
     27       1.3749      2.00000
     28       1.4940      2.00000
     29       1.6211      2.00000
     30       1.6427      2.00000
     31       1.7439      2.00000
     32       1.8733      2.00000
     33       1.8957      2.00000
     34       1.9967      2.00000
     35       2.0796      2.00000
     36       2.1783      2.00000
     37       2.2358      2.00000
     38       2.3189      2.00000
     39       2.3993      2.00000
     40       2.4737      2.00000
     41       2.5657      2.00000
     42       2.6311      2.00000
     43       2.7209      2.00000
     44       2.7625      2.00000
     45       2.8202      2.00000
     46       2.8526      2.00000
     47       2.9303      2.00000
     48       3.0203      2.00000
     49       3.0789      2.00000
     50       3.1356      2.00000
     51       3.2275      2.00000
     52       3.2580      2.00000
     53       3.5435      2.00000
     54       3.6692      2.00000
     55       3.7396      2.00000
     56       3.8125      2.00000
     57       4.0984      2.00000
     58       4.9347      2.00000
     59       5.0797      2.00000
     60       5.8197      2.04849
     61       6.8044     -0.00000
     62       7.1819     -0.00000
     63       7.7794     -0.00000
     64       8.6834     -0.00000
     65       8.9437     -0.00000
     66       9.1283     -0.00000
     67       9.4530     -0.00000
     68       9.6250     -0.00000
     69       9.7870     -0.00000
     70      10.9409     -0.00000
     71      11.5588      0.00000
     72      12.1297      0.00000
     73      12.3265      0.00000
     74      12.4747      0.00000
     75      13.1572      0.00000
     76      13.2972      0.00000
     77      13.6984      0.00000
     78      14.0740      0.00000
     79      14.3988      0.00000
     80      14.5333      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0739      2.00000
      9      -0.2666      2.00000
     10      -0.2118      2.00000
     11       0.2615      2.00000
     12       0.4252      2.00000
     13       0.5246      2.00000
     14       0.5596      2.00000
     15       0.6792      2.00000
     16       0.7906      2.00000
     17       0.8352      2.00000
     18       0.9131      2.00000
     19       1.0042      2.00000
     20       1.0931      2.00000
     21       1.1019      2.00000
     22       1.1466      2.00000
     23       1.1981      2.00000
     24       1.2281      2.00000
     25       1.2751      2.00000
     26       1.3559      2.00000
     27       1.4943      2.00000
     28       1.5803      2.00000
     29       1.6359      2.00000
     30       1.6621      2.00000
     31       1.8187      2.00000
     32       1.8380      2.00000
     33       1.9959      2.00000
     34       2.0056      2.00000
     35       2.0658      2.00000
     36       2.1681      2.00000
     37       2.2037      2.00000
     38       2.2471      2.00000
     39       2.2978      2.00000
     40       2.3737      2.00000
     41       2.5067      2.00000
     42       2.6268      2.00000
     43       2.6545      2.00000
     44       2.7182      2.00000
     45       2.7578      2.00000
     46       2.8033      2.00000
     47       2.8385      2.00000
     48       2.9304      2.00000
     49       2.9519      2.00000
     50       3.0934      2.00000
     51       3.1178      2.00000
     52       3.2074      2.00000
     53       3.4107      2.00000
     54       3.4948      2.00000
     55       3.5849      2.00000
     56       3.6845      2.00000
     57       4.4226      2.00000
     58       4.7927      2.00000
     59       5.4301      2.00026
     60       5.9926      1.21352
     61       6.6012     -0.00030
     62       6.9399     -0.00000
     63       7.0283     -0.00000
     64       7.3314     -0.00000
     65       8.2587     -0.00000
     66       8.5020     -0.00000
     67       8.8284     -0.00000
     68       9.3379     -0.00000
     69       9.9737     -0.00000
     70      10.1798     -0.00000
     71      10.3260     -0.00000
     72      11.0728     -0.00000
     73      11.7746      0.00000
     74      12.1332      0.00000
     75      12.3109      0.00000
     76      12.9667      0.00000
     77      13.7708      0.00000
     78      13.8270      0.00000
     79      14.0824      0.00000
     80      14.2226      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3642      2.00000
      9      -0.1422      2.00000
     10       0.0802      2.00000
     11       0.1468      2.00000
     12       0.4561      2.00000
     13       0.5655      2.00000
     14       0.6358      2.00000
     15       0.6878      2.00000
     16       0.7350      2.00000
     17       0.8930      2.00000
     18       0.9474      2.00000
     19       1.0627      2.00000
     20       1.1469      2.00000
     21       1.1780      2.00000
     22       1.2168      2.00000
     23       1.3221      2.00000
     24       1.3798      2.00000
     25       1.4699      2.00000
     26       1.5354      2.00000
     27       1.5656      2.00000
     28       1.6341      2.00000
     29       1.7124      2.00000
     30       1.7806      2.00000
     31       1.8471      2.00000
     32       1.9065      2.00000
     33       1.9407      2.00000
     34       2.0874      2.00000
     35       2.1452      2.00000
     36       2.1538      2.00000
     37       2.2499      2.00000
     38       2.2613      2.00000
     39       2.3331      2.00000
     40       2.3736      2.00000
     41       2.4172      2.00000
     42       2.5117      2.00000
     43       2.5612      2.00000
     44       2.5947      2.00000
     45       2.6155      2.00000
     46       2.6873      2.00000
     47       2.7695      2.00000
     48       2.7926      2.00000
     49       2.8760      2.00000
     50       3.0700      2.00000
     51       3.1271      2.00000
     52       3.1860      2.00000
     53       3.3648      2.00000
     54       3.5314      2.00000
     55       3.6264      2.00000
     56       3.8841      2.00000
     57       4.3684      2.00000
     58       4.7200      2.00000
     59       5.0972      2.00000
     60       5.6334      2.02034
     61       5.6904      2.04260
     62       6.1945     -0.01635
     63       6.6445     -0.00009
     64       7.0090     -0.00000
     65       7.5010     -0.00000
     66       7.8699     -0.00000
     67       8.9913     -0.00000
     68       9.5989     -0.00000
     69       9.8874     -0.00000
     70      10.0849     -0.00000
     71      10.4697     -0.00000
     72      10.7313     -0.00000
     73      11.0932     -0.00000
     74      11.6139      0.00000
     75      12.2450      0.00000
     76      12.9555      0.00000
     77      13.1797      0.00000
     78      13.9002      0.00000
     79      13.9180      0.00000
     80      14.0556      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4493      2.00000
      9      -0.1480      2.00000
     10      -0.0116      2.00000
     11       0.1319      2.00000
     12       0.5361      2.00000
     13       0.5740      2.00000
     14       0.6446      2.00000
     15       0.7557      2.00000
     16       0.8627      2.00000
     17       0.9506      2.00000
     18       0.9999      2.00000
     19       1.0504      2.00000
     20       1.1065      2.00000
     21       1.1679      2.00000
     22       1.2236      2.00000
     23       1.3150      2.00000
     24       1.3934      2.00000
     25       1.4704      2.00000
     26       1.5022      2.00000
     27       1.5470      2.00000
     28       1.5975      2.00000
     29       1.7146      2.00000
     30       1.7552      2.00000
     31       1.7941      2.00000
     32       1.8956      2.00000
     33       1.9568      2.00000
     34       1.9708      2.00000
     35       2.0535      2.00000
     36       2.1788      2.00000
     37       2.1910      2.00000
     38       2.2882      2.00000
     39       2.3278      2.00000
     40       2.3555      2.00000
     41       2.4731      2.00000
     42       2.4944      2.00000
     43       2.5833      2.00000
     44       2.6150      2.00000
     45       2.6765      2.00000
     46       2.7671      2.00000
     47       2.8005      2.00000
     48       2.8131      2.00000
     49       2.9000      2.00000
     50       3.1212      2.00000
     51       3.1758      2.00000
     52       3.2306      2.00000
     53       3.5149      2.00000
     54       3.5707      2.00000
     55       3.6830      2.00000
     56       3.8770      2.00000
     57       4.4418      2.00000
     58       4.5827      2.00000
     59       4.9744      2.00000
     60       5.4236      2.00022
     61       5.7562      2.06897
     62       5.8211      2.04691
     63       6.7128     -0.00001
     64       6.9900     -0.00000
     65       7.2848     -0.00000
     66       7.5099     -0.00000
     67       9.0246     -0.00000
     68       9.4070     -0.00000
     69      10.1076     -0.00000
     70      10.5165     -0.00000
     71      10.8585     -0.00000
     72      11.2150     -0.00000
     73      11.4065     -0.00000
     74      11.6782      0.00000
     75      12.0215      0.00000
     76      12.6500      0.00000
     77      13.4598      0.00000
     78      13.5594      0.00000
     79      14.0976      0.00000
     80      14.1461      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1359      2.00000
      9      -0.5381      2.00000
     10       0.1059      2.00000
     11       0.1285      2.00000
     12       0.5075      2.00000
     13       0.5846      2.00000
     14       0.6537      2.00000
     15       0.6894      2.00000
     16       0.7975      2.00000
     17       0.8207      2.00000
     18       0.8450      2.00000
     19       0.9369      2.00000
     20       1.0937      2.00000
     21       1.1345      2.00000
     22       1.1762      2.00000
     23       1.2039      2.00000
     24       1.3211      2.00000
     25       1.3616      2.00000
     26       1.4014      2.00000
     27       1.4425      2.00000
     28       1.5119      2.00000
     29       1.5697      2.00000
     30       1.6899      2.00000
     31       1.7352      2.00000
     32       1.8748      2.00000
     33       1.9172      2.00000
     34       1.9732      2.00000
     35       2.1180      2.00000
     36       2.1641      2.00000
     37       2.2402      2.00000
     38       2.2857      2.00000
     39       2.3503      2.00000
     40       2.4242      2.00000
     41       2.5136      2.00000
     42       2.5695      2.00000
     43       2.6581      2.00000
     44       2.6933      2.00000
     45       2.7636      2.00000
     46       2.8073      2.00000
     47       2.8510      2.00000
     48       2.9083      2.00000
     49       2.9602      2.00000
     50       3.0780      2.00000
     51       3.1202      2.00000
     52       3.2064      2.00000
     53       3.3480      2.00000
     54       3.5097      2.00000
     55       3.6997      2.00000
     56       4.1221      2.00000
     57       4.6041      2.00000
     58       4.9782      2.00000
     59       5.3627      2.00004
     60       5.6819      2.03877
     61       6.0242      0.94797
     62       6.2187     -0.05097
     63       6.7016     -0.00001
     64       7.1761     -0.00000
     65       7.6196     -0.00000
     66       8.7376     -0.00000
     67       8.9100     -0.00000
     68       9.3497     -0.00000
     69      10.4035     -0.00000
     70      10.6048     -0.00000
     71      11.0173     -0.00000
     72      11.6293      0.00000
     73      12.2244      0.00000
     74      12.4947      0.00000
     75      12.8212      0.00000
     76      13.3516      0.00000
     77      13.5911      0.00000
     78      14.0749      0.00000
     79      14.2362      0.00000
     80      14.4804      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.6568      2.00000
      9      -0.8913      2.00000
     10       0.1416      2.00000
     11       0.2632      2.00000
     12       0.3131      2.00000
     13       0.3213      2.00000
     14       0.3987      2.00000
     15       0.6240      2.00000
     16       0.6445      2.00000
     17       0.6636      2.00000
     18       0.7495      2.00000
     19       0.8538      2.00000
     20       0.9340      2.00000
     21       1.0556      2.00000
     22       1.1239      2.00000
     23       1.1783      2.00000
     24       1.2186      2.00000
     25       1.2728      2.00000
     26       1.3780      2.00000
     27       1.3905      2.00000
     28       1.4742      2.00000
     29       1.5902      2.00000
     30       1.6894      2.00000
     31       1.7402      2.00000
     32       1.8438      2.00000
     33       1.8531      2.00000
     34       2.0325      2.00000
     35       2.1573      2.00000
     36       2.1896      2.00000
     37       2.2295      2.00000
     38       2.2613      2.00000
     39       2.3670      2.00000
     40       2.4426      2.00000
     41       2.5145      2.00000
     42       2.6232      2.00000
     43       2.6512      2.00000
     44       2.7783      2.00000
     45       2.8284      2.00000
     46       2.8757      2.00000
     47       2.9528      2.00000
     48       2.9835      2.00000
     49       3.1140      2.00000
     50       3.1882      2.00000
     51       3.2042      2.00000
     52       3.2937      2.00000
     53       3.4759      2.00000
     54       3.7129      2.00000
     55       3.9378      2.00000
     56       3.9625      2.00000
     57       4.1965      2.00000
     58       4.6019      2.00000
     59       5.0556      2.00000
     60       5.6496      2.02571
     61       6.7370     -0.00000
     62       7.3354     -0.00000
     63       7.6618     -0.00000
     64       8.2641     -0.00000
     65       8.4695     -0.00000
     66       8.5698     -0.00000
     67       9.0086     -0.00000
     68       9.2289     -0.00000
     69      11.3342     -0.00000
     70      12.1197      0.00000
     71      12.4127      0.00000
     72      12.6512      0.00000
     73      12.8354      0.00000
     74      13.1027      0.00000
     75      13.2833      0.00000
     76      13.5442      0.00000
     77      13.7077      0.00000
     78      13.7798      0.00000
     79      13.8835      0.00000
     80      14.0678      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6547      2.00000
      5     -39.6541      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6588      2.00000
      9      -0.7779      2.00000
     10      -0.6033      2.00000
     11       0.0780      2.00000
     12       0.2644      2.00000
     13       0.3774      2.00000
     14       0.3930      2.00000
     15       0.5497      2.00000
     16       0.6300      2.00000
     17       0.7396      2.00000
     18       0.7420      2.00000
     19       0.8349      2.00000
     20       0.8884      2.00000
     21       0.9227      2.00000
     22       1.0469      2.00000
     23       1.1025      2.00000
     24       1.1325      2.00000
     25       1.2340      2.00000
     26       1.3251      2.00000
     27       1.3538      2.00000
     28       1.4882      2.00000
     29       1.6035      2.00000
     30       1.6146      2.00000
     31       1.7790      2.00000
     32       1.9011      2.00000
     33       1.9038      2.00000
     34       2.0899      2.00000
     35       2.1443      2.00000
     36       2.2245      2.00000
     37       2.3474      2.00000
     38       2.4369      2.00000
     39       2.4634      2.00000
     40       2.4709      2.00000
     41       2.5405      2.00000
     42       2.6171      2.00000
     43       2.6784      2.00000
     44       2.6843      2.00000
     45       2.8155      2.00000
     46       2.8738      2.00000
     47       2.9535      2.00000
     48       2.9764      2.00000
     49       3.1520      2.00000
     50       3.2292      2.00000
     51       3.3164      2.00000
     52       3.3373      2.00000
     53       3.4399      2.00000
     54       3.5300      2.00000
     55       3.7136      2.00000
     56       3.7490      2.00000
     57       3.9833      2.00000
     58       4.2010      2.00000
     59       5.8150      2.05324
     60       7.2652     -0.00000
     61       7.4178     -0.00000
     62       7.4624     -0.00000
     63       7.7568     -0.00000
     64       8.2334     -0.00000
     65       8.7263     -0.00000
     66       9.2638     -0.00000
     67       9.8802     -0.00000
     68      10.4847     -0.00000
     69      10.6535     -0.00000
     70      11.2212     -0.00000
     71      11.2602     -0.00000
     72      11.4255     -0.00000
     73      12.3977      0.00000
     74      12.9833      0.00000
     75      13.1368      0.00000
     76      13.1808      0.00000
     77      13.4080      0.00000
     78      13.8817      0.00000
     79      13.9045      0.00000
     80      14.5891      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3905      2.00000
      9      -0.7713      2.00000
     10      -0.4114      2.00000
     11       0.1186      2.00000
     12       0.1929      2.00000
     13       0.4713      2.00000
     14       0.5385      2.00000
     15       0.6256      2.00000
     16       0.6448      2.00000
     17       0.7463      2.00000
     18       0.7593      2.00000
     19       0.9174      2.00000
     20       0.9575      2.00000
     21       0.9906      2.00000
     22       0.9964      2.00000
     23       1.1016      2.00000
     24       1.1665      2.00000
     25       1.1893      2.00000
     26       1.3318      2.00000
     27       1.3522      2.00000
     28       1.5586      2.00000
     29       1.6156      2.00000
     30       1.7295      2.00000
     31       1.7663      2.00000
     32       1.8280      2.00000
     33       1.9608      2.00000
     34       2.0183      2.00000
     35       2.0479      2.00000
     36       2.1482      2.00000
     37       2.2760      2.00000
     38       2.2796      2.00000
     39       2.3612      2.00000
     40       2.5133      2.00000
     41       2.5541      2.00000
     42       2.6431      2.00000
     43       2.7071      2.00000
     44       2.7410      2.00000
     45       2.7981      2.00000
     46       2.8934      2.00000
     47       2.9211      2.00000
     48       3.0112      2.00000
     49       3.1060      2.00000
     50       3.1562      2.00000
     51       3.2179      2.00000
     52       3.3483      2.00000
     53       3.3715      2.00000
     54       3.5624      2.00000
     55       3.7818      2.00000
     56       3.8411      2.00000
     57       3.9853      2.00000
     58       4.2288      2.00000
     59       6.2104     -0.04143
     60       6.5041     -0.00314
     61       7.3880     -0.00000
     62       7.7851     -0.00000
     63       7.8865     -0.00000
     64       8.3509     -0.00000
     65       8.5539     -0.00000
     66       8.8059     -0.00000
     67       8.8310     -0.00000
     68       9.6414     -0.00000
     69      10.2092     -0.00000
     70      10.6291     -0.00000
     71      10.7675     -0.00000
     72      11.1142     -0.00000
     73      11.9450      0.00000
     74      12.2942      0.00000
     75      12.6537      0.00000
     76      13.1636      0.00000
     77      13.6196      0.00000
     78      13.9321      0.00000
     79      14.2710      0.00000
     80      14.6581      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9189      2.00000
      3     -39.7885      2.00000
      4     -39.6544      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5973      2.00000
      8      -0.9036      2.00000
      9      -0.3829      2.00000
     10      -0.0412      2.00000
     11       0.0625      2.00000
     12       0.4442      2.00000
     13       0.4979      2.00000
     14       0.5985      2.00000
     15       0.6950      2.00000
     16       0.7547      2.00000
     17       0.7591      2.00000
     18       0.8270      2.00000
     19       0.8896      2.00000
     20       1.0014      2.00000
     21       1.0378      2.00000
     22       1.1590      2.00000
     23       1.2358      2.00000
     24       1.2895      2.00000
     25       1.3770      2.00000
     26       1.4150      2.00000
     27       1.4922      2.00000
     28       1.6127      2.00000
     29       1.6567      2.00000
     30       1.7166      2.00000
     31       1.7866      2.00000
     32       1.8385      2.00000
     33       1.9246      2.00000
     34       1.9782      2.00000
     35       2.0315      2.00000
     36       2.0723      2.00000
     37       2.2166      2.00000
     38       2.2522      2.00000
     39       2.2892      2.00000
     40       2.4048      2.00000
     41       2.5530      2.00000
     42       2.6230      2.00000
     43       2.6330      2.00000
     44       2.7096      2.00000
     45       2.7380      2.00000
     46       2.8311      2.00000
     47       2.8675      2.00000
     48       2.9036      2.00000
     49       2.9348      2.00000
     50       3.0332      2.00000
     51       3.1333      2.00000
     52       3.3034      2.00000
     53       3.3416      2.00000
     54       3.4868      2.00000
     55       3.5697      2.00000
     56       3.7503      2.00000
     57       4.4142      2.00000
     58       5.2134      2.00000
     59       5.2886      2.00000
     60       5.9505      1.53709
     61       7.0535     -0.00000
     62       7.1837     -0.00000
     63       7.3394     -0.00000
     64       7.4429     -0.00000
     65       8.1660     -0.00000
     66       8.4074     -0.00000
     67       8.6194     -0.00000
     68       9.0590     -0.00000
     69       9.3265     -0.00000
     70       9.8232     -0.00000
     71      10.7615     -0.00000
     72      10.9696     -0.00000
     73      11.2688     -0.00000
     74      11.5992      0.00000
     75      12.5182      0.00000
     76      13.0831      0.00000
     77      13.4140      0.00000
     78      13.6675      0.00000
     79      13.9109      0.00000
     80      14.1174      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3881      2.00000
      9      -0.0753      2.00000
     10       0.1040      2.00000
     11       0.1594      2.00000
     12       0.4560      2.00000
     13       0.4948      2.00000
     14       0.5517      2.00000
     15       0.6727      2.00000
     16       0.7823      2.00000
     17       0.9112      2.00000
     18       0.9425      2.00000
     19       1.1123      2.00000
     20       1.1661      2.00000
     21       1.2158      2.00000
     22       1.2398      2.00000
     23       1.3282      2.00000
     24       1.4109      2.00000
     25       1.4421      2.00000
     26       1.4867      2.00000
     27       1.5609      2.00000
     28       1.6207      2.00000
     29       1.6619      2.00000
     30       1.7168      2.00000
     31       1.8275      2.00000
     32       1.9128      2.00000
     33       1.9614      2.00000
     34       2.0331      2.00000
     35       2.1053      2.00000
     36       2.1196      2.00000
     37       2.1984      2.00000
     38       2.2983      2.00000
     39       2.3116      2.00000
     40       2.3549      2.00000
     41       2.4677      2.00000
     42       2.5276      2.00000
     43       2.5538      2.00000
     44       2.6270      2.00000
     45       2.6970      2.00000
     46       2.7382      2.00000
     47       2.8107      2.00000
     48       2.8361      2.00000
     49       2.9498      2.00000
     50       3.0730      2.00000
     51       3.1812      2.00000
     52       3.2834      2.00000
     53       3.3409      2.00000
     54       3.4683      2.00000
     55       3.5876      2.00000
     56       3.7855      2.00000
     57       4.0860      2.00000
     58       4.2973      2.00000
     59       5.4651      2.00065
     60       5.8570      1.98267
     61       6.0218      0.96867
     62       6.3356     -0.04729
     63       6.7291     -0.00001
     64       7.1204     -0.00000
     65       7.6057     -0.00000
     66       8.0674     -0.00000
     67       8.3357     -0.00000
     68       8.9225     -0.00000
     69       9.4350     -0.00000
     70      10.2286     -0.00000
     71      10.4157     -0.00000
     72      10.5652     -0.00000
     73      11.3133     -0.00000
     74      11.8267      0.00000
     75      12.1618      0.00000
     76      12.9319      0.00000
     77      13.0097      0.00000
     78      13.6844      0.00000
     79      14.0057      0.00000
     80      14.6383      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4447      2.00000
      9      -0.1481      2.00000
     10       0.0496      2.00000
     11       0.1352      2.00000
     12       0.4967      2.00000
     13       0.5325      2.00000
     14       0.6320      2.00000
     15       0.7144      2.00000
     16       0.8973      2.00000
     17       0.9216      2.00000
     18       1.0346      2.00000
     19       1.0750      2.00000
     20       1.1374      2.00000
     21       1.1803      2.00000
     22       1.2559      2.00000
     23       1.2963      2.00000
     24       1.3921      2.00000
     25       1.4146      2.00000
     26       1.4573      2.00000
     27       1.5062      2.00000
     28       1.6573      2.00000
     29       1.6977      2.00000
     30       1.7423      2.00000
     31       1.7954      2.00000
     32       1.8727      2.00000
     33       1.9121      2.00000
     34       2.0061      2.00000
     35       2.0781      2.00000
     36       2.1849      2.00000
     37       2.2112      2.00000
     38       2.2819      2.00000
     39       2.3493      2.00000
     40       2.3697      2.00000
     41       2.4479      2.00000
     42       2.5042      2.00000
     43       2.5518      2.00000
     44       2.6534      2.00000
     45       2.6902      2.00000
     46       2.7412      2.00000
     47       2.8086      2.00000
     48       2.8831      2.00000
     49       2.9064      2.00000
     50       3.1091      2.00000
     51       3.1640      2.00000
     52       3.2510      2.00000
     53       3.4760      2.00000
     54       3.5630      2.00000
     55       3.6000      2.00000
     56       3.8952      2.00000
     57       4.3399      2.00000
     58       4.8534      2.00000
     59       5.0007      2.00000
     60       5.2091      2.00000
     61       5.6147      2.01515
     62       5.8110      2.05685
     63       6.7213     -0.00001
     64       7.1816     -0.00000
     65       7.6949     -0.00000
     66       7.8722     -0.00000
     67       8.7017     -0.00000
     68       9.4897     -0.00000
     69       9.9534     -0.00000
     70      10.1313     -0.00000
     71      10.4731     -0.00000
     72      10.5875     -0.00000
     73      11.1461     -0.00000
     74      11.8124      0.00000
     75      12.2336      0.00000
     76      12.7443      0.00000
     77      13.5879      0.00000
     78      14.0620      0.00000
     79      14.3257      0.00000
     80      14.4629      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0777      2.00000
      9      -0.3682      2.00000
     10      -0.1164      2.00000
     11       0.2729      2.00000
     12       0.4391      2.00000
     13       0.5119      2.00000
     14       0.5452      2.00000
     15       0.6822      2.00000
     16       0.7841      2.00000
     17       0.8426      2.00000
     18       0.9182      2.00000
     19       0.9503      2.00000
     20       1.0510      2.00000
     21       1.0825      2.00000
     22       1.1708      2.00000
     23       1.2193      2.00000
     24       1.2686      2.00000
     25       1.3212      2.00000
     26       1.4133      2.00000
     27       1.4533      2.00000
     28       1.5497      2.00000
     29       1.6109      2.00000
     30       1.7700      2.00000
     31       1.8187      2.00000
     32       1.8434      2.00000
     33       1.9669      2.00000
     34       1.9971      2.00000
     35       2.0529      2.00000
     36       2.1046      2.00000
     37       2.1343      2.00000
     38       2.2083      2.00000
     39       2.3283      2.00000
     40       2.4285      2.00000
     41       2.4691      2.00000
     42       2.6037      2.00000
     43       2.6478      2.00000
     44       2.6806      2.00000
     45       2.7868      2.00000
     46       2.8186      2.00000
     47       2.8703      2.00000
     48       2.9237      2.00000
     49       2.9758      2.00000
     50       3.0810      2.00000
     51       3.1285      2.00000
     52       3.2375      2.00000
     53       3.3187      2.00000
     54       3.4502      2.00000
     55       3.6237      2.00000
     56       4.0749      2.00000
     57       4.2768      2.00000
     58       5.1811      2.00000
     59       5.7433      2.06537
     60       5.9229      1.71289
     61       6.1149      0.27713
     62       6.5379     -0.00147
     63       6.7777     -0.00000
     64       7.2683     -0.00000
     65       7.6571     -0.00000
     66       8.3380     -0.00000
     67       9.3858     -0.00000
     68       9.5327     -0.00000
     69       9.9865     -0.00000
     70      10.1741     -0.00000
     71      11.3416     -0.00000
     72      11.4993      0.00000
     73      11.7675      0.00000
     74      11.9508      0.00000
     75      12.2739      0.00000
     76      12.7680      0.00000
     77      13.3529      0.00000
     78      13.6825      0.00000
     79      13.8334      0.00000
     80      14.2035      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6545      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.5538      2.00000
      9      -0.5544      2.00000
     10      -0.4655      2.00000
     11       0.2107      2.00000
     12       0.2375      2.00000
     13       0.4730      2.00000
     14       0.5261      2.00000
     15       0.5949      2.00000
     16       0.6335      2.00000
     17       0.6721      2.00000
     18       0.7966      2.00000
     19       0.9013      2.00000
     20       0.9464      2.00000
     21       0.9876      2.00000
     22       1.0139      2.00000
     23       1.1201      2.00000
     24       1.1597      2.00000
     25       1.2189      2.00000
     26       1.3856      2.00000
     27       1.4323      2.00000
     28       1.4870      2.00000
     29       1.5968      2.00000
     30       1.6395      2.00000
     31       1.7271      2.00000
     32       1.8693      2.00000
     33       1.8845      2.00000
     34       2.0150      2.00000
     35       2.1071      2.00000
     36       2.2023      2.00000
     37       2.2673      2.00000
     38       2.3440      2.00000
     39       2.3698      2.00000
     40       2.4401      2.00000
     41       2.5840      2.00000
     42       2.6772      2.00000
     43       2.7031      2.00000
     44       2.7348      2.00000
     45       2.8408      2.00000
     46       2.8644      2.00000
     47       2.8921      2.00000
     48       3.0552      2.00000
     49       3.0895      2.00000
     50       3.1646      2.00000
     51       3.2279      2.00000
     52       3.2341      2.00000
     53       3.5315      2.00000
     54       3.6141      2.00000
     55       3.6507      2.00000
     56       3.8466      2.00000
     57       3.9775      2.00000
     58       4.4782      2.00000
     59       5.6775      2.03686
     60       6.3604     -0.03606
     61       6.7042     -0.00001
     62       7.5072     -0.00000
     63       7.9753     -0.00000
     64       8.6845     -0.00000
     65       8.8771     -0.00000
     66       9.2115     -0.00000
     67       9.3721     -0.00000
     68       9.4733     -0.00000
     69       9.7856     -0.00000
     70      10.5187     -0.00000
     71      11.1846     -0.00000
     72      11.5393      0.00000
     73      12.0613      0.00000
     74      12.2439      0.00000
     75      13.0204      0.00000
     76      13.2470      0.00000
     77      13.2903      0.00000
     78      13.8516      0.00000
     79      14.5874      0.00000
     80      14.6671      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7890      2.00000
      4     -39.6547      2.00000
      5     -39.6540      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6095      2.00000
      9      -0.8271      2.00000
     10      -0.5717      2.00000
     11       0.0762      2.00000
     12       0.1510      2.00000
     13       0.3638      2.00000
     14       0.3909      2.00000
     15       0.5495      2.00000
     16       0.6411      2.00000
     17       0.7648      2.00000
     18       0.7898      2.00000
     19       0.8715      2.00000
     20       0.8753      2.00000
     21       0.9198      2.00000
     22       1.0155      2.00000
     23       1.0297      2.00000
     24       1.0754      2.00000
     25       1.2535      2.00000
     26       1.3093      2.00000
     27       1.3776      2.00000
     28       1.4757      2.00000
     29       1.6264      2.00000
     30       1.6705      2.00000
     31       1.7599      2.00000
     32       1.8343      2.00000
     33       1.9556      2.00000
     34       2.0137      2.00000
     35       2.1708      2.00000
     36       2.2024      2.00000
     37       2.3283      2.00000
     38       2.4244      2.00000
     39       2.4635      2.00000
     40       2.4699      2.00000
     41       2.5144      2.00000
     42       2.6298      2.00000
     43       2.6386      2.00000
     44       2.6562      2.00000
     45       2.8285      2.00000
     46       2.8382      2.00000
     47       2.9492      2.00000
     48       2.9514      2.00000
     49       2.9805      2.00000
     50       3.1912      2.00000
     51       3.2494      2.00000
     52       3.4581      2.00000
     53       3.5491      2.00000
     54       3.6519      2.00000
     55       3.9613      2.00000
     56       4.0656      2.00000
     57       4.2125      2.00000
     58       4.6007      2.00000
     59       5.8678      1.95304
     60       6.1214      0.24165
     61       6.6517     -0.00007
     62       7.3631     -0.00000
     63       7.9999     -0.00000
     64       8.2554     -0.00000
     65       8.6515     -0.00000
     66       9.1075     -0.00000
     67       9.1625     -0.00000
     68      10.9104     -0.00000
     69      11.4362     -0.00000
     70      11.6316      0.00000
     71      11.9453      0.00000
     72      12.3437      0.00000
     73      12.6224      0.00000
     74      13.1717      0.00000
     75      13.2054      0.00000
     76      13.3569      0.00000
     77      13.3991      0.00000
     78      13.8273      0.00000
     79      13.8481      0.00000
     80      14.0840      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6540      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3534      2.00000
      9      -0.6634      2.00000
     10      -0.5436      2.00000
     11       0.0564      2.00000
     12       0.1891      2.00000
     13       0.4670      2.00000
     14       0.5576      2.00000
     15       0.6245      2.00000
     16       0.6365      2.00000
     17       0.7488      2.00000
     18       0.7927      2.00000
     19       0.9112      2.00000
     20       0.9242      2.00000
     21       0.9529      2.00000
     22       0.9840      2.00000
     23       1.0973      2.00000
     24       1.1247      2.00000
     25       1.1780      2.00000
     26       1.3696      2.00000
     27       1.4297      2.00000
     28       1.5995      2.00000
     29       1.6137      2.00000
     30       1.6791      2.00000
     31       1.7219      2.00000
     32       1.7737      2.00000
     33       1.9341      2.00000
     34       2.0197      2.00000
     35       2.0769      2.00000
     36       2.1895      2.00000
     37       2.2116      2.00000
     38       2.2801      2.00000
     39       2.4564      2.00000
     40       2.4793      2.00000
     41       2.5376      2.00000
     42       2.6384      2.00000
     43       2.6825      2.00000
     44       2.7288      2.00000
     45       2.7483      2.00000
     46       2.8455      2.00000
     47       2.8887      2.00000
     48       2.9858      2.00000
     49       3.0664      2.00000
     50       3.1408      2.00000
     51       3.1583      2.00000
     52       3.3180      2.00000
     53       3.4385      2.00000
     54       3.5204      2.00000
     55       3.7632      2.00000
     56       3.8954      2.00000
     57       5.0236      2.00000
     58       5.1291      2.00000
     59       5.6079      2.01353
     60       6.0387      0.82664
     61       6.8572     -0.00000
     62       7.3556     -0.00000
     63       7.5105     -0.00000
     64       7.6962     -0.00000
     65       8.1157     -0.00000
     66       8.2652     -0.00000
     67       9.9435     -0.00000
     68      10.3733     -0.00000
     69      10.5465     -0.00000
     70      10.9985     -0.00000
     71      11.1592     -0.00000
     72      11.6628      0.00000
     73      12.3257      0.00000
     74      12.4655      0.00000
     75      12.9792      0.00000
     76      13.1660      0.00000
     77      13.6587      0.00000
     78      13.7927      0.00000
     79      14.0892      0.00000
     80      14.3562      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6544      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5974      2.00000
      8      -0.8954      2.00000
      9      -0.3649      2.00000
     10      -0.0529      2.00000
     11       0.0297      2.00000
     12       0.4720      2.00000
     13       0.4986      2.00000
     14       0.5818      2.00000
     15       0.7005      2.00000
     16       0.7347      2.00000
     17       0.7726      2.00000
     18       0.8302      2.00000
     19       0.8804      2.00000
     20       0.9990      2.00000
     21       1.0278      2.00000
     22       1.1370      2.00000
     23       1.2416      2.00000
     24       1.3375      2.00000
     25       1.3872      2.00000
     26       1.4605      2.00000
     27       1.5142      2.00000
     28       1.5570      2.00000
     29       1.5936      2.00000
     30       1.7502      2.00000
     31       1.8010      2.00000
     32       1.8721      2.00000
     33       1.9105      2.00000
     34       1.9660      2.00000
     35       2.0210      2.00000
     36       2.1283      2.00000
     37       2.1874      2.00000
     38       2.2273      2.00000
     39       2.2561      2.00000
     40       2.3273      2.00000
     41       2.5551      2.00000
     42       2.6094      2.00000
     43       2.6561      2.00000
     44       2.7235      2.00000
     45       2.7335      2.00000
     46       2.8463      2.00000
     47       2.8753      2.00000
     48       2.9146      2.00000
     49       2.9650      2.00000
     50       3.0456      2.00000
     51       3.1354      2.00000
     52       3.2747      2.00000
     53       3.3525      2.00000
     54       3.4139      2.00000
     55       3.5016      2.00000
     56       3.7136      2.00000
     57       4.6959      2.00000
     58       5.3834      2.00007
     59       5.6339      2.02047
     60       5.8392      2.02069
     61       6.6911     -0.00002
     62       6.9410     -0.00000
     63       7.1033     -0.00000
     64       7.2397     -0.00000
     65       8.4914     -0.00000
     66       8.5882     -0.00000
     67       8.7087     -0.00000
     68       8.9001     -0.00000
     69       9.2480     -0.00000
     70       9.6696     -0.00000
     71      10.8929     -0.00000
     72      11.0747     -0.00000
     73      11.2629     -0.00000
     74      11.7924      0.00000
     75      12.7495      0.00000
     76      13.0049      0.00000
     77      13.5216      0.00000
     78      13.7649      0.00000
     79      13.9948      0.00000
     80      14.4001      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3650      2.00000
      9      -0.1214      2.00000
     10       0.1015      2.00000
     11       0.1760      2.00000
     12       0.4640      2.00000
     13       0.5306      2.00000
     14       0.5892      2.00000
     15       0.6389      2.00000
     16       0.7458      2.00000
     17       0.9038      2.00000
     18       0.9495      2.00000
     19       1.0641      2.00000
     20       1.1529      2.00000
     21       1.1909      2.00000
     22       1.2450      2.00000
     23       1.3175      2.00000
     24       1.3948      2.00000
     25       1.4845      2.00000
     26       1.5099      2.00000
     27       1.5402      2.00000
     28       1.6247      2.00000
     29       1.7185      2.00000
     30       1.7391      2.00000
     31       1.8368      2.00000
     32       1.9065      2.00000
     33       1.9694      2.00000
     34       2.0405      2.00000
     35       2.1120      2.00000
     36       2.1738      2.00000
     37       2.2553      2.00000
     38       2.3055      2.00000
     39       2.3182      2.00000
     40       2.3816      2.00000
     41       2.4316      2.00000
     42       2.5189      2.00000
     43       2.5620      2.00000
     44       2.5818      2.00000
     45       2.6368      2.00000
     46       2.7037      2.00000
     47       2.7600      2.00000
     48       2.8039      2.00000
     49       2.9558      2.00000
     50       3.0457      2.00000
     51       3.1402      2.00000
     52       3.1805      2.00000
     53       3.3329      2.00000
     54       3.5336      2.00000
     55       3.5994      2.00000
     56       3.9550      2.00000
     57       4.1907      2.00000
     58       4.4137      2.00000
     59       5.2733      2.00000
     60       5.8312      2.03372
     61       5.9555      1.50182
     62       6.2610     -0.07088
     63       6.4669     -0.00672
     64       6.9959     -0.00000
     65       7.8659     -0.00000
     66       8.0314     -0.00000
     67       8.8211     -0.00000
     68       9.1415     -0.00000
     69       9.7233     -0.00000
     70       9.8549     -0.00000
     71      10.3705     -0.00000
     72      10.5783     -0.00000
     73      10.9605     -0.00000
     74      11.8510      0.00000
     75      12.4533      0.00000
     76      12.6205      0.00000
     77      13.3256      0.00000
     78      13.7215      0.00000
     79      14.3616      0.00000
     80      14.4527      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4371      2.00000
      9      -0.1381      2.00000
     10      -0.0153      2.00000
     11       0.1328      2.00000
     12       0.5477      2.00000
     13       0.5911      2.00000
     14       0.6471      2.00000
     15       0.7793      2.00000
     16       0.8041      2.00000
     17       0.9254      2.00000
     18       0.9670      2.00000
     19       1.0476      2.00000
     20       1.1095      2.00000
     21       1.1499      2.00000
     22       1.2421      2.00000
     23       1.3401      2.00000
     24       1.3866      2.00000
     25       1.4071      2.00000
     26       1.4907      2.00000
     27       1.5873      2.00000
     28       1.6692      2.00000
     29       1.7194      2.00000
     30       1.7682      2.00000
     31       1.8221      2.00000
     32       1.8871      2.00000
     33       1.8996      2.00000
     34       2.0039      2.00000
     35       2.1265      2.00000
     36       2.1813      2.00000
     37       2.2202      2.00000
     38       2.2452      2.00000
     39       2.3057      2.00000
     40       2.3946      2.00000
     41       2.4529      2.00000
     42       2.4905      2.00000
     43       2.5522      2.00000
     44       2.6208      2.00000
     45       2.6437      2.00000
     46       2.7266      2.00000
     47       2.7724      2.00000
     48       2.8238      2.00000
     49       2.8768      2.00000
     50       3.1340      2.00000
     51       3.1433      2.00000
     52       3.3441      2.00000
     53       3.4713      2.00000
     54       3.5757      2.00000
     55       3.6067      2.00000
     56       3.7747      2.00000
     57       4.3619      2.00000
     58       4.5598      2.00000
     59       5.1227      2.00000
     60       5.6179      2.01595
     61       5.7598      2.06967
     62       6.4036     -0.02006
     63       6.4960     -0.00374
     64       6.8327     -0.00000
     65       6.9973     -0.00000
     66       7.3780     -0.00000
     67       9.1056     -0.00000
     68       9.3479     -0.00000
     69      10.2420     -0.00000
     70      10.5560     -0.00000
     71      10.9148     -0.00000
     72      11.4105     -0.00000
     73      11.5610      0.00000
     74      11.8331      0.00000
     75      12.1758      0.00000
     76      12.6636      0.00000
     77      12.9318      0.00000
     78      13.0934      0.00000
     79      13.9062      0.00000
     80      14.2293      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9233      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.1058      2.00000
      9      -0.3081      2.00000
     10      -0.1696      2.00000
     11       0.2356      2.00000
     12       0.4824      2.00000
     13       0.5496      2.00000
     14       0.5778      2.00000
     15       0.6563      2.00000
     16       0.7734      2.00000
     17       0.8575      2.00000
     18       0.9305      2.00000
     19       1.0192      2.00000
     20       1.0920      2.00000
     21       1.1222      2.00000
     22       1.1665      2.00000
     23       1.1921      2.00000
     24       1.2201      2.00000
     25       1.2534      2.00000
     26       1.3562      2.00000
     27       1.4843      2.00000
     28       1.5495      2.00000
     29       1.6394      2.00000
     30       1.6860      2.00000
     31       1.7896      2.00000
     32       1.8396      2.00000
     33       1.9686      2.00000
     34       2.0381      2.00000
     35       2.1014      2.00000
     36       2.1626      2.00000
     37       2.2196      2.00000
     38       2.2418      2.00000
     39       2.3054      2.00000
     40       2.3385      2.00000
     41       2.5259      2.00000
     42       2.6183      2.00000
     43       2.6442      2.00000
     44       2.7192      2.00000
     45       2.7330      2.00000
     46       2.7778      2.00000
     47       2.8194      2.00000
     48       2.9409      2.00000
     49       2.9962      2.00000
     50       3.0649      2.00000
     51       3.1381      2.00000
     52       3.2041      2.00000
     53       3.4254      2.00000
     54       3.4647      2.00000
     55       3.5652      2.00000
     56       3.7170      2.00000
     57       4.5289      2.00000
     58       4.7854      2.00000
     59       5.4086      2.00014
     60       5.9588      1.47760
     61       6.4785     -0.00535
     62       6.8099     -0.00000
     63       7.0899     -0.00000
     64       7.3877     -0.00000
     65       8.0497     -0.00000
     66       8.6685     -0.00000
     67       8.7531     -0.00000
     68       9.3393     -0.00000
     69       9.8313     -0.00000
     70       9.9221     -0.00000
     71      10.6627     -0.00000
     72      11.1685     -0.00000
     73      11.8800      0.00000
     74      12.1918      0.00000
     75      12.6549      0.00000
     76      13.2276      0.00000
     77      13.9550      0.00000
     78      14.0429      0.00000
     79      14.3617      0.00000
     80      14.4091      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.5457      2.00000
      9      -0.6249      2.00000
     10      -0.3827      2.00000
     11       0.1917      2.00000
     12       0.2339      2.00000
     13       0.4364      2.00000
     14       0.5272      2.00000
     15       0.5859      2.00000
     16       0.6327      2.00000
     17       0.6913      2.00000
     18       0.8074      2.00000
     19       0.9150      2.00000
     20       0.9440      2.00000
     21       0.9829      2.00000
     22       1.0463      2.00000
     23       1.1317      2.00000
     24       1.1605      2.00000
     25       1.2498      2.00000
     26       1.2716      2.00000
     27       1.3831      2.00000
     28       1.5926      2.00000
     29       1.6430      2.00000
     30       1.7087      2.00000
     31       1.7591      2.00000
     32       1.8194      2.00000
     33       1.8665      2.00000
     34       1.9906      2.00000
     35       2.0316      2.00000
     36       2.1202      2.00000
     37       2.3064      2.00000
     38       2.3451      2.00000
     39       2.4458      2.00000
     40       2.5131      2.00000
     41       2.5247      2.00000
     42       2.6058      2.00000
     43       2.6730      2.00000
     44       2.7000      2.00000
     45       2.7926      2.00000
     46       2.8436      2.00000
     47       2.9028      2.00000
     48       3.0486      2.00000
     49       3.0925      2.00000
     50       3.2116      2.00000
     51       3.2277      2.00000
     52       3.2983      2.00000
     53       3.4016      2.00000
     54       3.5877      2.00000
     55       3.7930      2.00000
     56       3.8157      2.00000
     57       3.9739      2.00000
     58       4.7527      2.00000
     59       5.6583      2.02898
     60       6.5542     -0.00099
     61       6.8502     -0.00000
     62       7.4471     -0.00000
     63       7.8252     -0.00000
     64       7.8851     -0.00000
     65       8.4199     -0.00000
     66       9.0480     -0.00000
     67       9.2248     -0.00000
     68       9.9822     -0.00000
     69      10.4724     -0.00000
     70      10.7258     -0.00000
     71      11.1319     -0.00000
     72      11.4729     -0.00000
     73      12.1332      0.00000
     74      12.6598      0.00000
     75      13.0007      0.00000
     76      13.3568      0.00000
     77      13.4996      0.00000
     78      13.9014      0.00000
     79      14.3184      0.00000
     80      14.5352      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9247      2.00000
      2     -39.9176      2.00000
      3     -39.7889      2.00000
      4     -39.6547      2.00000
      5     -39.6540      2.00000
      6     -39.6094      2.00000
      7     -39.5945      2.00000
      8      -1.6035      2.00000
      9      -0.7831      2.00000
     10      -0.6565      2.00000
     11       0.0692      2.00000
     12       0.1947      2.00000
     13       0.3609      2.00000
     14       0.3876      2.00000
     15       0.5668      2.00000
     16       0.6144      2.00000
     17       0.7275      2.00000
     18       0.7874      2.00000
     19       0.8479      2.00000
     20       0.9098      2.00000
     21       0.9256      2.00000
     22       1.0655      2.00000
     23       1.1149      2.00000
     24       1.1519      2.00000
     25       1.2437      2.00000
     26       1.2594      2.00000
     27       1.2698      2.00000
     28       1.4701      2.00000
     29       1.6021      2.00000
     30       1.6178      2.00000
     31       1.7480      2.00000
     32       1.7890      2.00000
     33       1.9126      2.00000
     34       2.1247      2.00000
     35       2.1585      2.00000
     36       2.3442      2.00000
     37       2.3578      2.00000
     38       2.3914      2.00000
     39       2.4376      2.00000
     40       2.4692      2.00000
     41       2.5365      2.00000
     42       2.6329      2.00000
     43       2.6667      2.00000
     44       2.7282      2.00000
     45       2.7984      2.00000
     46       2.8480      2.00000
     47       2.8957      2.00000
     48       2.9426      2.00000
     49       3.0397      2.00000
     50       3.1742      2.00000
     51       3.2237      2.00000
     52       3.3973      2.00000
     53       3.5897      2.00000
     54       3.6400      2.00000
     55       3.9519      2.00000
     56       4.0602      2.00000
     57       4.2327      2.00000
     58       4.4592      2.00000
     59       5.6794      2.03767
     60       6.2405     -0.06638
     61       6.6932     -0.00002
     62       7.5151     -0.00000
     63       7.8822     -0.00000
     64       8.1417     -0.00000
     65       8.8065     -0.00000
     66       9.3741     -0.00000
     67       9.5900     -0.00000
     68      10.7343     -0.00000
     69      10.8979     -0.00000
     70      11.4729     -0.00000
     71      11.9778      0.00000
     72      12.0743      0.00000
     73      12.5086      0.00000
     74      12.8917      0.00000
     75      13.0054      0.00000
     76      13.2834      0.00000
     77      13.4350      0.00000
     78      13.8941      0.00000
     79      14.0563      0.00000
     80      14.3376      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5952      2.00000
      8      -1.3856      2.00000
      9      -0.7309      2.00000
     10      -0.4720      2.00000
     11       0.1217      2.00000
     12       0.1895      2.00000
     13       0.4799      2.00000
     14       0.5496      2.00000
     15       0.6320      2.00000
     16       0.6382      2.00000
     17       0.7501      2.00000
     18       0.7699      2.00000
     19       0.9295      2.00000
     20       0.9347      2.00000
     21       0.9529      2.00000
     22       0.9834      2.00000
     23       1.1193      2.00000
     24       1.1619      2.00000
     25       1.1827      2.00000
     26       1.3688      2.00000
     27       1.3802      2.00000
     28       1.5157      2.00000
     29       1.6175      2.00000
     30       1.6319      2.00000
     31       1.7944      2.00000
     32       1.8428      2.00000
     33       1.9608      2.00000
     34       1.9883      2.00000
     35       2.1634      2.00000
     36       2.2039      2.00000
     37       2.2220      2.00000
     38       2.2565      2.00000
     39       2.3061      2.00000
     40       2.5353      2.00000
     41       2.5748      2.00000
     42       2.6248      2.00000
     43       2.6964      2.00000
     44       2.7423      2.00000
     45       2.8143      2.00000
     46       2.8974      2.00000
     47       2.9571      2.00000
     48       3.0047      2.00000
     49       3.1134      2.00000
     50       3.1560      2.00000
     51       3.1943      2.00000
     52       3.3118      2.00000
     53       3.4019      2.00000
     54       3.5567      2.00000
     55       3.7428      2.00000
     56       3.9004      2.00000
     57       4.0337      2.00000
     58       4.2861      2.00000
     59       6.2346     -0.06342
     60       6.6620     -0.00005
     61       7.1168     -0.00000
     62       7.3112     -0.00000
     63       8.0045     -0.00000
     64       8.2314     -0.00000
     65       8.3851     -0.00000
     66       8.7903     -0.00000
     67       9.5566     -0.00000
     68       9.8245     -0.00000
     69      10.1318     -0.00000
     70      10.3409     -0.00000
     71      10.8604     -0.00000
     72      11.3360     -0.00000
     73      12.0531      0.00000
     74      12.2032      0.00000
     75      12.6326      0.00000
     76      13.1370      0.00000
     77      13.5483      0.00000
     78      13.7426      0.00000
     79      14.3170      0.00000
     80      14.6185      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6068      2.00000
      7     -39.5973      2.00000
      8      -0.9100      2.00000
      9      -0.4528      2.00000
     10       0.0460      2.00000
     11       0.0953      2.00000
     12       0.3983      2.00000
     13       0.4995      2.00000
     14       0.6481      2.00000
     15       0.6730      2.00000
     16       0.7392      2.00000
     17       0.7796      2.00000
     18       0.8196      2.00000
     19       0.9071      2.00000
     20       1.0197      2.00000
     21       1.0463      2.00000
     22       1.1231      2.00000
     23       1.2307      2.00000
     24       1.2716      2.00000
     25       1.2972      2.00000
     26       1.3779      2.00000
     27       1.4633      2.00000
     28       1.6734      2.00000
     29       1.6988      2.00000
     30       1.7857      2.00000
     31       1.8225      2.00000
     32       1.8546      2.00000
     33       1.9098      2.00000
     34       1.9715      2.00000
     35       2.0000      2.00000
     36       2.0286      2.00000
     37       2.2382      2.00000
     38       2.2955      2.00000
     39       2.3477      2.00000
     40       2.4819      2.00000
     41       2.5194      2.00000
     42       2.5716      2.00000
     43       2.6872      2.00000
     44       2.7083      2.00000
     45       2.7418      2.00000
     46       2.7607      2.00000
     47       2.8551      2.00000
     48       2.8807      2.00000
     49       2.9131      2.00000
     50       3.0727      2.00000
     51       3.1655      2.00000
     52       3.3300      2.00000
     53       3.3460      2.00000
     54       3.5861      2.00000
     55       3.7510      2.00000
     56       3.8223      2.00000
     57       4.0217      2.00000
     58       4.6256      2.00000
     59       4.8206      2.00000
     60       6.5738     -0.00061
     61       7.0529     -0.00000
     62       7.5066     -0.00000
     63       7.6233     -0.00000
     64       7.8438     -0.00000
     65       8.0307     -0.00000
     66       8.6832     -0.00000
     67       8.9088     -0.00000
     68       9.1859     -0.00000
     69       9.5745     -0.00000
     70       9.5986     -0.00000
     71       9.8018     -0.00000
     72      10.0884     -0.00000
     73      11.4926      0.00000
     74      11.8005      0.00000
     75      11.8790      0.00000
     76      12.9955      0.00000
     77      13.3882      0.00000
     78      13.9821      0.00000
     79      14.2157      0.00000
     80      14.5751      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3609      2.00000
      9      -0.1217      2.00000
     10       0.1065      2.00000
     11       0.1557      2.00000
     12       0.4169      2.00000
     13       0.5376      2.00000
     14       0.6094      2.00000
     15       0.6925      2.00000
     16       0.7705      2.00000
     17       0.8948      2.00000
     18       0.9368      2.00000
     19       1.0652      2.00000
     20       1.1191      2.00000
     21       1.1820      2.00000
     22       1.2134      2.00000
     23       1.3413      2.00000
     24       1.3939      2.00000
     25       1.4467      2.00000
     26       1.5064      2.00000
     27       1.6570      2.00000
     28       1.7004      2.00000
     29       1.7191      2.00000
     30       1.7381      2.00000
     31       1.8340      2.00000
     32       1.8729      2.00000
     33       1.9330      2.00000
     34       2.0083      2.00000
     35       2.1226      2.00000
     36       2.1617      2.00000
     37       2.2528      2.00000
     38       2.2778      2.00000
     39       2.3457      2.00000
     40       2.3955      2.00000
     41       2.4354      2.00000
     42       2.5275      2.00000
     43       2.5706      2.00000
     44       2.5935      2.00000
     45       2.6409      2.00000
     46       2.6793      2.00000
     47       2.7271      2.00000
     48       2.7919      2.00000
     49       2.8750      2.00000
     50       3.0754      2.00000
     51       3.1245      2.00000
     52       3.1773      2.00000
     53       3.2238      2.00000
     54       3.4875      2.00000
     55       3.5978      2.00000
     56       3.9582      2.00000
     57       4.6216      2.00000
     58       4.6998      2.00000
     59       5.1207      2.00000
     60       5.6446      2.02396
     61       5.7737      2.07091
     62       6.0872      0.45201
     63       6.3834     -0.02686
     64       6.9249     -0.00000
     65       7.6593     -0.00000
     66       8.4568     -0.00000
     67       9.0001     -0.00000
     68       9.3600     -0.00000
     69       9.4714     -0.00000
     70       9.8165     -0.00000
     71      10.6681     -0.00000
     72      11.0212     -0.00000
     73      11.3713     -0.00000
     74      11.7072      0.00000
     75      12.0774      0.00000
     76      12.4087      0.00000
     77      12.7581      0.00000
     78      13.6193      0.00000
     79      13.9668      0.00000
     80      14.1634      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9218      2.00000
      2     -39.9202      2.00000
      3     -39.7883      2.00000
      4     -39.6542      2.00000
      5     -39.6540      2.00000
      6     -39.6038      2.00000
      7     -39.6005      2.00000
      8      -0.4256      2.00000
      9      -0.1867      2.00000
     10       0.0409      2.00000
     11       0.1403      2.00000
     12       0.5291      2.00000
     13       0.5865      2.00000
     14       0.6790      2.00000
     15       0.7383      2.00000
     16       0.7960      2.00000
     17       0.8774      2.00000
     18       0.9532      2.00000
     19       1.0901      2.00000
     20       1.1084      2.00000
     21       1.1996      2.00000
     22       1.2733      2.00000
     23       1.2944      2.00000
     24       1.3641      2.00000
     25       1.4126      2.00000
     26       1.4655      2.00000
     27       1.5512      2.00000
     28       1.6668      2.00000
     29       1.7417      2.00000
     30       1.7724      2.00000
     31       1.8304      2.00000
     32       1.8482      2.00000
     33       1.9594      2.00000
     34       2.0586      2.00000
     35       2.0931      2.00000
     36       2.1311      2.00000
     37       2.2419      2.00000
     38       2.2784      2.00000
     39       2.2866      2.00000
     40       2.4365      2.00000
     41       2.4751      2.00000
     42       2.4765      2.00000
     43       2.5534      2.00000
     44       2.6240      2.00000
     45       2.6494      2.00000
     46       2.7037      2.00000
     47       2.7885      2.00000
     48       2.8034      2.00000
     49       2.8804      2.00000
     50       3.0904      2.00000
     51       3.1656      2.00000
     52       3.2500      2.00000
     53       3.4823      2.00000
     54       3.5613      2.00000
     55       3.6531      2.00000
     56       4.0597      2.00000
     57       4.5099      2.00000
     58       4.5612      2.00000
     59       4.8236      2.00000
     60       5.1699      2.00000
     61       5.6559      2.02803
     62       6.1371      0.16430
     63       6.4037     -0.02003
     64       7.5622     -0.00000
     65       7.7369     -0.00000
     66       8.0287     -0.00000
     67       8.4153     -0.00000
     68       8.9552     -0.00000
     69       9.6263     -0.00000
     70      10.2613     -0.00000
     71      10.3975     -0.00000
     72      11.2694     -0.00000
     73      11.6909      0.00000
     74      12.2893      0.00000
     75      12.4721      0.00000
     76      12.6268      0.00000
     77      13.3607      0.00000
     78      13.6102      0.00000
     79      14.1723      0.00000
     80      14.3132      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9232      2.00000
      2     -39.9188      2.00000
      3     -39.7885      2.00000
      4     -39.6543      2.00000
      5     -39.6541      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -1.0450      2.00000
      9      -0.4638      2.00000
     10      -0.0793      2.00000
     11       0.3277      2.00000
     12       0.4448      2.00000
     13       0.5154      2.00000
     14       0.5668      2.00000
     15       0.6454      2.00000
     16       0.7486      2.00000
     17       0.8182      2.00000
     18       0.9208      2.00000
     19       0.9913      2.00000
     20       1.0223      2.00000
     21       1.0949      2.00000
     22       1.1842      2.00000
     23       1.2087      2.00000
     24       1.3171      2.00000
     25       1.3382      2.00000
     26       1.3590      2.00000
     27       1.4392      2.00000
     28       1.5044      2.00000
     29       1.6017      2.00000
     30       1.7669      2.00000
     31       1.8410      2.00000
     32       1.8619      2.00000
     33       1.9298      2.00000
     34       1.9865      2.00000
     35       2.0415      2.00000
     36       2.1207      2.00000
     37       2.1930      2.00000
     38       2.2569      2.00000
     39       2.3283      2.00000
     40       2.4484      2.00000
     41       2.4922      2.00000
     42       2.5086      2.00000
     43       2.6496      2.00000
     44       2.6809      2.00000
     45       2.7615      2.00000
     46       2.8009      2.00000
     47       2.8499      2.00000
     48       2.9272      2.00000
     49       3.0219      2.00000
     50       3.0812      2.00000
     51       3.1486      2.00000
     52       3.2211      2.00000
     53       3.3246      2.00000
     54       3.4855      2.00000
     55       3.6494      2.00000
     56       3.8485      2.00000
     57       4.7570      2.00000
     58       5.2101      2.00000
     59       5.3383      2.00002
     60       5.5978      2.01138
     61       6.3412     -0.04469
     62       6.5421     -0.00133
     63       7.2858     -0.00000
     64       7.3916     -0.00000
     65       7.6603     -0.00000
     66       8.0586     -0.00000
     67       8.8546     -0.00000
     68       9.6491     -0.00000
     69       9.9761     -0.00000
     70      10.4956     -0.00000
     71      10.6812     -0.00000
     72      11.0097     -0.00000
     73      11.3040     -0.00000
     74      12.4671      0.00000
     75      13.0250      0.00000
     76      13.2995      0.00000
     77      13.5953      0.00000
     78      14.1279      0.00000
     79      14.2270      0.00000
     80      14.8606      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9243      2.00000
      2     -39.9179      2.00000
      3     -39.7888      2.00000
      4     -39.6546      2.00000
      5     -39.6541      2.00000
      6     -39.6087      2.00000
      7     -39.5953      2.00000
      8      -1.4835      2.00000
      9      -0.7353      2.00000
     10      -0.3588      2.00000
     11       0.1635      2.00000
     12       0.2213      2.00000
     13       0.4637      2.00000
     14       0.5337      2.00000
     15       0.6084      2.00000
     16       0.6336      2.00000
     17       0.6633      2.00000
     18       0.8230      2.00000
     19       0.8788      2.00000
     20       0.9360      2.00000
     21       0.9775      2.00000
     22       0.9956      2.00000
     23       1.1436      2.00000
     24       1.1818      2.00000
     25       1.2466      2.00000
     26       1.3208      2.00000
     27       1.4350      2.00000
     28       1.5484      2.00000
     29       1.5951      2.00000
     30       1.6153      2.00000
     31       1.6894      2.00000
     32       1.8951      2.00000
     33       1.9623      2.00000
     34       2.0184      2.00000
     35       2.0931      2.00000
     36       2.1913      2.00000
     37       2.2575      2.00000
     38       2.3315      2.00000
     39       2.3538      2.00000
     40       2.4525      2.00000
     41       2.4724      2.00000
     42       2.6317      2.00000
     43       2.6731      2.00000
     44       2.7526      2.00000
     45       2.7773      2.00000
     46       2.8283      2.00000
     47       2.9647      2.00000
     48       2.9855      2.00000
     49       3.1162      2.00000
     50       3.1490      2.00000
     51       3.1974      2.00000
     52       3.3057      2.00000
     53       3.3796      2.00000
     54       3.6108      2.00000
     55       3.7762      2.00000
     56       3.8320      2.00000
     57       4.6204      2.00000
     58       5.1301      2.00000
     59       5.6745      2.03558
     60       6.1388      0.15679
     61       6.4421     -0.01063
     62       6.9213     -0.00000
     63       7.2593     -0.00000
     64       7.9378     -0.00000
     65       8.8950     -0.00000
     66       8.9884     -0.00000
     67       9.2217     -0.00000
     68       9.9813     -0.00000
     69      10.0519     -0.00000
     70      11.7007      0.00000
     71      11.9074      0.00000
     72      12.1197      0.00000
     73      12.2363      0.00000
     74      12.4588      0.00000
     75      12.8847      0.00000
     76      13.2877      0.00000
     77      13.5664      0.00000
     78      13.8130      0.00000
     79      13.9550      0.00000
     80      14.4580      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.021   0.011   0.029   0.010   0.007  -1.168  -0.015  -0.024  -0.040  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.011   3.071  -0.270   0.020  -0.182  -0.015  -1.057   0.224  -0.011   0.145  -0.068   0.013  -0.002   0.171   0.008   0.000
  0.029  -0.270   2.652   0.008  -0.312  -0.024   0.224  -0.696  -0.018   0.230   0.083  -0.036  -0.111  -0.021  -0.004   0.006
  0.010   0.020   0.008   2.942   0.016  -0.040  -0.011  -0.018  -1.105  -0.007  -0.020   0.004   0.011   0.004  -0.021  -0.000
  0.007  -0.182  -0.312   0.016   3.076  -0.014   0.145   0.230  -0.007  -1.015  -0.141   0.067   0.046  -0.008   0.019   0.008
 -1.168  -0.015  -0.024  -0.040  -0.014   1.221   0.018   0.020   0.066   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.015  -1.057   0.224  -0.011   0.145   0.018   0.977  -0.181   0.003  -0.109   0.062  -0.015  -0.007  -0.137  -0.007   0.000
 -0.024   0.224  -0.696  -0.018   0.230   0.020  -0.181   0.677   0.026  -0.159  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.040  -0.011  -0.018  -1.105  -0.007   0.066   0.003   0.026   1.166   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.014   0.145   0.230  -0.007  -1.015   0.018  -0.109  -0.159   0.001   0.906   0.131  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.068   0.083  -0.020  -0.141  -0.016   0.062  -0.091   0.020   0.131   2.091  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.002  -0.111   0.011   0.046   0.011  -0.007   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.019  -0.289  -0.007   0.002   0.012  -0.015   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.71: real time    1.71
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.65: real time    6.66
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.16014   469.16014   469.16014
  Ewald   -2473.31867 -3170.89816 -2712.58704   -22.39190   -23.22913    12.06033
  Hartree   846.75552   347.70865   675.83882   -14.74304    -2.16978     7.64019
  E(xc)    -540.91079  -541.58509  -541.06437    -0.02715    -0.13383     0.01524
  Local    -591.14221   603.19610  -181.20512    36.60787    24.17457   -19.24292
  n-local  -102.91812   -99.69681  -101.64200     0.29780     0.70183    -0.26637
  augment   723.81429   723.28826   723.35492     0.04234     0.13325    -0.04681
  Kinetic  1668.53803  1668.82798  1668.13806     0.20001     0.49897    -0.16624
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.02181     0.00107    -0.00659    -0.01407    -0.02411    -0.00659
  in kB      -0.13571     0.00665    -0.04103    -0.08756    -0.15003    -0.04103
  external pressure =       -0.06 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.50
      direct lattice vectors                 reciprocal lattice vectors
     4.100209722 -0.100415979  0.142185751     0.243554748  0.100292363  0.080496196
    -3.908428318  8.752464097  0.920676612     0.002732361  0.115203624  0.002567299
    -2.321586599 -0.104372098  7.154389757    -0.005192006 -0.016818405  0.137844173

  length of vectors
     4.103903010  9.629594234  7.522363370     0.275421696  0.115264617  0.138963418


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.363E+01 -.157E+03 0.267E+02   0.380E+01 0.160E+03 -.270E+02   -.165E+00 -.283E+01 0.282E+00   0.155E-04 -.234E-05 -.673E-04
   0.364E+01 0.157E+03 -.267E+02   -.381E+01 -.160E+03 0.270E+02   0.164E+00 0.283E+01 -.282E+00   -.723E-05 0.190E-05 0.647E-04
   0.295E+01 0.145E+03 0.689E+01   -.305E+01 -.146E+03 -.672E+01   0.103E+00 0.129E+01 -.167E+00   -.333E-04 0.180E-03 -.396E-04
   -.483E-01 -.673E+02 -.416E+02   0.561E-01 0.669E+02 0.424E+02   -.754E-02 0.339E+00 -.839E+00   -.485E-04 -.588E-03 0.214E-03
   0.616E+01 0.969E+02 -.969E+02   -.622E+01 -.981E+02 0.983E+02   0.682E-01 0.126E+01 -.139E+01   -.299E-05 0.421E-03 -.508E-03
   0.134E-02 -.120E-01 0.659E-03   -.144E-02 0.118E-01 -.347E-03   0.591E-04 0.214E-03 -.455E-03   0.795E-06 0.568E-06 0.487E-05
   -.616E+01 -.969E+02 0.968E+02   0.623E+01 0.982E+02 -.982E+02   -.677E-01 -.126E+01 0.139E+01   -.103E-05 -.422E-03 0.516E-03
   -.295E+01 -.145E+03 -.687E+01   0.305E+01 0.146E+03 0.670E+01   -.103E+00 -.129E+01 0.167E+00   0.393E-04 -.177E-03 0.307E-04
   0.608E-01 0.672E+02 0.416E+02   -.685E-01 -.669E+02 -.424E+02   0.697E-02 -.337E+00 0.839E+00   0.636E-04 0.575E-03 -.216E-03
   0.208E-02 0.207E-01 -.798E-02   -.205E-02 -.206E-01 0.767E-02   0.119E-03 -.354E-03 0.380E-03   -.244E-06 -.132E-05 0.885E-07
   0.898E+00 0.969E+01 -.280E+02   -.904E+00 -.950E+01 0.279E+02   0.645E-02 -.191E+00 0.102E+00   0.676E-06 -.748E-04 -.789E-04
   -.912E+00 -.969E+01 0.280E+02   0.918E+00 0.950E+01 -.279E+02   -.610E-02 0.191E+00 -.103E+00   -.139E-05 0.760E-04 0.786E-04
   0.784E+00 -.883E+01 -.207E+02   -.741E+00 0.887E+01 0.205E+02   -.432E-01 -.477E-01 0.275E+00   -.385E-05 -.574E-04 0.638E-04
   -.165E+01 -.620E+02 0.411E+01   0.165E+01 0.619E+02 -.437E+01   0.444E-02 0.724E-01 0.254E+00   -.257E-04 -.953E-04 -.588E-05
   -.793E+00 0.886E+01 0.207E+02   0.750E+00 -.891E+01 -.205E+02   0.437E-01 0.470E-01 -.275E+00   0.372E-05 0.574E-04 -.630E-04
   0.166E+01 0.620E+02 -.410E+01   -.165E+01 -.619E+02 0.436E+01   -.448E-02 -.726E-01 -.254E+00   0.256E-04 0.953E-04 0.595E-05
 -----------------------------------------------------------------------------------------------
   -.205E-03 -.169E-03 -.278E-05   0.178E-13 -.711E-13 -.728E-13   0.176E-03 0.107E-02 0.452E-04   0.250E-04 -.117E-04 0.560E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06904      6.36345      7.89376         0.000771     -0.008028     -0.011300
     -2.90850      8.14940      4.53368        -0.000975      0.007980      0.011339
     -1.04455      1.16092      4.62072         0.002848      0.005397      0.009234
     -2.90082      5.24037      2.40811         0.000206     -0.001571     -0.004157
      1.19279      1.83247      0.30919         0.001128     -0.000487      0.005642
     -3.08470      2.93036      5.68236        -0.000039      0.000013     -0.000140
     -0.94044      4.03219      4.04318        -0.000902      0.000546     -0.005563
     -1.02460      4.59949      6.88595        -0.002922     -0.005351     -0.009246
      3.15323      0.62404      1.94412        -0.000645      0.002278      0.004358
     -5.03884      7.30677      6.14259         0.000154     -0.000376      0.000069
     -0.84786      3.63621      1.26316         0.000659     -0.001603     -0.001502
      1.10003      2.22853      3.08923        -0.000573      0.001656      0.001380
     -0.84801      6.70332      3.45796        -0.000607     -0.003690      0.001670
     -2.99455      5.52942      5.14735        -0.000788      0.004562     -0.004622
     -2.80814      7.91393      1.81512         0.000907      0.003478     -0.001802
      0.92536      0.23096      6.35936         0.000776     -0.004805      0.004637
 -----------------------------------------------------------------------------------
    total drift:                               -0.000005      0.000886      0.000043


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87751393 eV

  energy  without entropy=      -49.88262181  energy(sigma->0) =      -49.87921656
 
 d Force = 0.8400168E-04[ 0.733E-04, 0.947E-04]  d Energy = 0.1000914E-03-0.161E-04
 d Force =-0.1581764E+00[-0.159E+00,-0.157E+00]  d Ewald  =-0.8997568E+00 0.742E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000100  1 .order   -0.000101   -0.000119   -0.000084
  (g-gl).g = 0.423E-05      g.g   = 0.845E-04  gl.gl    = 0.457E-03
 g(Force)  = 0.667E-04   g(Stress)= 0.178E-04 ortho     =-0.372E-06
 gamma     =   0.00926
 trial     =   1.41335
 opt step  =   4.70029  (harmonic =   4.70029) maximal distance =0.00334342
 next E    =   -49.877612   (d E  =  -0.00020)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.76: real time    0.76
     LOOP+:  cpu time  125.98: real time  126.42


----------------------------------------- Iteration   10(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.61: real time   15.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.37: real time   17.42

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.6192399E-03  (-0.2365924E-01)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0784700 magnetization 

 Broyden mixing:
  rms(total) = 0.17652E-01    rms(broyden)= 0.17650E-01
  rms(prec ) = 0.24069E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1870.44183370
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.39090553
  PAW double counting   =      9485.85427274    -9413.80989042
  entropy T*S    EENTRO =         0.00492463
  eigenvalues    EBANDS =      -340.29169472
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87813320 eV

  energy without entropy =      -49.88305784  energy(sigma->0) =      -49.87977475


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.74: real time   17.79
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.48: real time   19.53

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.4316568E-03  (-0.4601301E-03)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0558682 magnetization 

 Broyden mixing:
  rms(total) = 0.76011E-02    rms(broyden)= 0.76009E-02
  rms(prec ) = 0.90541E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8288
  0.8288

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.57848202
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43646246
  PAW double counting   =      9485.67675664    -9413.60692050
  entropy T*S    EENTRO =         0.00495934
  eigenvalues    EBANDS =      -339.22566022
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87770155 eV

  energy without entropy =      -49.88266089  energy(sigma->0) =      -49.87935466


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   3)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.89: real time   19.94
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.65: real time   21.70

 eigenvalue-minimisations  :  9280
 total energy-change (2. order) : 0.5170917E-04  (-0.2227073E-04)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0542976 magnetization 

 Broyden mixing:
  rms(total) = 0.45062E-02    rms(broyden)= 0.45059E-02
  rms(prec ) = 0.52841E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4353
  0.9956  1.8751

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.57424319
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43837050
  PAW double counting   =      9485.37143289    -9413.30284383
  entropy T*S    EENTRO =         0.00493829
  eigenvalues    EBANDS =      -339.23048724
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87764984 eV

  energy without entropy =      -49.88258813  energy(sigma->0) =      -49.87929594


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.80: real time   17.87
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.55: real time   19.62

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.3375570E-04  (-0.5754548E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0537331 magnetization 

 Broyden mixing:
  rms(total) = 0.12299E-02    rms(broyden)= 0.12299E-02
  rms(prec ) = 0.13429E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3821
  2.1441  1.1459  0.8561

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60980412
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44302605
  PAW double counting   =      9484.38272671    -9412.31799380
  entropy T*S    EENTRO =         0.00492459
  eigenvalues    EBANDS =      -339.19567826
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87761608 eV

  energy without entropy =      -49.88254067  energy(sigma->0) =      -49.87925761


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.52: real time   19.57
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.30: real time   21.35

 eigenvalue-minimisations  :  9072
 total energy-change (2. order) : 0.1165057E-05  (-0.5764010E-06)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0540860 magnetization 

 Broyden mixing:
  rms(total) = 0.54006E-03    rms(broyden)= 0.54001E-03
  rms(prec ) = 0.56679E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3831
  2.0430  1.6961  0.9204  0.8729

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60528771
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44356379
  PAW double counting   =      9484.29122485    -9412.22890608
  entropy T*S    EENTRO =         0.00492312
  eigenvalues    EBANDS =      -339.19831564
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87761492 eV

  energy without entropy =      -49.88253804  energy(sigma->0) =      -49.87925596


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.83: real time   17.94
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.86: real time   18.05

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.4640060E-07  (-0.4712227E-07)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0540860 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       468.89279848
  Ewald energy   TEWEN  =     -8354.68719104
  -1/2 Hartree   DENC   =     -1871.60519323
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.44360608
  PAW double counting   =      9484.28720040    -9412.22636341
  entropy T*S    EENTRO =         0.00492400
  eigenvalues    EBANDS =      -339.19697146
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87761487 eV

  energy without entropy =      -49.88253887  energy(sigma->0) =      -49.87925620


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4626       2 -67.4627       3 -67.5504       4 -67.5127       5 -67.5418
       6 -67.6027       7 -67.5418       8 -67.5503       9 -67.5127      10 -58.8898
      11 -59.0164      12 -59.0164      13 -58.7059      14 -58.7548      15 -58.7059
      16 -58.7548
 
 
 
 E-fermi :   6.0120     XC(G=0): -10.7461     alpha+bet :-12.3586


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6614      2.00000
      5     -39.6611      2.00000
      6     -39.6182      2.00000
      7     -39.6035      2.00000
      8      -1.9468      2.00000
      9      -0.6527      2.00000
     10      -0.1301      2.00000
     11       0.1667      2.00000
     12       0.2571      2.00000
     13       0.2887      2.00000
     14       0.4333      2.00000
     15       0.5305      2.00000
     16       0.6034      2.00000
     17       0.6291      2.00000
     18       0.6663      2.00000
     19       0.7402      2.00000
     20       0.8907      2.00000
     21       0.9370      2.00000
     22       1.0483      2.00000
     23       1.0943      2.00000
     24       1.1839      2.00000
     25       1.2156      2.00000
     26       1.2799      2.00000
     27       1.3101      2.00000
     28       1.5766      2.00000
     29       1.6477      2.00000
     30       1.7057      2.00000
     31       1.7352      2.00000
     32       1.7856      2.00000
     33       1.9156      2.00000
     34       1.9343      2.00000
     35       2.1441      2.00000
     36       2.1697      2.00000
     37       2.2680      2.00000
     38       2.3072      2.00000
     39       2.4412      2.00000
     40       2.5281      2.00000
     41       2.5805      2.00000
     42       2.6334      2.00000
     43       2.7179      2.00000
     44       2.8609      2.00000
     45       2.8686      2.00000
     46       2.9007      2.00000
     47       2.9936      2.00000
     48       3.0366      2.00000
     49       3.0956      2.00000
     50       3.1262      2.00000
     51       3.3223      2.00000
     52       3.3776      2.00000
     53       3.4948      2.00000
     54       3.5781      2.00000
     55       3.8851      2.00000
     56       4.0657      2.00000
     57       4.2233      2.00000
     58       4.2262      2.00000
     59       4.9428      2.00000
     60       5.6143      2.01660
     61       6.2733     -0.06907
     62       8.1899     -0.00000
     63       8.2861     -0.00000
     64       8.3170     -0.00000
     65       8.9265     -0.00000
     66       9.6638     -0.00000
     67      10.3770     -0.00000
     68      10.7322     -0.00000
     69      11.4710     -0.00000
     70      11.7599      0.00000
     71      11.8162      0.00000
     72      12.0547      0.00000
     73      12.2623      0.00000
     74      12.3379      0.00000
     75      12.5044      0.00000
     76      12.7839      0.00000
     77      13.2878      0.00000
     78      13.6543      0.00000
     79      13.7835      0.00000
     80      14.6299      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.6744      2.00000
      9      -0.5753      2.00000
     10      -0.2761      2.00000
     11       0.2587      2.00000
     12       0.2763      2.00000
     13       0.3847      2.00000
     14       0.4617      2.00000
     15       0.5966      2.00000
     16       0.6099      2.00000
     17       0.7276      2.00000
     18       0.8209      2.00000
     19       0.9064      2.00000
     20       0.9326      2.00000
     21       0.9702      2.00000
     22       1.0965      2.00000
     23       1.1131      2.00000
     24       1.1937      2.00000
     25       1.2453      2.00000
     26       1.3471      2.00000
     27       1.3763      2.00000
     28       1.4914      2.00000
     29       1.6218      2.00000
     30       1.6594      2.00000
     31       1.7482      2.00000
     32       1.8167      2.00000
     33       1.8494      2.00000
     34       2.0056      2.00000
     35       2.0265      2.00000
     36       2.1661      2.00000
     37       2.2482      2.00000
     38       2.3548      2.00000
     39       2.4494      2.00000
     40       2.4975      2.00000
     41       2.5585      2.00000
     42       2.6016      2.00000
     43       2.6786      2.00000
     44       2.7291      2.00000
     45       2.7974      2.00000
     46       2.8153      2.00000
     47       2.9182      2.00000
     48       3.0461      2.00000
     49       3.1079      2.00000
     50       3.1901      2.00000
     51       3.2325      2.00000
     52       3.2663      2.00000
     53       3.4118      2.00000
     54       3.6106      2.00000
     55       3.7053      2.00000
     56       3.8424      2.00000
     57       4.0894      2.00000
     58       4.5770      2.00000
     59       5.5046      2.00196
     60       6.2718     -0.06937
     61       6.7874     -0.00000
     62       7.0949     -0.00000
     63       7.7080     -0.00000
     64       8.1619     -0.00000
     65       8.5768     -0.00000
     66       8.7137     -0.00000
     67       9.6315     -0.00000
     68      10.2872     -0.00000
     69      10.6072     -0.00000
     70      10.6556     -0.00000
     71      11.1225     -0.00000
     72      11.7144      0.00000
     73      12.5452      0.00000
     74      12.9356      0.00000
     75      13.2213      0.00000
     76      13.2860      0.00000
     77      13.4704      0.00000
     78      13.8537      0.00000
     79      14.4407      0.00000
     80      14.7061      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0339      2.00000
      9      -0.4154      2.00000
     10      -0.1283      2.00000
     11       0.3182      2.00000
     12       0.4190      2.00000
     13       0.4967      2.00000
     14       0.5832      2.00000
     15       0.6440      2.00000
     16       0.7314      2.00000
     17       0.8355      2.00000
     18       0.9125      2.00000
     19       0.9930      2.00000
     20       1.0381      2.00000
     21       1.0716      2.00000
     22       1.1713      2.00000
     23       1.2243      2.00000
     24       1.2772      2.00000
     25       1.3084      2.00000
     26       1.3555      2.00000
     27       1.4507      2.00000
     28       1.5491      2.00000
     29       1.6000      2.00000
     30       1.7215      2.00000
     31       1.8069      2.00000
     32       1.8541      2.00000
     33       1.9535      2.00000
     34       2.0105      2.00000
     35       2.1043      2.00000
     36       2.1184      2.00000
     37       2.1825      2.00000
     38       2.2471      2.00000
     39       2.3022      2.00000
     40       2.3963      2.00000
     41       2.4839      2.00000
     42       2.5322      2.00000
     43       2.6502      2.00000
     44       2.6879      2.00000
     45       2.7392      2.00000
     46       2.7894      2.00000
     47       2.8348      2.00000
     48       2.9211      2.00000
     49       3.0075      2.00000
     50       3.0938      2.00000
     51       3.1371      2.00000
     52       3.2318      2.00000
     53       3.3574      2.00000
     54       3.4509      2.00000
     55       3.5738      2.00000
     56       3.8148      2.00000
     57       4.6083      2.00000
     58       5.0006      2.00000
     59       5.4400      2.00040
     60       5.7803      2.06944
     61       6.4744     -0.00514
     62       6.8304     -0.00000
     63       6.9782     -0.00000
     64       7.5221     -0.00000
     65       7.9877     -0.00000
     66       8.3356     -0.00000
     67       8.6855     -0.00000
     68       9.4155     -0.00000
     69       9.7960     -0.00000
     70      10.3473     -0.00000
     71      10.4668     -0.00000
     72      10.7821     -0.00000
     73      11.3999     -0.00000
     74      12.1781      0.00000
     75      13.1161      0.00000
     76      13.6788      0.00000
     77      13.7454      0.00000
     78      13.8735      0.00000
     79      14.2784      0.00000
     80      14.6818      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3923      2.00000
      9      -0.1118      2.00000
     10       0.0876      2.00000
     11       0.1612      2.00000
     12       0.4823      2.00000
     13       0.5056      2.00000
     14       0.5582      2.00000
     15       0.6316      2.00000
     16       0.8232      2.00000
     17       0.9155      2.00000
     18       0.9298      2.00000
     19       1.1086      2.00000
     20       1.1641      2.00000
     21       1.1797      2.00000
     22       1.2651      2.00000
     23       1.3668      2.00000
     24       1.3870      2.00000
     25       1.4035      2.00000
     26       1.4726      2.00000
     27       1.5125      2.00000
     28       1.6417      2.00000
     29       1.6795      2.00000
     30       1.7303      2.00000
     31       1.7980      2.00000
     32       1.9073      2.00000
     33       1.9498      2.00000
     34       2.0586      2.00000
     35       2.1411      2.00000
     36       2.1578      2.00000
     37       2.1794      2.00000
     38       2.2751      2.00000
     39       2.3105      2.00000
     40       2.3658      2.00000
     41       2.4588      2.00000
     42       2.4748      2.00000
     43       2.5445      2.00000
     44       2.6351      2.00000
     45       2.6680      2.00000
     46       2.7543      2.00000
     47       2.7967      2.00000
     48       2.8346      2.00000
     49       2.9175      2.00000
     50       3.0566      2.00000
     51       3.1576      2.00000
     52       3.2650      2.00000
     53       3.3594      2.00000
     54       3.5493      2.00000
     55       3.6348      2.00000
     56       3.8170      2.00000
     57       4.1419      2.00000
     58       4.2899      2.00000
     59       5.1293      2.00000
     60       5.8617      1.95322
     61       6.0459      0.71768
     62       6.1658      0.03661
     63       6.8110     -0.00000
     64       7.0713     -0.00000
     65       7.6624     -0.00000
     66       8.2133     -0.00000
     67       8.4793     -0.00000
     68       8.8248     -0.00000
     69       9.4764     -0.00000
     70       9.7653     -0.00000
     71      10.5185     -0.00000
     72      10.9589     -0.00000
     73      11.1321     -0.00000
     74      11.7742      0.00000
     75      12.2739      0.00000
     76      12.7530      0.00000
     77      13.4032      0.00000
     78      13.7686      0.00000
     79      13.9483      0.00000
     80      14.6373      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4469      2.00000
      9      -0.1817      2.00000
     10       0.0345      2.00000
     11       0.1351      2.00000
     12       0.5001      2.00000
     13       0.5240      2.00000
     14       0.7007      2.00000
     15       0.7384      2.00000
     16       0.8712      2.00000
     17       0.9106      2.00000
     18       0.9863      2.00000
     19       1.0635      2.00000
     20       1.0833      2.00000
     21       1.2371      2.00000
     22       1.2776      2.00000
     23       1.3249      2.00000
     24       1.3817      2.00000
     25       1.3903      2.00000
     26       1.4420      2.00000
     27       1.4891      2.00000
     28       1.6654      2.00000
     29       1.6981      2.00000
     30       1.7420      2.00000
     31       1.7994      2.00000
     32       1.8731      2.00000
     33       1.9018      2.00000
     34       2.0388      2.00000
     35       2.0770      2.00000
     36       2.1400      2.00000
     37       2.1570      2.00000
     38       2.2252      2.00000
     39       2.3336      2.00000
     40       2.4370      2.00000
     41       2.4591      2.00000
     42       2.5368      2.00000
     43       2.5790      2.00000
     44       2.6205      2.00000
     45       2.6732      2.00000
     46       2.7288      2.00000
     47       2.8027      2.00000
     48       2.8440      2.00000
     49       2.9048      2.00000
     50       3.0926      2.00000
     51       3.1758      2.00000
     52       3.2009      2.00000
     53       3.5129      2.00000
     54       3.5458      2.00000
     55       3.7377      2.00000
     56       4.1982      2.00000
     57       4.3870      2.00000
     58       4.5600      2.00000
     59       4.7171      2.00000
     60       5.1806      2.00000
     61       5.6095      2.01535
     62       6.0778      0.47544
     63       6.0960      0.35375
     64       7.0990     -0.00000
     65       8.2576     -0.00000
     66       8.3916     -0.00000
     67       8.8985     -0.00000
     68       9.1496     -0.00000
     69       9.2442     -0.00000
     70       9.9528     -0.00000
     71      10.4575     -0.00000
     72      10.5927     -0.00000
     73      11.3478     -0.00000
     74      11.9091      0.00000
     75      12.5678      0.00000
     76      13.1523      0.00000
     77      13.5110      0.00000
     78      13.8647      0.00000
     79      14.1200      0.00000
     80      14.4456      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.1645      2.00000
      9      -0.4831      2.00000
     10       0.0217      2.00000
     11       0.1458      2.00000
     12       0.5169      2.00000
     13       0.5852      2.00000
     14       0.6470      2.00000
     15       0.6850      2.00000
     16       0.8162      2.00000
     17       0.8325      2.00000
     18       0.8674      2.00000
     19       0.9553      2.00000
     20       1.0842      2.00000
     21       1.1267      2.00000
     22       1.1826      2.00000
     23       1.2062      2.00000
     24       1.3024      2.00000
     25       1.3354      2.00000
     26       1.3908      2.00000
     27       1.4405      2.00000
     28       1.4739      2.00000
     29       1.6342      2.00000
     30       1.7326      2.00000
     31       1.7567      2.00000
     32       1.8351      2.00000
     33       1.8966      2.00000
     34       1.9553      2.00000
     35       2.0522      2.00000
     36       2.1552      2.00000
     37       2.2196      2.00000
     38       2.2913      2.00000
     39       2.3561      2.00000
     40       2.4343      2.00000
     41       2.5131      2.00000
     42       2.5514      2.00000
     43       2.5991      2.00000
     44       2.6522      2.00000
     45       2.7637      2.00000
     46       2.7881      2.00000
     47       2.8715      2.00000
     48       2.8830      2.00000
     49       3.0405      2.00000
     50       3.0853      2.00000
     51       3.1312      2.00000
     52       3.2057      2.00000
     53       3.3155      2.00000
     54       3.5239      2.00000
     55       3.6933      2.00000
     56       4.0932      2.00000
     57       4.4497      2.00000
     58       4.8401      2.00000
     59       5.4895      2.00138
     60       5.6945      2.04730
     61       6.0761      0.48705
     62       6.3564     -0.03518
     63       6.9648     -0.00000
     64       7.1766     -0.00000
     65       7.5756     -0.00000
     66       8.2141     -0.00000
     67       8.9762     -0.00000
     68       9.2456     -0.00000
     69      10.2300     -0.00000
     70      11.0321     -0.00000
     71      11.3088     -0.00000
     72      11.6754      0.00000
     73      12.1132      0.00000
     74      12.3588      0.00000
     75      12.7807      0.00000
     76      13.4158      0.00000
     77      13.6221      0.00000
     78      13.8916      0.00000
     79      14.2820      0.00000
     80      14.4053      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7957      2.00000
      4     -39.6613      2.00000
      5     -39.6611      2.00000
      6     -39.6175      2.00000
      7     -39.6043      2.00000
      8      -1.7586      2.00000
      9      -0.6378      2.00000
     10       0.0387      2.00000
     11       0.1763      2.00000
     12       0.3256      2.00000
     13       0.3357      2.00000
     14       0.4012      2.00000
     15       0.6224      2.00000
     16       0.6416      2.00000
     17       0.7310      2.00000
     18       0.8099      2.00000
     19       0.8816      2.00000
     20       0.9051      2.00000
     21       1.0569      2.00000
     22       1.0627      2.00000
     23       1.1466      2.00000
     24       1.2145      2.00000
     25       1.2740      2.00000
     26       1.2979      2.00000
     27       1.3288      2.00000
     28       1.4578      2.00000
     29       1.6584      2.00000
     30       1.6766      2.00000
     31       1.7651      2.00000
     32       1.8245      2.00000
     33       1.8952      2.00000
     34       1.9192      2.00000
     35       2.0749      2.00000
     36       2.1498      2.00000
     37       2.2773      2.00000
     38       2.3273      2.00000
     39       2.3765      2.00000
     40       2.4806      2.00000
     41       2.5159      2.00000
     42       2.6125      2.00000
     43       2.7338      2.00000
     44       2.7903      2.00000
     45       2.8197      2.00000
     46       2.8660      2.00000
     47       2.9281      2.00000
     48       3.0179      2.00000
     49       3.0862      2.00000
     50       3.1188      2.00000
     51       3.2041      2.00000
     52       3.2601      2.00000
     53       3.4307      2.00000
     54       3.6718      2.00000
     55       3.7847      2.00000
     56       3.9409      2.00000
     57       4.1159      2.00000
     58       4.8521      2.00000
     59       5.0391      2.00000
     60       5.5547      2.00570
     61       6.7149     -0.00001
     62       7.1685     -0.00000
     63       7.7213     -0.00000
     64       8.2211     -0.00000
     65       8.6992     -0.00000
     66       8.9729     -0.00000
     67       9.3817     -0.00000
     68      10.1828     -0.00000
     69      10.7578     -0.00000
     70      10.8190     -0.00000
     71      11.4061     -0.00000
     72      12.4656      0.00000
     73      12.8882      0.00000
     74      13.0610      0.00000
     75      13.2614      0.00000
     76      13.4339      0.00000
     77      13.8026      0.00000
     78      13.8714      0.00000
     79      14.3011      0.00000
     80      14.4126      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6182      2.00000
      7     -39.6035      2.00000
      8      -1.8661      2.00000
      9      -0.9002      2.00000
     10      -0.0341      2.00000
     11       0.1600      2.00000
     12       0.2048      2.00000
     13       0.2906      2.00000
     14       0.4263      2.00000
     15       0.5786      2.00000
     16       0.6078      2.00000
     17       0.6188      2.00000
     18       0.6838      2.00000
     19       0.7700      2.00000
     20       0.8389      2.00000
     21       0.9305      2.00000
     22       1.0345      2.00000
     23       1.0741      2.00000
     24       1.2459      2.00000
     25       1.2954      2.00000
     26       1.3914      2.00000
     27       1.4156      2.00000
     28       1.5844      2.00000
     29       1.6035      2.00000
     30       1.6421      2.00000
     31       1.6972      2.00000
     32       1.7989      2.00000
     33       1.8801      2.00000
     34       1.9379      2.00000
     35       2.1603      2.00000
     36       2.2187      2.00000
     37       2.2237      2.00000
     38       2.2876      2.00000
     39       2.4371      2.00000
     40       2.4944      2.00000
     41       2.6137      2.00000
     42       2.6542      2.00000
     43       2.6630      2.00000
     44       2.8122      2.00000
     45       2.8334      2.00000
     46       2.8769      2.00000
     47       2.9008      2.00000
     48       3.0529      2.00000
     49       3.1021      2.00000
     50       3.1428      2.00000
     51       3.3144      2.00000
     52       3.3591      2.00000
     53       3.4506      2.00000
     54       3.6266      2.00000
     55       3.9494      2.00000
     56       4.2158      2.00000
     57       4.2250      2.00000
     58       4.3407      2.00000
     59       4.8867      2.00000
     60       6.2736     -0.06900
     61       6.4830     -0.00432
     62       6.9140     -0.00000
     63       7.1991     -0.00000
     64       8.8109     -0.00000
     65       9.5449     -0.00000
     66       9.7011     -0.00000
     67       9.8908     -0.00000
     68      10.9747     -0.00000
     69      11.1903     -0.00000
     70      11.2811     -0.00000
     71      11.4495     -0.00000
     72      12.3032      0.00000
     73      12.6839      0.00000
     74      13.1263      0.00000
     75      13.3890      0.00000
     76      13.5158      0.00000
     77      13.8121      0.00000
     78      13.9811      0.00000
     79      14.2625      0.00000
     80      14.5179      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5855      2.00000
      9      -0.8201      2.00000
     10      -0.1505      2.00000
     11       0.2225      2.00000
     12       0.2616      2.00000
     13       0.4199      2.00000
     14       0.4998      2.00000
     15       0.5722      2.00000
     16       0.6164      2.00000
     17       0.6835      2.00000
     18       0.7823      2.00000
     19       0.8826      2.00000
     20       0.9549      2.00000
     21       0.9792      2.00000
     22       1.0486      2.00000
     23       1.1508      2.00000
     24       1.2123      2.00000
     25       1.2898      2.00000
     26       1.3653      2.00000
     27       1.3961      2.00000
     28       1.5261      2.00000
     29       1.5584      2.00000
     30       1.6141      2.00000
     31       1.6656      2.00000
     32       1.8824      2.00000
     33       1.9616      2.00000
     34       2.0141      2.00000
     35       2.1535      2.00000
     36       2.1796      2.00000
     37       2.2609      2.00000
     38       2.3097      2.00000
     39       2.3572      2.00000
     40       2.3813      2.00000
     41       2.4412      2.00000
     42       2.6474      2.00000
     43       2.6640      2.00000
     44       2.7686      2.00000
     45       2.7852      2.00000
     46       2.8344      2.00000
     47       2.9765      2.00000
     48       3.0028      2.00000
     49       3.1102      2.00000
     50       3.1716      2.00000
     51       3.1814      2.00000
     52       3.3000      2.00000
     53       3.4505      2.00000
     54       3.6394      2.00000
     55       3.6943      2.00000
     56       3.8825      2.00000
     57       4.4295      2.00000
     58       4.8950      2.00000
     59       5.5367      2.00395
     60       5.8474      1.99131
     61       6.4996     -0.00304
     62       7.0322     -0.00000
     63       7.5165     -0.00000
     64       8.0613     -0.00000
     65       8.3088     -0.00000
     66       8.9131     -0.00000
     67       9.3944     -0.00000
     68       9.6609     -0.00000
     69      10.4531     -0.00000
     70      11.9954      0.00000
     71      12.2966      0.00000
     72      12.3864      0.00000
     73      12.5461      0.00000
     74      12.7137      0.00000
     75      12.8429      0.00000
     76      13.3103      0.00000
     77      13.5936      0.00000
     78      13.9101      0.00000
     79      13.9943      0.00000
     80      14.4089      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0296      2.00000
      9      -0.3886      2.00000
     10      -0.1373      2.00000
     11       0.3174      2.00000
     12       0.3949      2.00000
     13       0.4913      2.00000
     14       0.5294      2.00000
     15       0.6689      2.00000
     16       0.7755      2.00000
     17       0.8097      2.00000
     18       0.9288      2.00000
     19       0.9369      2.00000
     20       1.0218      2.00000
     21       1.0692      2.00000
     22       1.1596      2.00000
     23       1.2137      2.00000
     24       1.3019      2.00000
     25       1.3473      2.00000
     26       1.4073      2.00000
     27       1.4723      2.00000
     28       1.5424      2.00000
     29       1.6073      2.00000
     30       1.7462      2.00000
     31       1.8192      2.00000
     32       1.8806      2.00000
     33       1.9181      2.00000
     34       1.9825      2.00000
     35       2.0333      2.00000
     36       2.0759      2.00000
     37       2.1309      2.00000
     38       2.2084      2.00000
     39       2.3046      2.00000
     40       2.4578      2.00000
     41       2.4955      2.00000
     42       2.5577      2.00000
     43       2.6147      2.00000
     44       2.6751      2.00000
     45       2.7897      2.00000
     46       2.8169      2.00000
     47       2.8687      2.00000
     48       2.9169      2.00000
     49       2.9663      2.00000
     50       3.0766      2.00000
     51       3.1639      2.00000
     52       3.2412      2.00000
     53       3.2770      2.00000
     54       3.4634      2.00000
     55       3.6004      2.00000
     56       3.9998      2.00000
     57       4.4675      2.00000
     58       5.2502      2.00000
     59       5.6717      2.03696
     60       5.8933      1.83412
     61       6.2836     -0.06638
     62       6.5172     -0.00206
     63       6.6919     -0.00002
     64       7.4344     -0.00000
     65       7.6803     -0.00000
     66       8.0963     -0.00000
     67       9.1276     -0.00000
     68       9.8154     -0.00000
     69       9.9427     -0.00000
     70      10.1131     -0.00000
     71      11.0912     -0.00000
     72      11.1778     -0.00000
     73      11.7553      0.00000
     74      12.0603      0.00000
     75      12.4096      0.00000
     76      12.7599      0.00000
     77      13.2790      0.00000
     78      13.6619      0.00000
     79      14.0560      0.00000
     80      14.4028      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3929      2.00000
      9      -0.0893      2.00000
     10       0.0662      2.00000
     11       0.1426      2.00000
     12       0.4116      2.00000
     13       0.5143      2.00000
     14       0.6021      2.00000
     15       0.7105      2.00000
     16       0.8479      2.00000
     17       0.9002      2.00000
     18       0.9105      2.00000
     19       1.0907      2.00000
     20       1.1468      2.00000
     21       1.1785      2.00000
     22       1.2419      2.00000
     23       1.3101      2.00000
     24       1.3943      2.00000
     25       1.4558      2.00000
     26       1.4874      2.00000
     27       1.5914      2.00000
     28       1.6630      2.00000
     29       1.7063      2.00000
     30       1.7261      2.00000
     31       1.8309      2.00000
     32       1.8733      2.00000
     33       1.9541      2.00000
     34       1.9757      2.00000
     35       2.0667      2.00000
     36       2.1157      2.00000
     37       2.2279      2.00000
     38       2.2959      2.00000
     39       2.3421      2.00000
     40       2.3826      2.00000
     41       2.4501      2.00000
     42       2.5062      2.00000
     43       2.5202      2.00000
     44       2.6196      2.00000
     45       2.6854      2.00000
     46       2.7238      2.00000
     47       2.7871      2.00000
     48       2.8387      2.00000
     49       2.8659      2.00000
     50       3.0631      2.00000
     51       3.1339      2.00000
     52       3.2634      2.00000
     53       3.3197      2.00000
     54       3.4739      2.00000
     55       3.5807      2.00000
     56       3.7261      2.00000
     57       4.4062      2.00000
     58       4.7673      2.00000
     59       5.1204      2.00000
     60       5.6544      2.02980
     61       5.9369      1.58848
     62       6.2058     -0.04324
     63       6.5105     -0.00239
     64       6.7250     -0.00001
     65       7.7374     -0.00000
     66       8.0448     -0.00000
     67       8.5084     -0.00000
     68       9.2984     -0.00000
     69       9.7358     -0.00000
     70      10.1709     -0.00000
     71      10.8502     -0.00000
     72      10.9617     -0.00000
     73      11.3632     -0.00000
     74      11.5814      0.00000
     75      12.1189      0.00000
     76      12.4495      0.00000
     77      13.1092      0.00000
     78      13.4104      0.00000
     79      14.0093      0.00000
     80      14.2719      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4437      2.00000
      9      -0.1576      2.00000
     10      -0.0420      2.00000
     11       0.1337      2.00000
     12       0.5448      2.00000
     13       0.6624      2.00000
     14       0.6967      2.00000
     15       0.7255      2.00000
     16       0.7935      2.00000
     17       0.8806      2.00000
     18       0.9501      2.00000
     19       1.0789      2.00000
     20       1.1008      2.00000
     21       1.1329      2.00000
     22       1.2579      2.00000
     23       1.3314      2.00000
     24       1.3629      2.00000
     25       1.3860      2.00000
     26       1.5372      2.00000
     27       1.5786      2.00000
     28       1.6632      2.00000
     29       1.7102      2.00000
     30       1.7583      2.00000
     31       1.8102      2.00000
     32       1.8518      2.00000
     33       1.9561      2.00000
     34       1.9953      2.00000
     35       2.0871      2.00000
     36       2.1551      2.00000
     37       2.2344      2.00000
     38       2.3205      2.00000
     39       2.3333      2.00000
     40       2.4430      2.00000
     41       2.4625      2.00000
     42       2.4897      2.00000
     43       2.5146      2.00000
     44       2.5590      2.00000
     45       2.5742      2.00000
     46       2.7168      2.00000
     47       2.7510      2.00000
     48       2.8071      2.00000
     49       2.8754      2.00000
     50       3.1196      2.00000
     51       3.1550      2.00000
     52       3.2816      2.00000
     53       3.5034      2.00000
     54       3.5651      2.00000
     55       3.6392      2.00000
     56       4.0624      2.00000
     57       4.4027      2.00000
     58       4.5085      2.00000
     59       4.9994      2.00000
     60       5.1415      2.00000
     61       5.8073      2.05475
     62       6.1355      0.14449
     63       6.5020     -0.00288
     64       7.1470     -0.00000
     65       7.2501     -0.00000
     66       7.7595     -0.00000
     67       8.3197     -0.00000
     68       9.5417     -0.00000
     69       9.9729     -0.00000
     70      10.5693     -0.00000
     71      10.9925     -0.00000
     72      11.2458     -0.00000
     73      11.7847      0.00000
     74      12.0243      0.00000
     75      12.2507      0.00000
     76      12.8665      0.00000
     77      13.1333      0.00000
     78      13.3055      0.00000
     79      14.1274      0.00000
     80      14.3187      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.2104      2.00000
      9      -0.3476      2.00000
     10      -0.0804      2.00000
     11       0.1034      2.00000
     12       0.5453      2.00000
     13       0.5697      2.00000
     14       0.6349      2.00000
     15       0.7100      2.00000
     16       0.8412      2.00000
     17       0.8729      2.00000
     18       0.9413      2.00000
     19       1.0025      2.00000
     20       1.0794      2.00000
     21       1.1074      2.00000
     22       1.1690      2.00000
     23       1.2400      2.00000
     24       1.2578      2.00000
     25       1.3160      2.00000
     26       1.3807      2.00000
     27       1.3887      2.00000
     28       1.5452      2.00000
     29       1.6701      2.00000
     30       1.6954      2.00000
     31       1.8078      2.00000
     32       1.8791      2.00000
     33       1.9253      2.00000
     34       2.0002      2.00000
     35       2.0141      2.00000
     36       2.0505      2.00000
     37       2.1545      2.00000
     38       2.1984      2.00000
     39       2.3917      2.00000
     40       2.4333      2.00000
     41       2.4869      2.00000
     42       2.5341      2.00000
     43       2.6092      2.00000
     44       2.6536      2.00000
     45       2.7627      2.00000
     46       2.8486      2.00000
     47       2.8781      2.00000
     48       2.9154      2.00000
     49       3.0153      2.00000
     50       3.0480      2.00000
     51       3.0969      2.00000
     52       3.1839      2.00000
     53       3.2772      2.00000
     54       3.5199      2.00000
     55       3.6449      2.00000
     56       3.9955      2.00000
     57       4.3287      2.00000
     58       5.3163      2.00001
     59       5.4678      2.00082
     60       5.6606      2.03226
     61       5.8338      2.01965
     62       6.6261     -0.00013
     63       6.9479     -0.00000
     64       7.4457     -0.00000
     65       7.8244     -0.00000
     66       7.8906     -0.00000
     67       8.4469     -0.00000
     68       9.6971     -0.00000
     69       9.9780     -0.00000
     70      10.4097     -0.00000
     71      11.7403      0.00000
     72      12.2356      0.00000
     73      12.5482      0.00000
     74      12.8753      0.00000
     75      13.0783      0.00000
     76      13.3807      0.00000
     77      13.4447      0.00000
     78      13.5306      0.00000
     79      13.8749      0.00000
     80      14.0935      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7957      2.00000
      4     -39.6613      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6043      2.00000
      8      -1.7458      2.00000
      9      -0.6732      2.00000
     10       0.0091      2.00000
     11       0.2295      2.00000
     12       0.3155      2.00000
     13       0.3398      2.00000
     14       0.3998      2.00000
     15       0.6237      2.00000
     16       0.6374      2.00000
     17       0.7153      2.00000
     18       0.8077      2.00000
     19       0.8731      2.00000
     20       0.9530      2.00000
     21       1.0153      2.00000
     22       1.0817      2.00000
     23       1.1487      2.00000
     24       1.2251      2.00000
     25       1.2561      2.00000
     26       1.3296      2.00000
     27       1.3958      2.00000
     28       1.4349      2.00000
     29       1.6002      2.00000
     30       1.6751      2.00000
     31       1.7182      2.00000
     32       1.8177      2.00000
     33       1.8708      2.00000
     34       1.9512      2.00000
     35       2.1245      2.00000
     36       2.1884      2.00000
     37       2.2500      2.00000
     38       2.3035      2.00000
     39       2.3919      2.00000
     40       2.5080      2.00000
     41       2.5318      2.00000
     42       2.6043      2.00000
     43       2.7151      2.00000
     44       2.7533      2.00000
     45       2.7964      2.00000
     46       2.8771      2.00000
     47       2.9582      2.00000
     48       2.9902      2.00000
     49       3.1125      2.00000
     50       3.1519      2.00000
     51       3.2034      2.00000
     52       3.2811      2.00000
     53       3.4271      2.00000
     54       3.6231      2.00000
     55       3.7723      2.00000
     56       3.9440      2.00000
     57       4.1501      2.00000
     58       4.5017      2.00000
     59       5.2716      2.00000
     60       6.0487      0.69515
     61       6.5771     -0.00048
     62       6.9850     -0.00000
     63       7.7877     -0.00000
     64       8.0630     -0.00000
     65       8.3276     -0.00000
     66       8.7114     -0.00000
     67       9.6763     -0.00000
     68      10.4465     -0.00000
     69      10.9020     -0.00000
     70      11.0217     -0.00000
     71      11.2972     -0.00000
     72      12.4950      0.00000
     73      12.8727      0.00000
     74      13.0257      0.00000
     75      13.1533      0.00000
     76      13.4920      0.00000
     77      13.5817      0.00000
     78      13.9333      0.00000
     79      14.3436      0.00000
     80      14.4684      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6181      2.00000
      7     -39.6035      2.00000
      8      -1.8585      2.00000
      9      -0.9367      2.00000
     10       0.0359      2.00000
     11       0.1676      2.00000
     12       0.2018      2.00000
     13       0.2852      2.00000
     14       0.4194      2.00000
     15       0.5902      2.00000
     16       0.6077      2.00000
     17       0.6190      2.00000
     18       0.6862      2.00000
     19       0.7185      2.00000
     20       0.8378      2.00000
     21       0.9445      2.00000
     22       1.0838      2.00000
     23       1.0990      2.00000
     24       1.1963      2.00000
     25       1.2656      2.00000
     26       1.3481      2.00000
     27       1.3622      2.00000
     28       1.5445      2.00000
     29       1.6454      2.00000
     30       1.6873      2.00000
     31       1.7043      2.00000
     32       1.7947      2.00000
     33       1.8610      2.00000
     34       1.8914      2.00000
     35       2.1183      2.00000
     36       2.2113      2.00000
     37       2.2479      2.00000
     38       2.3797      2.00000
     39       2.4269      2.00000
     40       2.5195      2.00000
     41       2.5850      2.00000
     42       2.6149      2.00000
     43       2.6727      2.00000
     44       2.8401      2.00000
     45       2.8630      2.00000
     46       2.9783      2.00000
     47       3.0410      2.00000
     48       3.0481      2.00000
     49       3.1210      2.00000
     50       3.1820      2.00000
     51       3.2709      2.00000
     52       3.3072      2.00000
     53       3.5337      2.00000
     54       3.6415      2.00000
     55       3.9095      2.00000
     56       3.9337      2.00000
     57       4.2097      2.00000
     58       4.4019      2.00000
     59       4.9944      2.00000
     60       5.5918      2.01138
     61       6.2163     -0.05447
     62       7.7423     -0.00000
     63       8.1708     -0.00000
     64       8.6083     -0.00000
     65       8.6367     -0.00000
     66       9.7690     -0.00000
     67      10.3871     -0.00000
     68      10.5874     -0.00000
     69      10.8016     -0.00000
     70      11.2405     -0.00000
     71      11.7335      0.00000
     72      12.4591      0.00000
     73      12.7219      0.00000
     74      12.8188      0.00000
     75      13.1323      0.00000
     76      13.2365      0.00000
     77      13.6849      0.00000
     78      14.4155      0.00000
     79      14.4783      0.00000
     80      14.5451      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6613      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.6572      2.00000
      9      -0.6553      2.00000
     10      -0.2099      2.00000
     11       0.2423      2.00000
     12       0.2885      2.00000
     13       0.4310      2.00000
     14       0.4349      2.00000
     15       0.5870      2.00000
     16       0.6294      2.00000
     17       0.7216      2.00000
     18       0.7778      2.00000
     19       0.8703      2.00000
     20       0.9347      2.00000
     21       0.9800      2.00000
     22       1.0764      2.00000
     23       1.1396      2.00000
     24       1.1744      2.00000
     25       1.2488      2.00000
     26       1.3590      2.00000
     27       1.3718      2.00000
     28       1.4903      2.00000
     29       1.6170      2.00000
     30       1.6400      2.00000
     31       1.7394      2.00000
     32       1.8704      2.00000
     33       1.8912      2.00000
     34       1.9925      2.00000
     35       2.0744      2.00000
     36       2.1734      2.00000
     37       2.2322      2.00000
     38       2.3143      2.00000
     39       2.3962      2.00000
     40       2.4686      2.00000
     41       2.5602      2.00000
     42       2.6265      2.00000
     43       2.7160      2.00000
     44       2.7579      2.00000
     45       2.8149      2.00000
     46       2.8469      2.00000
     47       2.9252      2.00000
     48       3.0150      2.00000
     49       3.0740      2.00000
     50       3.1332      2.00000
     51       3.2213      2.00000
     52       3.2519      2.00000
     53       3.5393      2.00000
     54       3.6646      2.00000
     55       3.7350      2.00000
     56       3.8063      2.00000
     57       4.0919      2.00000
     58       4.9302      2.00000
     59       5.0726      2.00000
     60       5.8158      2.04609
     61       6.8009     -0.00000
     62       7.1752     -0.00000
     63       7.7687     -0.00000
     64       8.6778     -0.00000
     65       8.9356     -0.00000
     66       9.1218     -0.00000
     67       9.4476     -0.00000
     68       9.6148     -0.00000
     69       9.7817     -0.00000
     70      10.9277     -0.00000
     71      11.5541      0.00000
     72      12.1226      0.00000
     73      12.3185      0.00000
     74      12.4677      0.00000
     75      13.1503      0.00000
     76      13.2898      0.00000
     77      13.6872      0.00000
     78      14.0695      0.00000
     79      14.3900      0.00000
     80      14.5248      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -1.0772      2.00000
      9      -0.2697      2.00000
     10      -0.2139      2.00000
     11       0.2588      2.00000
     12       0.4229      2.00000
     13       0.5207      2.00000
     14       0.5561      2.00000
     15       0.6762      2.00000
     16       0.7868      2.00000
     17       0.8321      2.00000
     18       0.9096      2.00000
     19       1.0000      2.00000
     20       1.0896      2.00000
     21       1.0982      2.00000
     22       1.1437      2.00000
     23       1.1956      2.00000
     24       1.2257      2.00000
     25       1.2732      2.00000
     26       1.3541      2.00000
     27       1.4909      2.00000
     28       1.5764      2.00000
     29       1.6316      2.00000
     30       1.6585      2.00000
     31       1.8153      2.00000
     32       1.8342      2.00000
     33       1.9921      2.00000
     34       2.0001      2.00000
     35       2.0611      2.00000
     36       2.1648      2.00000
     37       2.2001      2.00000
     38       2.2412      2.00000
     39       2.2927      2.00000
     40       2.3680      2.00000
     41       2.5024      2.00000
     42       2.6225      2.00000
     43       2.6502      2.00000
     44       2.7141      2.00000
     45       2.7544      2.00000
     46       2.7981      2.00000
     47       2.8332      2.00000
     48       2.9258      2.00000
     49       2.9472      2.00000
     50       3.0888      2.00000
     51       3.1133      2.00000
     52       3.2024      2.00000
     53       3.4057      2.00000
     54       3.4889      2.00000
     55       3.5789      2.00000
     56       3.6792      2.00000
     57       4.4170      2.00000
     58       4.7887      2.00000
     59       5.4246      2.00026
     60       5.9861      1.21719
     61       6.5971     -0.00028
     62       6.9352     -0.00000
     63       7.0235     -0.00000
     64       7.3246     -0.00000
     65       8.2520     -0.00000
     66       8.4953     -0.00000
     67       8.8192     -0.00000
     68       9.3309     -0.00000
     69       9.9646     -0.00000
     70      10.1712     -0.00000
     71      10.3169     -0.00000
     72      11.0673     -0.00000
     73      11.7652      0.00000
     74      12.1237      0.00000
     75      12.2992      0.00000
     76      12.9590      0.00000
     77      13.7602      0.00000
     78      13.8125      0.00000
     79      14.0736      0.00000
     80      14.2113      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3674      2.00000
      9      -0.1449      2.00000
     10       0.0766      2.00000
     11       0.1443      2.00000
     12       0.4540      2.00000
     13       0.5618      2.00000
     14       0.6332      2.00000
     15       0.6849      2.00000
     16       0.7321      2.00000
     17       0.8895      2.00000
     18       0.9443      2.00000
     19       1.0604      2.00000
     20       1.1435      2.00000
     21       1.1746      2.00000
     22       1.2135      2.00000
     23       1.3189      2.00000
     24       1.3752      2.00000
     25       1.4670      2.00000
     26       1.5310      2.00000
     27       1.5611      2.00000
     28       1.6308      2.00000
     29       1.7088      2.00000
     30       1.7776      2.00000
     31       1.8436      2.00000
     32       1.9028      2.00000
     33       1.9367      2.00000
     34       2.0839      2.00000
     35       2.1422      2.00000
     36       2.1494      2.00000
     37       2.2454      2.00000
     38       2.2570      2.00000
     39       2.3290      2.00000
     40       2.3692      2.00000
     41       2.4124      2.00000
     42       2.5067      2.00000
     43       2.5567      2.00000
     44       2.5901      2.00000
     45       2.6102      2.00000
     46       2.6825      2.00000
     47       2.7664      2.00000
     48       2.7878      2.00000
     49       2.8711      2.00000
     50       3.0655      2.00000
     51       3.1230      2.00000
     52       3.1801      2.00000
     53       3.3596      2.00000
     54       3.5261      2.00000
     55       3.6206      2.00000
     56       3.8785      2.00000
     57       4.3628      2.00000
     58       4.7177      2.00000
     59       5.0918      2.00000
     60       5.6279      2.02049
     61       5.6840      2.04247
     62       6.1878     -0.01515
     63       6.6406     -0.00008
     64       7.0006     -0.00000
     65       7.4961     -0.00000
     66       7.8640     -0.00000
     67       8.9840     -0.00000
     68       9.5906     -0.00000
     69       9.8809     -0.00000
     70      10.0771     -0.00000
     71      10.4622     -0.00000
     72      10.7222     -0.00000
     73      11.0804     -0.00000
     74      11.6045      0.00000
     75      12.2363      0.00000
     76      12.9491      0.00000
     77      13.1656      0.00000
     78      13.8889      0.00000
     79      13.9059      0.00000
     80      14.0454      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9259      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6126      2.00000
      7     -39.6094      2.00000
      8      -0.4522      2.00000
      9      -0.1502      2.00000
     10      -0.0152      2.00000
     11       0.1286      2.00000
     12       0.5327      2.00000
     13       0.5712      2.00000
     14       0.6425      2.00000
     15       0.7529      2.00000
     16       0.8594      2.00000
     17       0.9481      2.00000
     18       0.9963      2.00000
     19       1.0474      2.00000
     20       1.1034      2.00000
     21       1.1640      2.00000
     22       1.2205      2.00000
     23       1.3110      2.00000
     24       1.3892      2.00000
     25       1.4679      2.00000
     26       1.4990      2.00000
     27       1.5436      2.00000
     28       1.5947      2.00000
     29       1.7109      2.00000
     30       1.7510      2.00000
     31       1.7902      2.00000
     32       1.8921      2.00000
     33       1.9529      2.00000
     34       1.9659      2.00000
     35       2.0493      2.00000
     36       2.1747      2.00000
     37       2.1867      2.00000
     38       2.2832      2.00000
     39       2.3231      2.00000
     40       2.3511      2.00000
     41       2.4701      2.00000
     42       2.4904      2.00000
     43       2.5796      2.00000
     44       2.6102      2.00000
     45       2.6721      2.00000
     46       2.7633      2.00000
     47       2.7960      2.00000
     48       2.8082      2.00000
     49       2.8946      2.00000
     50       3.1164      2.00000
     51       3.1702      2.00000
     52       3.2255      2.00000
     53       3.5098      2.00000
     54       3.5649      2.00000
     55       3.6786      2.00000
     56       3.8725      2.00000
     57       4.4376      2.00000
     58       4.5766      2.00000
     59       4.9694      2.00000
     60       5.4169      2.00021
     61       5.7478      2.06842
     62       5.8166      2.04513
     63       6.7066     -0.00001
     64       6.9842     -0.00000
     65       7.2823     -0.00000
     66       7.5044     -0.00000
     67       9.0166     -0.00000
     68       9.3960     -0.00000
     69      10.1002     -0.00000
     70      10.5094     -0.00000
     71      10.8516     -0.00000
     72      11.2037     -0.00000
     73      11.3951     -0.00000
     74      11.6716      0.00000
     75      12.0095      0.00000
     76      12.6410      0.00000
     77      13.4490      0.00000
     78      13.5527      0.00000
     79      14.0852      0.00000
     80      14.1367      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9291      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.1393      2.00000
      9      -0.5399      2.00000
     10       0.1028      2.00000
     11       0.1251      2.00000
     12       0.5043      2.00000
     13       0.5818      2.00000
     14       0.6494      2.00000
     15       0.6855      2.00000
     16       0.7949      2.00000
     17       0.8172      2.00000
     18       0.8418      2.00000
     19       0.9333      2.00000
     20       1.0915      2.00000
     21       1.1322      2.00000
     22       1.1734      2.00000
     23       1.2011      2.00000
     24       1.3168      2.00000
     25       1.3594      2.00000
     26       1.3986      2.00000
     27       1.4398      2.00000
     28       1.5079      2.00000
     29       1.5657      2.00000
     30       1.6867      2.00000
     31       1.7311      2.00000
     32       1.8705      2.00000
     33       1.9129      2.00000
     34       1.9678      2.00000
     35       2.1139      2.00000
     36       2.1594      2.00000
     37       2.2358      2.00000
     38       2.2809      2.00000
     39       2.3456      2.00000
     40       2.4195      2.00000
     41       2.5095      2.00000
     42       2.5650      2.00000
     43       2.6544      2.00000
     44       2.6884      2.00000
     45       2.7595      2.00000
     46       2.8025      2.00000
     47       2.8462      2.00000
     48       2.9041      2.00000
     49       2.9559      2.00000
     50       3.0732      2.00000
     51       3.1153      2.00000
     52       3.2013      2.00000
     53       3.3425      2.00000
     54       3.5045      2.00000
     55       3.6948      2.00000
     56       4.1160      2.00000
     57       4.5979      2.00000
     58       4.9738      2.00000
     59       5.3551      2.00003
     60       5.6781      2.03978
     61       6.0202      0.93087
     62       6.2123     -0.05053
     63       6.6954     -0.00002
     64       7.1688     -0.00000
     65       7.6134     -0.00000
     66       8.7332     -0.00000
     67       8.8996     -0.00000
     68       9.3470     -0.00000
     69      10.3945     -0.00000
     70      10.5984     -0.00000
     71      11.0075     -0.00000
     72      11.6160      0.00000
     73      12.2117      0.00000
     74      12.4877      0.00000
     75      12.8098      0.00000
     76      13.3444      0.00000
     77      13.5803      0.00000
     78      14.0657      0.00000
     79      14.2262      0.00000
     80      14.4686      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6174      2.00000
      7     -39.6043      2.00000
      8      -1.6603      2.00000
      9      -0.8931      2.00000
     10       0.1385      2.00000
     11       0.2581      2.00000
     12       0.3083      2.00000
     13       0.3186      2.00000
     14       0.3953      2.00000
     15       0.6199      2.00000
     16       0.6409      2.00000
     17       0.6615      2.00000
     18       0.7480      2.00000
     19       0.8511      2.00000
     20       0.9318      2.00000
     21       1.0535      2.00000
     22       1.1204      2.00000
     23       1.1758      2.00000
     24       1.2146      2.00000
     25       1.2704      2.00000
     26       1.3745      2.00000
     27       1.3877      2.00000
     28       1.4705      2.00000
     29       1.5872      2.00000
     30       1.6856      2.00000
     31       1.7357      2.00000
     32       1.8400      2.00000
     33       1.8479      2.00000
     34       2.0273      2.00000
     35       2.1524      2.00000
     36       2.1859      2.00000
     37       2.2256      2.00000
     38       2.2575      2.00000
     39       2.3638      2.00000
     40       2.4376      2.00000
     41       2.5092      2.00000
     42       2.6179      2.00000
     43       2.6480      2.00000
     44       2.7739      2.00000
     45       2.8230      2.00000
     46       2.8706      2.00000
     47       2.9472      2.00000
     48       2.9798      2.00000
     49       3.1087      2.00000
     50       3.1814      2.00000
     51       3.2009      2.00000
     52       3.2881      2.00000
     53       3.4716      2.00000
     54       3.7089      2.00000
     55       3.9323      2.00000
     56       3.9568      2.00000
     57       4.1899      2.00000
     58       4.5941      2.00000
     59       5.0489      2.00000
     60       5.6437      2.02576
     61       6.7339     -0.00000
     62       7.3312     -0.00000
     63       7.6554     -0.00000
     64       8.2577     -0.00000
     65       8.4654     -0.00000
     66       8.5598     -0.00000
     67       9.0002     -0.00000
     68       9.2198     -0.00000
     69      11.3261     -0.00000
     70      12.1161      0.00000
     71      12.4071      0.00000
     72      12.6445      0.00000
     73      12.8259      0.00000
     74      13.0883      0.00000
     75      13.2747      0.00000
     76      13.5358      0.00000
     77      13.6999      0.00000
     78      13.7707      0.00000
     79      13.8769      0.00000
     80      14.0554      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6610      2.00000
      6     -39.6182      2.00000
      7     -39.6034      2.00000
      8      -1.6627      2.00000
      9      -0.7797      2.00000
     10      -0.6048      2.00000
     11       0.0740      2.00000
     12       0.2593      2.00000
     13       0.3745      2.00000
     14       0.3882      2.00000
     15       0.5469      2.00000
     16       0.6270      2.00000
     17       0.7365      2.00000
     18       0.7379      2.00000
     19       0.8324      2.00000
     20       0.8857      2.00000
     21       0.9195      2.00000
     22       1.0441      2.00000
     23       1.1001      2.00000
     24       1.1295      2.00000
     25       1.2309      2.00000
     26       1.3212      2.00000
     27       1.3510      2.00000
     28       1.4831      2.00000
     29       1.5998      2.00000
     30       1.6115      2.00000
     31       1.7765      2.00000
     32       1.8979      2.00000
     33       1.9001      2.00000
     34       2.0860      2.00000
     35       2.1407      2.00000
     36       2.2194      2.00000
     37       2.3439      2.00000
     38       2.4329      2.00000
     39       2.4588      2.00000
     40       2.4655      2.00000
     41       2.5353      2.00000
     42       2.6126      2.00000
     43       2.6735      2.00000
     44       2.6804      2.00000
     45       2.8097      2.00000
     46       2.8669      2.00000
     47       2.9486      2.00000
     48       2.9718      2.00000
     49       3.1458      2.00000
     50       3.2244      2.00000
     51       3.3113      2.00000
     52       3.3323      2.00000
     53       3.4347      2.00000
     54       3.5257      2.00000
     55       3.7090      2.00000
     56       3.7439      2.00000
     57       3.9805      2.00000
     58       4.1944      2.00000
     59       5.8075      2.05458
     60       7.2569     -0.00000
     61       7.4159     -0.00000
     62       7.4546     -0.00000
     63       7.7477     -0.00000
     64       8.2277     -0.00000
     65       8.7167     -0.00000
     66       9.2550     -0.00000
     67       9.8729     -0.00000
     68      10.4729     -0.00000
     69      10.6485     -0.00000
     70      11.2096     -0.00000
     71      11.2539     -0.00000
     72      11.4202     -0.00000
     73      12.3945      0.00000
     74      12.9760      0.00000
     75      13.1344      0.00000
     76      13.1743      0.00000
     77      13.4020      0.00000
     78      13.8756      0.00000
     79      13.8955      0.00000
     80      14.5826      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3948      2.00000
      9      -0.7727      2.00000
     10      -0.4126      2.00000
     11       0.1135      2.00000
     12       0.1891      2.00000
     13       0.4687      2.00000
     14       0.5352      2.00000
     15       0.6221      2.00000
     16       0.6401      2.00000
     17       0.7423      2.00000
     18       0.7563      2.00000
     19       0.9149      2.00000
     20       0.9541      2.00000
     21       0.9877      2.00000
     22       0.9938      2.00000
     23       1.0987      2.00000
     24       1.1635      2.00000
     25       1.1866      2.00000
     26       1.3287      2.00000
     27       1.3502      2.00000
     28       1.5545      2.00000
     29       1.6117      2.00000
     30       1.7250      2.00000
     31       1.7626      2.00000
     32       1.8236      2.00000
     33       1.9578      2.00000
     34       2.0139      2.00000
     35       2.0438      2.00000
     36       2.1435      2.00000
     37       2.2732      2.00000
     38       2.2745      2.00000
     39       2.3560      2.00000
     40       2.5098      2.00000
     41       2.5491      2.00000
     42       2.6392      2.00000
     43       2.7022      2.00000
     44       2.7362      2.00000
     45       2.7928      2.00000
     46       2.8880      2.00000
     47       2.9160      2.00000
     48       3.0064      2.00000
     49       3.1002      2.00000
     50       3.1514      2.00000
     51       3.2140      2.00000
     52       3.3426      2.00000
     53       3.3656      2.00000
     54       3.5584      2.00000
     55       3.7768      2.00000
     56       3.8357      2.00000
     57       3.9801      2.00000
     58       4.2236      2.00000
     59       6.2066     -0.04420
     60       6.4977     -0.00317
     61       7.3796     -0.00000
     62       7.7739     -0.00000
     63       7.8804     -0.00000
     64       8.3431     -0.00000
     65       8.5483     -0.00000
     66       8.8005     -0.00000
     67       8.8269     -0.00000
     68       9.6338     -0.00000
     69      10.2007     -0.00000
     70      10.6208     -0.00000
     71      10.7611     -0.00000
     72      11.1033     -0.00000
     73      11.9361      0.00000
     74      12.2877      0.00000
     75      12.6453      0.00000
     76      13.1567      0.00000
     77      13.6082      0.00000
     78      13.9243      0.00000
     79      14.2631      0.00000
     80      14.6520      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.9078      2.00000
      9      -0.3842      2.00000
     10      -0.0432      2.00000
     11       0.0588      2.00000
     12       0.4414      2.00000
     13       0.4941      2.00000
     14       0.5954      2.00000
     15       0.6918      2.00000
     16       0.7519      2.00000
     17       0.7558      2.00000
     18       0.8235      2.00000
     19       0.8850      2.00000
     20       0.9986      2.00000
     21       1.0346      2.00000
     22       1.1554      2.00000
     23       1.2334      2.00000
     24       1.2866      2.00000
     25       1.3739      2.00000
     26       1.4134      2.00000
     27       1.4892      2.00000
     28       1.6080      2.00000
     29       1.6529      2.00000
     30       1.7129      2.00000
     31       1.7831      2.00000
     32       1.8339      2.00000
     33       1.9202      2.00000
     34       1.9753      2.00000
     35       2.0263      2.00000
     36       2.0674      2.00000
     37       2.2127      2.00000
     38       2.2486      2.00000
     39       2.2840      2.00000
     40       2.3999      2.00000
     41       2.5482      2.00000
     42       2.6179      2.00000
     43       2.6295      2.00000
     44       2.7042      2.00000
     45       2.7336      2.00000
     46       2.8269      2.00000
     47       2.8630      2.00000
     48       2.8996      2.00000
     49       2.9295      2.00000
     50       3.0284      2.00000
     51       3.1283      2.00000
     52       3.2988      2.00000
     53       3.3350      2.00000
     54       3.4810      2.00000
     55       3.5644      2.00000
     56       3.7450      2.00000
     57       4.4091      2.00000
     58       5.2112      2.00000
     59       5.2830      2.00000
     60       5.9464      1.52312
     61       7.0472     -0.00000
     62       7.1793     -0.00000
     63       7.3323     -0.00000
     64       7.4362     -0.00000
     65       8.1561     -0.00000
     66       8.3987     -0.00000
     67       8.6114     -0.00000
     68       9.0491     -0.00000
     69       9.3184     -0.00000
     70       9.8179     -0.00000
     71      10.7550     -0.00000
     72      10.9627     -0.00000
     73      11.2616     -0.00000
     74      11.5916      0.00000
     75      12.5058      0.00000
     76      13.0805      0.00000
     77      13.4025      0.00000
     78      13.6578      0.00000
     79      13.8985      0.00000
     80      14.1092      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3913      2.00000
      9      -0.0774      2.00000
     10       0.1000      2.00000
     11       0.1559      2.00000
     12       0.4539      2.00000
     13       0.4911      2.00000
     14       0.5490      2.00000
     15       0.6706      2.00000
     16       0.7801      2.00000
     17       0.9080      2.00000
     18       0.9394      2.00000
     19       1.1091      2.00000
     20       1.1631      2.00000
     21       1.2126      2.00000
     22       1.2352      2.00000
     23       1.3257      2.00000
     24       1.4077      2.00000
     25       1.4372      2.00000
     26       1.4827      2.00000
     27       1.5574      2.00000
     28       1.6171      2.00000
     29       1.6574      2.00000
     30       1.7142      2.00000
     31       1.8239      2.00000
     32       1.9084      2.00000
     33       1.9575      2.00000
     34       2.0292      2.00000
     35       2.1019      2.00000
     36       2.1152      2.00000
     37       2.1957      2.00000
     38       2.2937      2.00000
     39       2.3074      2.00000
     40       2.3506      2.00000
     41       2.4628      2.00000
     42       2.5240      2.00000
     43       2.5488      2.00000
     44       2.6219      2.00000
     45       2.6925      2.00000
     46       2.7333      2.00000
     47       2.8080      2.00000
     48       2.8311      2.00000
     49       2.9446      2.00000
     50       3.0676      2.00000
     51       3.1762      2.00000
     52       3.2789      2.00000
     53       3.3359      2.00000
     54       3.4625      2.00000
     55       3.5818      2.00000
     56       3.7810      2.00000
     57       4.0818      2.00000
     58       4.2909      2.00000
     59       5.4623      2.00071
     60       5.8525      1.97873
     61       6.0167      0.96025
     62       6.3286     -0.04772
     63       6.7205     -0.00001
     64       7.1166     -0.00000
     65       7.5982     -0.00000
     66       8.0592     -0.00000
     67       8.3269     -0.00000
     68       8.9136     -0.00000
     69       9.4262     -0.00000
     70      10.2235     -0.00000
     71      10.4071     -0.00000
     72      10.5565     -0.00000
     73      11.3050     -0.00000
     74      11.8171      0.00000
     75      12.1532      0.00000
     76      12.9267      0.00000
     77      13.0022      0.00000
     78      13.6724      0.00000
     79      13.9892      0.00000
     80      14.6284      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4476      2.00000
      9      -0.1508      2.00000
     10       0.0464      2.00000
     11       0.1316      2.00000
     12       0.4940      2.00000
     13       0.5294      2.00000
     14       0.6294      2.00000
     15       0.7118      2.00000
     16       0.8943      2.00000
     17       0.9184      2.00000
     18       1.0320      2.00000
     19       1.0722      2.00000
     20       1.1334      2.00000
     21       1.1779      2.00000
     22       1.2515      2.00000
     23       1.2925      2.00000
     24       1.3882      2.00000
     25       1.4103      2.00000
     26       1.4544      2.00000
     27       1.5025      2.00000
     28       1.6548      2.00000
     29       1.6938      2.00000
     30       1.7382      2.00000
     31       1.7915      2.00000
     32       1.8689      2.00000
     33       1.9089      2.00000
     34       2.0017      2.00000
     35       2.0740      2.00000
     36       2.1806      2.00000
     37       2.2068      2.00000
     38       2.2777      2.00000
     39       2.3453      2.00000
     40       2.3652      2.00000
     41       2.4446      2.00000
     42       2.5000      2.00000
     43       2.5474      2.00000
     44       2.6492      2.00000
     45       2.6849      2.00000
     46       2.7365      2.00000
     47       2.8058      2.00000
     48       2.8775      2.00000
     49       2.9007      2.00000
     50       3.1043      2.00000
     51       3.1590      2.00000
     52       3.2458      2.00000
     53       3.4706      2.00000
     54       3.5572      2.00000
     55       3.5958      2.00000
     56       3.8908      2.00000
     57       4.3354      2.00000
     58       4.8518      2.00000
     59       4.9957      2.00000
     60       5.2014      2.00000
     61       5.6088      2.01518
     62       5.8038      2.05778
     63       6.7135     -0.00001
     64       7.1736     -0.00000
     65       7.6869     -0.00000
     66       7.8686     -0.00000
     67       8.6953     -0.00000
     68       9.4862     -0.00000
     69       9.9460     -0.00000
     70      10.1185     -0.00000
     71      10.4618     -0.00000
     72      10.5799     -0.00000
     73      11.1361     -0.00000
     74      11.8034      0.00000
     75      12.2237      0.00000
     76      12.7364      0.00000
     77      13.5774      0.00000
     78      14.0534      0.00000
     79      14.3113      0.00000
     80      14.4555      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6064      2.00000
      8      -1.0811      2.00000
      9      -0.3709      2.00000
     10      -0.1180      2.00000
     11       0.2696      2.00000
     12       0.4352      2.00000
     13       0.5083      2.00000
     14       0.5414      2.00000
     15       0.6788      2.00000
     16       0.7816      2.00000
     17       0.8388      2.00000
     18       0.9155      2.00000
     19       0.9471      2.00000
     20       1.0476      2.00000
     21       1.0801      2.00000
     22       1.1682      2.00000
     23       1.2164      2.00000
     24       1.2657      2.00000
     25       1.3185      2.00000
     26       1.4102      2.00000
     27       1.4505      2.00000
     28       1.5465      2.00000
     29       1.6058      2.00000
     30       1.7664      2.00000
     31       1.8152      2.00000
     32       1.8408      2.00000
     33       1.9619      2.00000
     34       1.9919      2.00000
     35       2.0478      2.00000
     36       2.1007      2.00000
     37       2.1292      2.00000
     38       2.2026      2.00000
     39       2.3247      2.00000
     40       2.4235      2.00000
     41       2.4646      2.00000
     42       2.5996      2.00000
     43       2.6443      2.00000
     44       2.6768      2.00000
     45       2.7824      2.00000
     46       2.8130      2.00000
     47       2.8663      2.00000
     48       2.9188      2.00000
     49       2.9709      2.00000
     50       3.0765      2.00000
     51       3.1234      2.00000
     52       3.2322      2.00000
     53       3.3140      2.00000
     54       3.4445      2.00000
     55       3.6186      2.00000
     56       4.0693      2.00000
     57       4.2706      2.00000
     58       5.1761      2.00000
     59       5.7402      2.06631
     60       5.9189      1.70125
     61       6.1076      0.28433
     62       6.5331     -0.00143
     63       6.7716     -0.00000
     64       7.2628     -0.00000
     65       7.6506     -0.00000
     66       8.3294     -0.00000
     67       9.3752     -0.00000
     68       9.5223     -0.00000
     69       9.9777     -0.00000
     70      10.1668     -0.00000
     71      11.3323     -0.00000
     72      11.4898      0.00000
     73      11.7594      0.00000
     74      11.9429      0.00000
     75      12.2713      0.00000
     76      12.7587      0.00000
     77      13.3458      0.00000
     78      13.6742      0.00000
     79      13.8218      0.00000
     80      14.1960      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6610      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5575      2.00000
      9      -0.5563      2.00000
     10      -0.4672      2.00000
     11       0.2069      2.00000
     12       0.2322      2.00000
     13       0.4695      2.00000
     14       0.5223      2.00000
     15       0.5913      2.00000
     16       0.6302      2.00000
     17       0.6687      2.00000
     18       0.7937      2.00000
     19       0.8987      2.00000
     20       0.9436      2.00000
     21       0.9849      2.00000
     22       1.0110      2.00000
     23       1.1170      2.00000
     24       1.1574      2.00000
     25       1.2166      2.00000
     26       1.3833      2.00000
     27       1.4289      2.00000
     28       1.4827      2.00000
     29       1.5923      2.00000
     30       1.6361      2.00000
     31       1.7227      2.00000
     32       1.8653      2.00000
     33       1.8819      2.00000
     34       2.0107      2.00000
     35       2.1021      2.00000
     36       2.1989      2.00000
     37       2.2623      2.00000
     38       2.3394      2.00000
     39       2.3654      2.00000
     40       2.4345      2.00000
     41       2.5802      2.00000
     42       2.6720      2.00000
     43       2.6988      2.00000
     44       2.7304      2.00000
     45       2.8354      2.00000
     46       2.8599      2.00000
     47       2.8873      2.00000
     48       3.0500      2.00000
     49       3.0848      2.00000
     50       3.1607      2.00000
     51       3.2222      2.00000
     52       3.2281      2.00000
     53       3.5257      2.00000
     54       3.6094      2.00000
     55       3.6456      2.00000
     56       3.8422      2.00000
     57       3.9708      2.00000
     58       4.4751      2.00000
     59       5.6694      2.03597
     60       6.3566     -0.03511
     61       6.6994     -0.00001
     62       7.4993     -0.00000
     63       7.9648     -0.00000
     64       8.6764     -0.00000
     65       8.8718     -0.00000
     66       9.2041     -0.00000
     67       9.3664     -0.00000
     68       9.4641     -0.00000
     69       9.7819     -0.00000
     70      10.5100     -0.00000
     71      11.1752     -0.00000
     72      11.5327      0.00000
     73      12.0519      0.00000
     74      12.2349      0.00000
     75      13.0095      0.00000
     76      13.2393      0.00000
     77      13.2824      0.00000
     78      13.8447      0.00000
     79      14.5805      0.00000
     80      14.6662      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9305      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6616      2.00000
      5     -39.6609      2.00000
      6     -39.6182      2.00000
      7     -39.6035      2.00000
      8      -1.6136      2.00000
      9      -0.8287      2.00000
     10      -0.5733      2.00000
     11       0.0720      2.00000
     12       0.1459      2.00000
     13       0.3599      2.00000
     14       0.3873      2.00000
     15       0.5466      2.00000
     16       0.6381      2.00000
     17       0.7613      2.00000
     18       0.7859      2.00000
     19       0.8690      2.00000
     20       0.8726      2.00000
     21       0.9166      2.00000
     22       1.0129      2.00000
     23       1.0273      2.00000
     24       1.0725      2.00000
     25       1.2505      2.00000
     26       1.3053      2.00000
     27       1.3742      2.00000
     28       1.4740      2.00000
     29       1.6213      2.00000
     30       1.6684      2.00000
     31       1.7555      2.00000
     32       1.8313      2.00000
     33       1.9518      2.00000
     34       2.0092      2.00000
     35       2.1659      2.00000
     36       2.1978      2.00000
     37       2.3245      2.00000
     38       2.4210      2.00000
     39       2.4588      2.00000
     40       2.4648      2.00000
     41       2.5088      2.00000
     42       2.6245      2.00000
     43       2.6324      2.00000
     44       2.6520      2.00000
     45       2.8234      2.00000
     46       2.8338      2.00000
     47       2.9443      2.00000
     48       2.9465      2.00000
     49       2.9762      2.00000
     50       3.1868      2.00000
     51       3.2467      2.00000
     52       3.4513      2.00000
     53       3.5442      2.00000
     54       3.6478      2.00000
     55       3.9578      2.00000
     56       4.0601      2.00000
     57       4.2064      2.00000
     58       4.5923      2.00000
     59       5.8599      1.95835
     60       6.1152      0.24266
     61       6.6418     -0.00008
     62       7.3563     -0.00000
     63       7.9969     -0.00000
     64       8.2453     -0.00000
     65       8.6458     -0.00000
     66       9.1028     -0.00000
     67       9.1594     -0.00000
     68      10.9011     -0.00000
     69      11.4316     -0.00000
     70      11.6224      0.00000
     71      11.9342      0.00000
     72      12.3341      0.00000
     73      12.6154      0.00000
     74      13.1579      0.00000
     75      13.1996      0.00000
     76      13.3513      0.00000
     77      13.3896      0.00000
     78      13.8201      0.00000
     79      13.8443      0.00000
     80      14.0780      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6615      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3578      2.00000
      9      -0.6650      2.00000
     10      -0.5446      2.00000
     11       0.0514      2.00000
     12       0.1854      2.00000
     13       0.4645      2.00000
     14       0.5540      2.00000
     15       0.6202      2.00000
     16       0.6330      2.00000
     17       0.7459      2.00000
     18       0.7889      2.00000
     19       0.9086      2.00000
     20       0.9212      2.00000
     21       0.9495      2.00000
     22       0.9802      2.00000
     23       1.0952      2.00000
     24       1.1216      2.00000
     25       1.1755      2.00000
     26       1.3674      2.00000
     27       1.4271      2.00000
     28       1.5949      2.00000
     29       1.6101      2.00000
     30       1.6752      2.00000
     31       1.7181      2.00000
     32       1.7699      2.00000
     33       1.9297      2.00000
     34       2.0151      2.00000
     35       2.0727      2.00000
     36       2.1856      2.00000
     37       2.2073      2.00000
     38       2.2760      2.00000
     39       2.4516      2.00000
     40       2.4751      2.00000
     41       2.5324      2.00000
     42       2.6346      2.00000
     43       2.6782      2.00000
     44       2.7234      2.00000
     45       2.7437      2.00000
     46       2.8402      2.00000
     47       2.8831      2.00000
     48       2.9813      2.00000
     49       3.0611      2.00000
     50       3.1357      2.00000
     51       3.1561      2.00000
     52       3.3116      2.00000
     53       3.4335      2.00000
     54       3.5157      2.00000
     55       3.7583      2.00000
     56       3.8898      2.00000
     57       5.0159      2.00000
     58       5.1232      2.00000
     59       5.6025      2.01368
     60       6.0310      0.83966
     61       6.8522     -0.00000
     62       7.3490     -0.00000
     63       7.5024     -0.00000
     64       7.6923     -0.00000
     65       8.1091     -0.00000
     66       8.2555     -0.00000
     67       9.9404     -0.00000
     68      10.3659     -0.00000
     69      10.5373     -0.00000
     70      10.9921     -0.00000
     71      11.1551     -0.00000
     72      11.6545      0.00000
     73      12.3195      0.00000
     74      12.4531      0.00000
     75      12.9696      0.00000
     76      13.1596      0.00000
     77      13.6471      0.00000
     78      13.7841      0.00000
     79      14.0790      0.00000
     80      14.3545      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.8997      2.00000
      9      -0.3665      2.00000
     10      -0.0536      2.00000
     11       0.0256      2.00000
     12       0.4685      2.00000
     13       0.4949      2.00000
     14       0.5794      2.00000
     15       0.6961      2.00000
     16       0.7320      2.00000
     17       0.7699      2.00000
     18       0.8267      2.00000
     19       0.8765      2.00000
     20       0.9958      2.00000
     21       1.0240      2.00000
     22       1.1338      2.00000
     23       1.2392      2.00000
     24       1.3345      2.00000
     25       1.3843      2.00000
     26       1.4579      2.00000
     27       1.5116      2.00000
     28       1.5522      2.00000
     29       1.5897      2.00000
     30       1.7471      2.00000
     31       1.7972      2.00000
     32       1.8678      2.00000
     33       1.9067      2.00000
     34       1.9620      2.00000
     35       2.0157      2.00000
     36       2.1231      2.00000
     37       2.1832      2.00000
     38       2.2243      2.00000
     39       2.2517      2.00000
     40       2.3222      2.00000
     41       2.5512      2.00000
     42       2.6049      2.00000
     43       2.6511      2.00000
     44       2.7185      2.00000
     45       2.7293      2.00000
     46       2.8423      2.00000
     47       2.8709      2.00000
     48       2.9091      2.00000
     49       2.9602      2.00000
     50       3.0413      2.00000
     51       3.1304      2.00000
     52       3.2697      2.00000
     53       3.3461      2.00000
     54       3.4086      2.00000
     55       3.4961      2.00000
     56       3.7091      2.00000
     57       4.6923      2.00000
     58       5.3779      2.00007
     59       5.6271      2.02026
     60       5.8312      2.02415
     61       6.6878     -0.00002
     62       6.9342     -0.00000
     63       7.0988     -0.00000
     64       7.2350     -0.00000
     65       8.4852     -0.00000
     66       8.5780     -0.00000
     67       8.6977     -0.00000
     68       8.8937     -0.00000
     69       9.2404     -0.00000
     70       9.6632     -0.00000
     71      10.8844     -0.00000
     72      11.0704     -0.00000
     73      11.2570     -0.00000
     74      11.7870      0.00000
     75      12.7415      0.00000
     76      12.9954      0.00000
     77      13.5104      0.00000
     78      13.7480      0.00000
     79      13.9821      0.00000
     80      14.3824      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3683      2.00000
      9      -0.1236      2.00000
     10       0.0977      2.00000
     11       0.1721      2.00000
     12       0.4616      2.00000
     13       0.5275      2.00000
     14       0.5870      2.00000
     15       0.6365      2.00000
     16       0.7430      2.00000
     17       0.9005      2.00000
     18       0.9469      2.00000
     19       1.0615      2.00000
     20       1.1492      2.00000
     21       1.1873      2.00000
     22       1.2412      2.00000
     23       1.3137      2.00000
     24       1.3910      2.00000
     25       1.4814      2.00000
     26       1.5073      2.00000
     27       1.5357      2.00000
     28       1.6203      2.00000
     29       1.7153      2.00000
     30       1.7355      2.00000
     31       1.8329      2.00000
     32       1.9022      2.00000
     33       1.9664      2.00000
     34       2.0376      2.00000
     35       2.1072      2.00000
     36       2.1702      2.00000
     37       2.2518      2.00000
     38       2.3018      2.00000
     39       2.3146      2.00000
     40       2.3760      2.00000
     41       2.4262      2.00000
     42       2.5141      2.00000
     43       2.5580      2.00000
     44       2.5773      2.00000
     45       2.6319      2.00000
     46       2.6988      2.00000
     47       2.7549      2.00000
     48       2.8008      2.00000
     49       2.9508      2.00000
     50       3.0411      2.00000
     51       3.1351      2.00000
     52       3.1760      2.00000
     53       3.3273      2.00000
     54       3.5282      2.00000
     55       3.5936      2.00000
     56       3.9504      2.00000
     57       4.1860      2.00000
     58       4.4087      2.00000
     59       5.2698      2.00000
     60       5.8264      2.03187
     61       5.9497      1.49972
     62       6.2518     -0.07070
     63       6.4609     -0.00672
     64       6.9881     -0.00000
     65       7.8580     -0.00000
     66       8.0257     -0.00000
     67       8.8164     -0.00000
     68       9.1366     -0.00000
     69       9.7163     -0.00000
     70       9.8464     -0.00000
     71      10.3620     -0.00000
     72      10.5691     -0.00000
     73      10.9505     -0.00000
     74      11.8413      0.00000
     75      12.4447      0.00000
     76      12.6097      0.00000
     77      13.3132      0.00000
     78      13.7084      0.00000
     79      14.3478      0.00000
     80      14.4382      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4401      2.00000
      9      -0.1400      2.00000
     10      -0.0193      2.00000
     11       0.1294      2.00000
     12       0.5439      2.00000
     13       0.5885      2.00000
     14       0.6439      2.00000
     15       0.7770      2.00000
     16       0.8012      2.00000
     17       0.9221      2.00000
     18       0.9638      2.00000
     19       1.0455      2.00000
     20       1.1067      2.00000
     21       1.1475      2.00000
     22       1.2376      2.00000
     23       1.3353      2.00000
     24       1.3831      2.00000
     25       1.4047      2.00000
     26       1.4859      2.00000
     27       1.5853      2.00000
     28       1.6653      2.00000
     29       1.7159      2.00000
     30       1.7653      2.00000
     31       1.8185      2.00000
     32       1.8837      2.00000
     33       1.8951      2.00000
     34       1.9997      2.00000
     35       2.1215      2.00000
     36       2.1763      2.00000
     37       2.2150      2.00000
     38       2.2402      2.00000
     39       2.3021      2.00000
     40       2.3902      2.00000
     41       2.4497      2.00000
     42       2.4868      2.00000
     43       2.5483      2.00000
     44       2.6162      2.00000
     45       2.6394      2.00000
     46       2.7229      2.00000
     47       2.7673      2.00000
     48       2.8190      2.00000
     49       2.8717      2.00000
     50       3.1291      2.00000
     51       3.1378      2.00000
     52       3.3394      2.00000
     53       3.4663      2.00000
     54       3.5698      2.00000
     55       3.6019      2.00000
     56       3.7699      2.00000
     57       4.3572      2.00000
     58       4.5559      2.00000
     59       5.1180      2.00000
     60       5.6130      2.01625
     61       5.7515      2.06925
     62       6.3993     -0.01954
     63       6.4907     -0.00367
     64       6.8262     -0.00000
     65       6.9898     -0.00000
     66       7.3708     -0.00000
     67       9.0959     -0.00000
     68       9.3387     -0.00000
     69      10.2346     -0.00000
     70      10.5457     -0.00000
     71      10.9066     -0.00000
     72      11.4052     -0.00000
     73      11.5558      0.00000
     74      11.8243      0.00000
     75      12.1678      0.00000
     76      12.6497      0.00000
     77      12.9208      0.00000
     78      13.0864      0.00000
     79      13.8917      0.00000
     80      14.2230      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6155      2.00000
      7     -39.6063      2.00000
      8      -1.1093      2.00000
      9      -0.3095      2.00000
     10      -0.1726      2.00000
     11       0.2323      2.00000
     12       0.4791      2.00000
     13       0.5452      2.00000
     14       0.5738      2.00000
     15       0.6533      2.00000
     16       0.7700      2.00000
     17       0.8546      2.00000
     18       0.9275      2.00000
     19       1.0154      2.00000
     20       1.0886      2.00000
     21       1.1194      2.00000
     22       1.1646      2.00000
     23       1.1890      2.00000
     24       1.2180      2.00000
     25       1.2511      2.00000
     26       1.3533      2.00000
     27       1.4810      2.00000
     28       1.5463      2.00000
     29       1.6346      2.00000
     30       1.6817      2.00000
     31       1.7872      2.00000
     32       1.8354      2.00000
     33       1.9644      2.00000
     34       2.0333      2.00000
     35       2.0970      2.00000
     36       2.1581      2.00000
     37       2.2157      2.00000
     38       2.2370      2.00000
     39       2.2995      2.00000
     40       2.3332      2.00000
     41       2.5215      2.00000
     42       2.6142      2.00000
     43       2.6398      2.00000
     44       2.7150      2.00000
     45       2.7295      2.00000
     46       2.7736      2.00000
     47       2.8141      2.00000
     48       2.9357      2.00000
     49       2.9918      2.00000
     50       3.0599      2.00000
     51       3.1330      2.00000
     52       3.1992      2.00000
     53       3.4198      2.00000
     54       3.4591      2.00000
     55       3.5605      2.00000
     56       3.7123      2.00000
     57       4.5245      2.00000
     58       4.7812      2.00000
     59       5.4020      2.00014
     60       5.9511      1.48991
     61       6.4728     -0.00531
     62       6.8044     -0.00000
     63       7.0837     -0.00000
     64       7.3822     -0.00000
     65       8.0423     -0.00000
     66       8.6605     -0.00000
     67       8.7511     -0.00000
     68       9.3320     -0.00000
     69       9.8238     -0.00000
     70       9.9120     -0.00000
     71      10.6535     -0.00000
     72      11.1620     -0.00000
     73      11.8694      0.00000
     74      12.1811      0.00000
     75      12.6451      0.00000
     76      13.2134      0.00000
     77      13.9465      0.00000
     78      14.0302      0.00000
     79      14.3556      0.00000
     80      14.4000      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.5495      2.00000
      9      -0.6263      2.00000
     10      -0.3849      2.00000
     11       0.1867      2.00000
     12       0.2300      2.00000
     13       0.4331      2.00000
     14       0.5230      2.00000
     15       0.5830      2.00000
     16       0.6291      2.00000
     17       0.6881      2.00000
     18       0.8045      2.00000
     19       0.9123      2.00000
     20       0.9411      2.00000
     21       0.9803      2.00000
     22       1.0436      2.00000
     23       1.1289      2.00000
     24       1.1574      2.00000
     25       1.2469      2.00000
     26       1.2682      2.00000
     27       1.3810      2.00000
     28       1.5880      2.00000
     29       1.6388      2.00000
     30       1.7047      2.00000
     31       1.7547      2.00000
     32       1.8160      2.00000
     33       1.8627      2.00000
     34       1.9862      2.00000
     35       2.0285      2.00000
     36       2.1157      2.00000
     37       2.3031      2.00000
     38       2.3400      2.00000
     39       2.4403      2.00000
     40       2.5092      2.00000
     41       2.5205      2.00000
     42       2.6004      2.00000
     43       2.6688      2.00000
     44       2.6946      2.00000
     45       2.7883      2.00000
     46       2.8388      2.00000
     47       2.8973      2.00000
     48       3.0441      2.00000
     49       3.0877      2.00000
     50       3.2059      2.00000
     51       3.2240      2.00000
     52       3.2928      2.00000
     53       3.3962      2.00000
     54       3.5829      2.00000
     55       3.7890      2.00000
     56       3.8096      2.00000
     57       3.9696      2.00000
     58       4.7449      2.00000
     59       5.6507      2.02838
     60       6.5507     -0.00093
     61       6.8407     -0.00000
     62       7.4397     -0.00000
     63       7.8210     -0.00000
     64       7.8788     -0.00000
     65       8.4128     -0.00000
     66       9.0433     -0.00000
     67       9.2164     -0.00000
     68       9.9775     -0.00000
     69      10.4650     -0.00000
     70      10.7155     -0.00000
     71      11.1268     -0.00000
     72      11.4679     -0.00000
     73      12.1243      0.00000
     74      12.6499      0.00000
     75      12.9909      0.00000
     76      13.3464      0.00000
     77      13.4860      0.00000
     78      13.8935      0.00000
     79      14.3081      0.00000
     80      14.5265      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9304      2.00000
      2     -39.9234      2.00000
      3     -39.7958      2.00000
      4     -39.6615      2.00000
      5     -39.6609      2.00000
      6     -39.6182      2.00000
      7     -39.6034      2.00000
      8      -1.6077      2.00000
      9      -0.7842      2.00000
     10      -0.6584      2.00000
     11       0.0655      2.00000
     12       0.1891      2.00000
     13       0.3565      2.00000
     14       0.3846      2.00000
     15       0.5637      2.00000
     16       0.6116      2.00000
     17       0.7245      2.00000
     18       0.7831      2.00000
     19       0.8448      2.00000
     20       0.9071      2.00000
     21       0.9226      2.00000
     22       1.0629      2.00000
     23       1.1119      2.00000
     24       1.1492      2.00000
     25       1.2412      2.00000
     26       1.2561      2.00000
     27       1.2667      2.00000
     28       1.4658      2.00000
     29       1.5997      2.00000
     30       1.6157      2.00000
     31       1.7437      2.00000
     32       1.7852      2.00000
     33       1.9085      2.00000
     34       2.1207      2.00000
     35       2.1538      2.00000
     36       2.3407      2.00000
     37       2.3511      2.00000
     38       2.3875      2.00000
     39       2.4338      2.00000
     40       2.4643      2.00000
     41       2.5318      2.00000
     42       2.6284      2.00000
     43       2.6606      2.00000
     44       2.7234      2.00000
     45       2.7943      2.00000
     46       2.8418      2.00000
     47       2.8915      2.00000
     48       2.9376      2.00000
     49       3.0346      2.00000
     50       3.1712      2.00000
     51       3.2197      2.00000
     52       3.3905      2.00000
     53       3.5845      2.00000
     54       3.6360      2.00000
     55       3.9489      2.00000
     56       4.0525      2.00000
     57       4.2260      2.00000
     58       4.4548      2.00000
     59       5.6731      2.03760
     60       6.2324     -0.06544
     61       6.6851     -0.00002
     62       7.5065     -0.00000
     63       7.8801     -0.00000
     64       8.1310     -0.00000
     65       8.7995     -0.00000
     66       9.3701     -0.00000
     67       9.5844     -0.00000
     68      10.7282     -0.00000
     69      10.8859     -0.00000
     70      11.4654     -0.00000
     71      11.9686      0.00000
     72      12.0695      0.00000
     73      12.5014      0.00000
     74      12.8811      0.00000
     75      12.9990      0.00000
     76      13.2798      0.00000
     77      13.4295      0.00000
     78      13.8885      0.00000
     79      14.0480      0.00000
     80      14.3277      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.3900      2.00000
      9      -0.7323      2.00000
     10      -0.4732      2.00000
     11       0.1172      2.00000
     12       0.1856      2.00000
     13       0.4771      2.00000
     14       0.5467      2.00000
     15       0.6275      2.00000
     16       0.6338      2.00000
     17       0.7463      2.00000
     18       0.7665      2.00000
     19       0.9266      2.00000
     20       0.9321      2.00000
     21       0.9502      2.00000
     22       0.9801      2.00000
     23       1.1165      2.00000
     24       1.1597      2.00000
     25       1.1799      2.00000
     26       1.3665      2.00000
     27       1.3773      2.00000
     28       1.5120      2.00000
     29       1.6134      2.00000
     30       1.6279      2.00000
     31       1.7903      2.00000
     32       1.8386      2.00000
     33       1.9577      2.00000
     34       1.9841      2.00000
     35       2.1598      2.00000
     36       2.1989      2.00000
     37       2.2170      2.00000
     38       2.2525      2.00000
     39       2.3017      2.00000
     40       2.5309      2.00000
     41       2.5707      2.00000
     42       2.6194      2.00000
     43       2.6913      2.00000
     44       2.7380      2.00000
     45       2.8093      2.00000
     46       2.8925      2.00000
     47       2.9525      2.00000
     48       2.9987      2.00000
     49       3.1074      2.00000
     50       3.1516      2.00000
     51       3.1910      2.00000
     52       3.3057      2.00000
     53       3.3959      2.00000
     54       3.5527      2.00000
     55       3.7385      2.00000
     56       3.8943      2.00000
     57       4.0273      2.00000
     58       4.2815      2.00000
     59       6.2329     -0.06571
     60       6.6551     -0.00005
     61       7.1086     -0.00000
     62       7.3046     -0.00000
     63       7.9964     -0.00000
     64       8.2212     -0.00000
     65       8.3782     -0.00000
     66       8.7832     -0.00000
     67       9.5527     -0.00000
     68       9.8153     -0.00000
     69      10.1262     -0.00000
     70      10.3337     -0.00000
     71      10.8553     -0.00000
     72      11.3273     -0.00000
     73      12.0408      0.00000
     74      12.1967      0.00000
     75      12.6228      0.00000
     76      13.1289      0.00000
     77      13.5433      0.00000
     78      13.7375      0.00000
     79      14.3073      0.00000
     80      14.6107      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6611      2.00000
      5     -39.6610      2.00000
      6     -39.6156      2.00000
      7     -39.6063      2.00000
      8      -0.9142      2.00000
      9      -0.4539      2.00000
     10       0.0429      2.00000
     11       0.0930      2.00000
     12       0.3951      2.00000
     13       0.4956      2.00000
     14       0.6442      2.00000
     15       0.6702      2.00000
     16       0.7362      2.00000
     17       0.7760      2.00000
     18       0.8167      2.00000
     19       0.9026      2.00000
     20       1.0168      2.00000
     21       1.0429      2.00000
     22       1.1205      2.00000
     23       1.2284      2.00000
     24       1.2697      2.00000
     25       1.2932      2.00000
     26       1.3759      2.00000
     27       1.4604      2.00000
     28       1.6697      2.00000
     29       1.6947      2.00000
     30       1.7822      2.00000
     31       1.8191      2.00000
     32       1.8489      2.00000
     33       1.9058      2.00000
     34       1.9674      2.00000
     35       1.9947      2.00000
     36       2.0248      2.00000
     37       2.2323      2.00000
     38       2.2919      2.00000
     39       2.3447      2.00000
     40       2.4775      2.00000
     41       2.5146      2.00000
     42       2.5659      2.00000
     43       2.6834      2.00000
     44       2.7025      2.00000
     45       2.7373      2.00000
     46       2.7569      2.00000
     47       2.8502      2.00000
     48       2.8758      2.00000
     49       2.9090      2.00000
     50       3.0683      2.00000
     51       3.1604      2.00000
     52       3.3252      2.00000
     53       3.3402      2.00000
     54       3.5799      2.00000
     55       3.7454      2.00000
     56       3.8168      2.00000
     57       4.0173      2.00000
     58       4.6215      2.00000
     59       4.8154      2.00000
     60       6.5673     -0.00062
     61       7.0477     -0.00000
     62       7.5009     -0.00000
     63       7.6175     -0.00000
     64       7.8373     -0.00000
     65       8.0237     -0.00000
     66       8.6777     -0.00000
     67       8.9012     -0.00000
     68       9.1772     -0.00000
     69       9.5692     -0.00000
     70       9.5922     -0.00000
     71       9.7940     -0.00000
     72      10.0793     -0.00000
     73      11.4805      0.00000
     74      11.7899      0.00000
     75      11.8683      0.00000
     76      12.9842      0.00000
     77      13.3729      0.00000
     78      13.9702      0.00000
     79      14.2101      0.00000
     80      14.5683      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9275      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6093      2.00000
      8      -0.3644      2.00000
      9      -0.1231      2.00000
     10       0.1022      2.00000
     11       0.1517      2.00000
     12       0.4154      2.00000
     13       0.5335      2.00000
     14       0.6069      2.00000
     15       0.6903      2.00000
     16       0.7681      2.00000
     17       0.8916      2.00000
     18       0.9336      2.00000
     19       1.0629      2.00000
     20       1.1158      2.00000
     21       1.1791      2.00000
     22       1.2091      2.00000
     23       1.3389      2.00000
     24       1.3892      2.00000
     25       1.4429      2.00000
     26       1.5029      2.00000
     27       1.6529      2.00000
     28       1.6959      2.00000
     29       1.7158      2.00000
     30       1.7346      2.00000
     31       1.8307      2.00000
     32       1.8686      2.00000
     33       1.9300      2.00000
     34       2.0043      2.00000
     35       2.1183      2.00000
     36       2.1581      2.00000
     37       2.2482      2.00000
     38       2.2733      2.00000
     39       2.3425      2.00000
     40       2.3911      2.00000
     41       2.4314      2.00000
     42       2.5223      2.00000
     43       2.5654      2.00000
     44       2.5896      2.00000
     45       2.6365      2.00000
     46       2.6742      2.00000
     47       2.7232      2.00000
     48       2.7873      2.00000
     49       2.8704      2.00000
     50       3.0705      2.00000
     51       3.1202      2.00000
     52       3.1725      2.00000
     53       3.2185      2.00000
     54       3.4823      2.00000
     55       3.5919      2.00000
     56       3.9531      2.00000
     57       4.6183      2.00000
     58       4.6939      2.00000
     59       5.1135      2.00000
     60       5.6396      2.02433
     61       5.7691      2.07088
     62       6.0805      0.45596
     63       6.3768     -0.02707
     64       6.9228     -0.00000
     65       7.6518     -0.00000
     66       8.4477     -0.00000
     67       8.9928     -0.00000
     68       9.3497     -0.00000
     69       9.4642     -0.00000
     70       9.8079     -0.00000
     71      10.6587     -0.00000
     72      11.0128     -0.00000
     73      11.3647     -0.00000
     74      11.6957      0.00000
     75      12.0683      0.00000
     76      12.4048      0.00000
     77      12.7468      0.00000
     78      13.6092      0.00000
     79      13.9538      0.00000
     80      14.1519      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9276      2.00000
      2     -39.9260      2.00000
      3     -39.7951      2.00000
      4     -39.6610      2.00000
      5     -39.6609      2.00000
      6     -39.6127      2.00000
      7     -39.6094      2.00000
      8      -0.4287      2.00000
      9      -0.1884      2.00000
     10       0.0367      2.00000
     11       0.1366      2.00000
     12       0.5255      2.00000
     13       0.5847      2.00000
     14       0.6759      2.00000
     15       0.7359      2.00000
     16       0.7933      2.00000
     17       0.8739      2.00000
     18       0.9498      2.00000
     19       1.0880      2.00000
     20       1.1052      2.00000
     21       1.1956      2.00000
     22       1.2702      2.00000
     23       1.2914      2.00000
     24       1.3604      2.00000
     25       1.4090      2.00000
     26       1.4613      2.00000
     27       1.5470      2.00000
     28       1.6640      2.00000
     29       1.7383      2.00000
     30       1.7694      2.00000
     31       1.8266      2.00000
     32       1.8440      2.00000
     33       1.9554      2.00000
     34       2.0553      2.00000
     35       2.0886      2.00000
     36       2.1270      2.00000
     37       2.2372      2.00000
     38       2.2736      2.00000
     39       2.2826      2.00000
     40       2.4329      2.00000
     41       2.4702      2.00000
     42       2.4726      2.00000
     43       2.5491      2.00000
     44       2.6198      2.00000
     45       2.6448      2.00000
     46       2.6987      2.00000
     47       2.7854      2.00000
     48       2.7981      2.00000
     49       2.8753      2.00000
     50       3.0852      2.00000
     51       3.1610      2.00000
     52       3.2448      2.00000
     53       3.4768      2.00000
     54       3.5561      2.00000
     55       3.6474      2.00000
     56       4.0556      2.00000
     57       4.5053      2.00000
     58       4.5566      2.00000
     59       4.8198      2.00000
     60       5.1631      2.00000
     61       5.6501      2.02813
     62       6.1319      0.16065
     63       6.3949     -0.02088
     64       7.5571     -0.00000
     65       7.7285     -0.00000
     66       8.0216     -0.00000
     67       8.4092     -0.00000
     68       8.9474     -0.00000
     69       9.6219     -0.00000
     70      10.2504     -0.00000
     71      10.3910     -0.00000
     72      11.2597     -0.00000
     73      11.6822      0.00000
     74      12.2775      0.00000
     75      12.4593      0.00000
     76      12.6174      0.00000
     77      13.3522      0.00000
     78      13.6014      0.00000
     79      14.1629      0.00000
     80      14.3020      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9290      2.00000
      2     -39.9246      2.00000
      3     -39.7953      2.00000
      4     -39.6612      2.00000
      5     -39.6609      2.00000
      6     -39.6155      2.00000
      7     -39.6064      2.00000
      8      -1.0488      2.00000
      9      -0.4653      2.00000
     10      -0.0820      2.00000
     11       0.3249      2.00000
     12       0.4401      2.00000
     13       0.5117      2.00000
     14       0.5642      2.00000
     15       0.6419      2.00000
     16       0.7450      2.00000
     17       0.8157      2.00000
     18       0.9174      2.00000
     19       0.9884      2.00000
     20       1.0188      2.00000
     21       1.0927      2.00000
     22       1.1818      2.00000
     23       1.2064      2.00000
     24       1.3124      2.00000
     25       1.3353      2.00000
     26       1.3565      2.00000
     27       1.4352      2.00000
     28       1.5011      2.00000
     29       1.5987      2.00000
     30       1.7632      2.00000
     31       1.8368      2.00000
     32       1.8577      2.00000
     33       1.9251      2.00000
     34       1.9819      2.00000
     35       2.0368      2.00000
     36       2.1165      2.00000
     37       2.1881      2.00000
     38       2.2535      2.00000
     39       2.3244      2.00000
     40       2.4445      2.00000
     41       2.4880      2.00000
     42       2.5039      2.00000
     43       2.6443      2.00000
     44       2.6768      2.00000
     45       2.7572      2.00000
     46       2.7961      2.00000
     47       2.8452      2.00000
     48       2.9227      2.00000
     49       3.0172      2.00000
     50       3.0768      2.00000
     51       3.1432      2.00000
     52       3.2159      2.00000
     53       3.3185      2.00000
     54       3.4802      2.00000
     55       3.6444      2.00000
     56       3.8440      2.00000
     57       4.7513      2.00000
     58       5.2042      2.00000
     59       5.3335      2.00002
     60       5.5924      2.01150
     61       6.3356     -0.04448
     62       6.5354     -0.00135
     63       7.2791     -0.00000
     64       7.3821     -0.00000
     65       7.6570     -0.00000
     66       8.0512     -0.00000
     67       8.8478     -0.00000
     68       9.6428     -0.00000
     69       9.9715     -0.00000
     70      10.4891     -0.00000
     71      10.6727     -0.00000
     72      11.0006     -0.00000
     73      11.2955     -0.00000
     74      12.4550      0.00000
     75      13.0131      0.00000
     76      13.2880      0.00000
     77      13.5839      0.00000
     78      14.1171      0.00000
     79      14.2165      0.00000
     80      14.8509      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9301      2.00000
      2     -39.9237      2.00000
      3     -39.7956      2.00000
      4     -39.6614      2.00000
      5     -39.6609      2.00000
      6     -39.6175      2.00000
      7     -39.6042      2.00000
      8      -1.4876      2.00000
      9      -0.7367      2.00000
     10      -0.3608      2.00000
     11       0.1587      2.00000
     12       0.2172      2.00000
     13       0.4603      2.00000
     14       0.5299      2.00000
     15       0.6055      2.00000
     16       0.6298      2.00000
     17       0.6604      2.00000
     18       0.8201      2.00000
     19       0.8761      2.00000
     20       0.9334      2.00000
     21       0.9747      2.00000
     22       0.9925      2.00000
     23       1.1409      2.00000
     24       1.1786      2.00000
     25       1.2436      2.00000
     26       1.3189      2.00000
     27       1.4319      2.00000
     28       1.5434      2.00000
     29       1.5916      2.00000
     30       1.6115      2.00000
     31       1.6860      2.00000
     32       1.8909      2.00000
     33       1.9589      2.00000
     34       2.0134      2.00000
     35       2.0877      2.00000
     36       2.1889      2.00000
     37       2.2524      2.00000
     38       2.3274      2.00000
     39       2.3486      2.00000
     40       2.4488      2.00000
     41       2.4673      2.00000
     42       2.6268      2.00000
     43       2.6686      2.00000
     44       2.7479      2.00000
     45       2.7725      2.00000
     46       2.8235      2.00000
     47       2.9591      2.00000
     48       2.9810      2.00000
     49       3.1111      2.00000
     50       3.1459      2.00000
     51       3.1925      2.00000
     52       3.2996      2.00000
     53       3.3741      2.00000
     54       3.6061      2.00000
     55       3.7731      2.00000
     56       3.8254      2.00000
     57       4.6124      2.00000
     58       5.1241      2.00000
     59       5.6706      2.03647
     60       6.1302      0.16824
     61       6.4364     -0.01057
     62       6.9131     -0.00000
     63       7.2540     -0.00000
     64       7.9331     -0.00000
     65       8.8890     -0.00000
     66       8.9793     -0.00000
     67       9.2160     -0.00000
     68       9.9733     -0.00000
     69      10.0452     -0.00000
     70      11.6931      0.00000
     71      11.9015      0.00000
     72      12.1100      0.00000
     73      12.2281      0.00000
     74      12.4484      0.00000
     75      12.8832      0.00000
     76      13.2822      0.00000
     77      13.5562      0.00000
     78      13.8033      0.00000
     79      13.9460      0.00000
     80      14.4496      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.168  -0.000  -0.000  -0.003  -0.000  -5.379  -0.000  -0.000
 -0.000  -5.166  -0.003   0.001  -0.001  -0.000  -5.377  -0.003
 -0.000  -0.003  -5.170  -0.001  -0.006  -0.000  -0.003  -5.380
 -0.003   0.001  -0.001  -5.175   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.156  -0.000  -0.001  -0.006
 -5.379  -0.000  -0.000  -0.003  -0.000  -5.572  -0.000  -0.000
 -0.000  -5.377  -0.003   0.001  -0.001  -0.000  -5.570  -0.003
 -0.000  -0.003  -5.380  -0.001  -0.006  -0.000  -0.003  -5.573
 -0.003   0.001  -0.001  -5.385   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.366  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.019   0.010   0.029   0.011   0.006  -1.165  -0.014  -0.024  -0.041  -0.013   0.018  -0.005  -0.012   0.007   0.356  -0.000
  0.010   3.070  -0.270   0.020  -0.182  -0.014  -1.056   0.224  -0.011   0.145  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.029  -0.270   2.652   0.008  -0.312  -0.024   0.224  -0.695  -0.018   0.230   0.083  -0.036  -0.111  -0.021  -0.004   0.006
  0.011   0.020   0.008   2.940   0.016  -0.041  -0.011  -0.018  -1.103  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.312   0.016   3.075  -0.013   0.145   0.230  -0.007  -1.013  -0.140   0.067   0.046  -0.008   0.020   0.008
 -1.165  -0.014  -0.024  -0.041  -0.013   1.219   0.018   0.020   0.068   0.018  -0.016   0.005   0.011  -0.007  -0.288  -0.000
 -0.014  -1.056   0.224  -0.011   0.145   0.018   0.976  -0.181   0.003  -0.108   0.063  -0.015  -0.007  -0.136  -0.007   0.000
 -0.024   0.224  -0.695  -0.018   0.230   0.020  -0.181   0.676   0.025  -0.159  -0.091   0.047   0.084   0.025   0.002  -0.002
 -0.041  -0.011  -0.018  -1.103  -0.007   0.068   0.003   0.025   1.163   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.230  -0.007  -1.013   0.018  -0.108  -0.159   0.001   0.905   0.130  -0.073  -0.049   0.009  -0.015  -0.000
  0.018  -0.069   0.083  -0.020  -0.140  -0.016   0.063  -0.091   0.020   0.130   2.090  -0.310  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.310   0.126   0.059  -0.004   0.002  -0.002
 -0.012  -0.001  -0.111   0.011   0.046   0.011  -0.007   0.084  -0.009  -0.049  -0.041   0.059   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.008  -0.007  -0.136   0.025  -0.003   0.009   0.002  -0.004   0.007   0.126   0.002  -0.000
  0.356   0.008  -0.004  -0.020   0.020  -0.288  -0.007   0.002   0.012  -0.015   0.001   0.002  -0.001   0.002   0.157   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.59: real time    1.60
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.78: real time    3.81
    STRESS:  cpu time    6.62: real time    6.67
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   468.89280   468.89280   468.89280
  Ewald   -2471.77260 -3171.42690 -2711.50591   -21.91633   -23.42641    12.32139
  Hartree   847.79883   347.16487   676.63762   -14.62738    -2.47119     7.73194
  E(xc)    -540.89501  -541.56933  -541.04914    -0.02641    -0.13415     0.01551
  Local    -593.41430   604.55646  -182.78142    36.06652    24.70124   -19.57397
  n-local  -102.93206   -99.72369  -101.66402     0.30322     0.71497    -0.26434
  augment   723.84203   723.32212   723.38625     0.02982     0.12500    -0.05217
  Kinetic  1668.41874  1668.69881  1668.01135     0.17711     0.49396    -0.17088
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.06156    -0.08486    -0.07246     0.00655     0.00342     0.00748
  in kB      -0.38284    -0.52769    -0.45062     0.04071     0.02126     0.04650
  external pressure =       -0.45 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.64
      direct lattice vectors                 reciprocal lattice vectors
     4.100007469 -0.101455257  0.141748373     0.243600241  0.100333861  0.080541248
    -3.910374789  8.756658266  0.918521971     0.002759563  0.115157954  0.002604266
    -2.322316707 -0.106185640  7.156220420    -0.005179362 -0.016768247  0.137808966

  length of vectors
     4.103711371  9.633990741  7.524355187     0.275490206  0.115220449  0.138921960


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.369E+01 -.157E+03 0.258E+02   0.386E+01 0.160E+03 -.261E+02   -.165E+00 -.282E+01 0.294E+00   0.646E-04 -.124E-03 -.324E-03
   0.370E+01 0.157E+03 -.258E+02   -.386E+01 -.160E+03 0.261E+02   0.165E+00 0.282E+01 -.295E+00   -.469E-04 0.121E-03 0.317E-03
   0.307E+01 0.145E+03 0.753E+01   -.317E+01 -.146E+03 -.735E+01   0.966E-01 0.128E+01 -.177E+00   -.237E-04 0.619E-03 0.181E-03
   -.722E-01 -.681E+02 -.413E+02   0.793E-01 0.677E+02 0.421E+02   -.753E-02 0.337E+00 -.852E+00   -.948E-04 -.138E-02 0.497E-03
   0.624E+01 0.970E+02 -.970E+02   -.631E+01 -.982E+02 0.984E+02   0.646E-01 0.126E+01 -.139E+01   0.399E-04 0.996E-03 -.118E-02
   -.206E-01 0.256E-02 -.148E-01   0.205E-01 -.272E-02 0.149E-01   0.437E-03 0.227E-04 -.832E-04   -.211E-05 0.282E-05 0.655E-05
   -.621E+01 -.970E+02 0.971E+02   0.627E+01 0.983E+02 -.985E+02   -.655E-01 -.126E+01 0.139E+01   -.388E-04 -.999E-03 0.120E-02
   -.306E+01 -.145E+03 -.754E+01   0.315E+01 0.146E+03 0.736E+01   -.973E-01 -.128E+01 0.178E+00   0.376E-04 -.614E-03 -.205E-03
   0.448E-01 0.681E+02 0.413E+02   -.524E-01 -.677E+02 -.421E+02   0.841E-02 -.336E+00 0.852E+00   0.116E-03 0.136E-02 -.496E-03
   0.551E-02 0.692E-02 -.290E-02   -.538E-02 -.697E-02 0.269E-02   -.830E-04 0.242E-04 0.159E-03   -.505E-06 -.435E-05 0.258E-06
   0.920E+00 0.960E+01 -.281E+02   -.925E+00 -.941E+01 0.280E+02   0.551E-02 -.190E+00 0.101E+00   -.324E-06 -.181E-03 -.200E-03
   -.932E+00 -.960E+01 0.281E+02   0.937E+00 0.941E+01 -.280E+02   -.528E-02 0.190E+00 -.101E+00   -.354E-06 0.185E-03 0.203E-03
   0.761E+00 -.910E+01 -.206E+02   -.717E+00 0.914E+01 0.203E+02   -.437E-01 -.414E-01 0.272E+00   -.103E-04 -.138E-03 0.148E-03
   -.169E+01 -.620E+02 0.424E+01   0.168E+01 0.619E+02 -.449E+01   0.496E-02 0.703E-01 0.252E+00   -.456E-04 -.223E-03 -.169E-04
   -.759E+00 0.912E+01 0.206E+02   0.716E+00 -.916E+01 -.203E+02   0.436E-01 0.413E-01 -.272E+00   0.103E-04 0.137E-03 -.146E-03
   0.168E+01 0.620E+02 -.423E+01   -.167E+01 -.619E+02 0.449E+01   -.478E-02 -.702E-01 -.252E+00   0.475E-04 0.225E-03 0.149E-04
 -----------------------------------------------------------------------------------------------
   -.130E-03 -.348E-04 -.195E-04   0.733E-14 0.995E-13 -.178E-14   0.998E-04 0.932E-03 0.330E-04   0.523E-04 -.929E-05 0.368E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07118      6.36279      7.89143         0.000484     -0.006519     -0.003786
     -2.91098      8.15338      4.53470        -0.000534      0.006338      0.003719
     -1.04479      1.16125      4.62351         0.001392      0.001790      0.000609
     -2.90210      5.24199      2.40723        -0.000533      0.000999     -0.013585
      1.19252      1.83254      0.30953         0.000214      0.002842      0.003566
     -3.08595      2.93046      5.68295         0.000368     -0.000188      0.000115
     -0.94198      4.03305      4.04189        -0.000858     -0.002545     -0.004088
     -1.02700      4.59830      6.88396        -0.001703     -0.002068     -0.000255
      3.15247      0.62350      1.94403         0.000972     -0.000839      0.013814
     -5.04100      7.30887      6.14217         0.000046     -0.000086     -0.000047
     -0.84867      3.63718      1.26219         0.000088     -0.000632     -0.002413
      1.09895      2.22850      3.08918        -0.000055      0.000798      0.002344
     -0.85009      6.70420      3.45719         0.000044      0.001492     -0.002488
     -2.99643      5.53167      5.14628        -0.000923      0.001250     -0.004458
     -2.80985      7.91813      1.81270        -0.000075     -0.001353      0.002521
      0.92459      0.22779      6.36126         0.001072     -0.001278      0.004433
 -----------------------------------------------------------------------------------
    total drift:                                0.000022      0.000888      0.000017


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87761487 eV

  energy  without entropy=      -49.88253887  energy(sigma->0) =      -49.87925620
 
 d Force = 0.1128977E-03[ 0.554E-04, 0.170E-03]  d Energy = 0.1009385E-03 0.120E-04
 d Force =-0.3747602E+00[-0.380E+00,-0.370E+00]  d Ewald  =-0.2098502E+01 0.172E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  130.23: real time  131.44


----------------------------------------- Iteration   11(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.60: real time   15.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.34: real time   17.42

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.5072082E-03  (-0.5325120E-02)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0286165 magnetization 

 Broyden mixing:
  rms(total) = 0.14761E-01    rms(broyden)= 0.14760E-01
  rms(prec ) = 0.20309E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1872.27068555
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.51279387
  PAW double counting   =      9484.28075651    -9412.22118569
  entropy T*S    EENTRO =         0.00497073
  eigenvalues    EBANDS =      -337.61358882
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87812213 eV

  energy without entropy =      -49.88309286  energy(sigma->0) =      -49.87977904


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.41: real time   17.46
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.15: real time   19.21

 eigenvalue-minimisations  :  7792
 total energy-change (2. order) : 0.4404196E-03  (-0.2473270E-03)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0509215 magnetization 

 Broyden mixing:
  rms(total) = 0.60099E-02    rms(broyden)= 0.60098E-02
  rms(prec ) = 0.63508E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7809
  0.7809

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.17332258
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46804573
  PAW double counting   =      9484.75734925    -9412.72536573
  entropy T*S    EENTRO =         0.00490890
  eigenvalues    EBANDS =      -338.63811411
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768171 eV

  energy without entropy =      -49.88259061  energy(sigma->0) =      -49.87931801


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.65: real time   19.72
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.39: real time   21.47

 eigenvalue-minimisations  :  9152
 total energy-change (2. order) : 0.1005821E-05  (-0.9182768E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524772 magnetization 

 Broyden mixing:
  rms(total) = 0.39465E-02    rms(broyden)= 0.39463E-02
  rms(prec ) = 0.41235E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5132
  1.0380  1.9884

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.16267580
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46545840
  PAW double counting   =      9485.24754662    -9413.21596581
  entropy T*S    EENTRO =         0.00490770
  eigenvalues    EBANDS =      -338.64576863
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768070 eV

  energy without entropy =      -49.88258840  energy(sigma->0) =      -49.87931660


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.82: real time   17.87
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.56: real time   19.61

 eigenvalue-minimisations  :  8032
 total energy-change (2. order) : 0.6626960E-06  (-0.1514529E-05)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0525317 magnetization 

 Broyden mixing:
  rms(total) = 0.78879E-03    rms(broyden)= 0.78877E-03
  rms(prec ) = 0.83795E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4161
  2.3863  1.0058  0.8563

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.15029892
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46143302
  PAW double counting   =      9486.32477088    -9414.29142029
  entropy T*S    EENTRO =         0.00490144
  eigenvalues    EBANDS =      -338.65588298
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768004 eV

  energy without entropy =      -49.88258148  energy(sigma->0) =      -49.87931385


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   21.20: real time   21.27
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.95: real time   23.01

 eigenvalue-minimisations  : 10080
 total energy-change (2. order) :-0.1209104E-05  (-0.3228168E-06)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524193 magnetization 

 Broyden mixing:
  rms(total) = 0.26543E-03    rms(broyden)= 0.26520E-03
  rms(prec ) = 0.31042E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2596
  2.3299  1.0627  0.8229  0.8229

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.13914207
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46022417
  PAW double counting   =      9486.43402370    -9414.39906172
  entropy T*S    EENTRO =         0.00490202
  eigenvalues    EBANDS =      -338.66744415
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768125 eV

  energy without entropy =      -49.88258326  energy(sigma->0) =      -49.87931525


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.70: real time   15.74
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.44: real time   17.50

 eigenvalue-minimisations  :  6704
 total energy-change (2. order) : 0.2502802E-06  (-0.2596601E-07)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524355 magnetization 

 Broyden mixing:
  rms(total) = 0.17268E-03    rms(broyden)= 0.17265E-03
  rms(prec ) = 0.18701E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4163
  2.3180  1.7289  1.1052  1.1052  0.8243

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.13916737
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46035520
  PAW double counting   =      9486.35354735    -9414.31742727
  entropy T*S    EENTRO =         0.00490233
  eigenvalues    EBANDS =      -338.66870806
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768100 eV

  energy without entropy =      -49.88258333  energy(sigma->0) =      -49.87931511


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   7)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.37: real time   13.41
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.13: real time   15.18

 eigenvalue-minimisations  :  5216
 total energy-change (2. order) : 0.1111148E-06  (-0.6923984E-08)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524325 magnetization 

 Broyden mixing:
  rms(total) = 0.33092E-04    rms(broyden)= 0.33084E-04
  rms(prec ) = 0.37199E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4088
  2.3318  1.8821  1.4298  0.9767  0.9767  0.8556

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.14155317
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46052083
  PAW double counting   =      9486.32663709    -9414.28900791
  entropy T*S    EENTRO =         0.00490261
  eigenvalues    EBANDS =      -338.66799715
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768088 eV

  energy without entropy =      -49.88258349  energy(sigma->0) =      -49.87931509


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   8)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   12.74: real time   12.77
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.77: real time   12.81

 eigenvalue-minimisations  :  4848
 total energy-change (2. order) : 0.4266440E-07  (-0.1133166E-08)
 number of electron     120.0000048 magnetization 
 augmentation part       42.0524325 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.15698983
  Ewald energy   TEWEN  =     -8355.93774832
  -1/2 Hartree   DENC   =     -1871.14177964
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46054891
  PAW double counting   =      9486.32095466    -9414.28288539
  entropy T*S    EENTRO =         0.00490261
  eigenvalues    EBANDS =      -338.66823879
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768084 eV

  energy without entropy =      -49.88258345  energy(sigma->0) =      -49.87931504


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4581       2 -67.4581       3 -67.5463       4 -67.5081       5 -67.5374
       6 -67.5987       7 -67.5374       8 -67.5463       9 -67.5081      10 -58.8826
      11 -59.0088      12 -59.0088      13 -58.6999      14 -58.7484      15 -58.6999
      16 -58.7483
 
 
 
 E-fermi :   6.0180     XC(G=0): -10.7489     alpha+bet :-12.3656


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9230      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6550      2.00000
      5     -39.6547      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.9455      2.00000
      9      -0.6506      2.00000
     10      -0.1277      2.00000
     11       0.1681      2.00000
     12       0.2597      2.00000
     13       0.2910      2.00000
     14       0.4348      2.00000
     15       0.5333      2.00000
     16       0.6059      2.00000
     17       0.6317      2.00000
     18       0.6691      2.00000
     19       0.7429      2.00000
     20       0.8936      2.00000
     21       0.9402      2.00000
     22       1.0512      2.00000
     23       1.0975      2.00000
     24       1.1868      2.00000
     25       1.2191      2.00000
     26       1.2836      2.00000
     27       1.3133      2.00000
     28       1.5803      2.00000
     29       1.6513      2.00000
     30       1.7100      2.00000
     31       1.7392      2.00000
     32       1.7899      2.00000
     33       1.9199      2.00000
     34       1.9385      2.00000
     35       2.1487      2.00000
     36       2.1737      2.00000
     37       2.2733      2.00000
     38       2.3111      2.00000
     39       2.4460      2.00000
     40       2.5321      2.00000
     41       2.5852      2.00000
     42       2.6380      2.00000
     43       2.7229      2.00000
     44       2.8664      2.00000
     45       2.8735      2.00000
     46       2.9057      2.00000
     47       2.9986      2.00000
     48       3.0421      2.00000
     49       3.1012      2.00000
     50       3.1315      2.00000
     51       3.3282      2.00000
     52       3.3827      2.00000
     53       3.5004      2.00000
     54       3.5837      2.00000
     55       3.8920      2.00000
     56       4.0712      2.00000
     57       4.2294      2.00000
     58       4.2320      2.00000
     59       4.9486      2.00000
     60       5.6203      2.01662
     61       6.2791     -0.06912
     62       8.1961     -0.00000
     63       8.2929     -0.00000
     64       8.3237     -0.00000
     65       8.9339     -0.00000
     66       9.6712     -0.00000
     67      10.3842     -0.00000
     68      10.7404     -0.00000
     69      11.4791      0.00000
     70      11.7698      0.00000
     71      11.8243      0.00000
     72      12.0636      0.00000
     73      12.2713      0.00000
     74      12.3475      0.00000
     75      12.5138      0.00000
     76      12.7918      0.00000
     77      13.2959      0.00000
     78      13.6650      0.00000
     79      13.7925      0.00000
     80      14.6407      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6730      2.00000
      9      -0.5734      2.00000
     10      -0.2736      2.00000
     11       0.2603      2.00000
     12       0.2787      2.00000
     13       0.3872      2.00000
     14       0.4642      2.00000
     15       0.5986      2.00000
     16       0.6124      2.00000
     17       0.7303      2.00000
     18       0.8236      2.00000
     19       0.9097      2.00000
     20       0.9356      2.00000
     21       0.9731      2.00000
     22       1.0998      2.00000
     23       1.1164      2.00000
     24       1.1967      2.00000
     25       1.2484      2.00000
     26       1.3503      2.00000
     27       1.3801      2.00000
     28       1.4950      2.00000
     29       1.6256      2.00000
     30       1.6628      2.00000
     31       1.7522      2.00000
     32       1.8206      2.00000
     33       1.8537      2.00000
     34       2.0096      2.00000
     35       2.0313      2.00000
     36       2.1707      2.00000
     37       2.2526      2.00000
     38       2.3595      2.00000
     39       2.4543      2.00000
     40       2.5022      2.00000
     41       2.5632      2.00000
     42       2.6062      2.00000
     43       2.6835      2.00000
     44       2.7339      2.00000
     45       2.8024      2.00000
     46       2.8201      2.00000
     47       2.9232      2.00000
     48       3.0514      2.00000
     49       3.1133      2.00000
     50       3.1954      2.00000
     51       3.2379      2.00000
     52       3.2716      2.00000
     53       3.4173      2.00000
     54       3.6163      2.00000
     55       3.7116      2.00000
     56       3.8483      2.00000
     57       4.0955      2.00000
     58       4.5829      2.00000
     59       5.5104      2.00195
     60       6.2771     -0.06951
     61       6.7947     -0.00000
     62       7.1015     -0.00000
     63       7.7147     -0.00000
     64       8.1685     -0.00000
     65       8.5850     -0.00000
     66       8.7209     -0.00000
     67       9.6387     -0.00000
     68      10.2940     -0.00000
     69      10.6153     -0.00000
     70      10.6635     -0.00000
     71      11.1307     -0.00000
     72      11.7231      0.00000
     73      12.5541      0.00000
     74      12.9447      0.00000
     75      13.2301      0.00000
     76      13.2942      0.00000
     77      13.4798      0.00000
     78      13.8640      0.00000
     79      14.4506      0.00000
     80      14.7141      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0323      2.00000
      9      -0.4134      2.00000
     10      -0.1258      2.00000
     11       0.3207      2.00000
     12       0.4218      2.00000
     13       0.4991      2.00000
     14       0.5855      2.00000
     15       0.6465      2.00000
     16       0.7339      2.00000
     17       0.8382      2.00000
     18       0.9154      2.00000
     19       0.9957      2.00000
     20       1.0409      2.00000
     21       1.0748      2.00000
     22       1.1745      2.00000
     23       1.2281      2.00000
     24       1.2808      2.00000
     25       1.3113      2.00000
     26       1.3589      2.00000
     27       1.4542      2.00000
     28       1.5526      2.00000
     29       1.6041      2.00000
     30       1.7254      2.00000
     31       1.8112      2.00000
     32       1.8580      2.00000
     33       1.9578      2.00000
     34       2.0146      2.00000
     35       2.1090      2.00000
     36       2.1225      2.00000
     37       2.1870      2.00000
     38       2.2517      2.00000
     39       2.3064      2.00000
     40       2.4008      2.00000
     41       2.4884      2.00000
     42       2.5371      2.00000
     43       2.6549      2.00000
     44       2.6926      2.00000
     45       2.7443      2.00000
     46       2.7947      2.00000
     47       2.8396      2.00000
     48       2.9259      2.00000
     49       3.0128      2.00000
     50       3.0991      2.00000
     51       3.1425      2.00000
     52       3.2371      2.00000
     53       3.3626      2.00000
     54       3.4566      2.00000
     55       3.5796      2.00000
     56       3.8207      2.00000
     57       4.6141      2.00000
     58       5.0071      2.00000
     59       5.4460      2.00040
     60       5.7875      2.06913
     61       6.4808     -0.00510
     62       6.8364     -0.00000
     63       6.9837     -0.00000
     64       7.5282     -0.00000
     65       7.9950     -0.00000
     66       8.3433     -0.00000
     67       8.6917     -0.00000
     68       9.4233     -0.00000
     69       9.8037     -0.00000
     70      10.3548     -0.00000
     71      10.4756     -0.00000
     72      10.7901     -0.00000
     73      11.4098     -0.00000
     74      12.1871      0.00000
     75      13.1252      0.00000
     76      13.6872      0.00000
     77      13.7541      0.00000
     78      13.8810      0.00000
     79      14.2889      0.00000
     80      14.6905      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3906      2.00000
      9      -0.1099      2.00000
     10       0.0899      2.00000
     11       0.1632      2.00000
     12       0.4848      2.00000
     13       0.5087      2.00000
     14       0.5608      2.00000
     15       0.6343      2.00000
     16       0.8262      2.00000
     17       0.9180      2.00000
     18       0.9330      2.00000
     19       1.1120      2.00000
     20       1.1674      2.00000
     21       1.1832      2.00000
     22       1.2678      2.00000
     23       1.3705      2.00000
     24       1.3905      2.00000
     25       1.4066      2.00000
     26       1.4763      2.00000
     27       1.5163      2.00000
     28       1.6454      2.00000
     29       1.6834      2.00000
     30       1.7340      2.00000
     31       1.8021      2.00000
     32       1.9113      2.00000
     33       1.9542      2.00000
     34       2.0627      2.00000
     35       2.1456      2.00000
     36       2.1623      2.00000
     37       2.1836      2.00000
     38       2.2795      2.00000
     39       2.3147      2.00000
     40       2.3704      2.00000
     41       2.4631      2.00000
     42       2.4797      2.00000
     43       2.5490      2.00000
     44       2.6398      2.00000
     45       2.6726      2.00000
     46       2.7591      2.00000
     47       2.8019      2.00000
     48       2.8400      2.00000
     49       2.9226      2.00000
     50       3.0616      2.00000
     51       3.1632      2.00000
     52       3.2700      2.00000
     53       3.3646      2.00000
     54       3.5551      2.00000
     55       3.6402      2.00000
     56       3.8228      2.00000
     57       4.1482      2.00000
     58       4.2956      2.00000
     59       5.1354      2.00000
     60       5.8671      1.95470
     61       6.0500      0.73228
     62       6.1729      0.03341
     63       6.8178     -0.00000
     64       7.0778     -0.00000
     65       7.6701     -0.00000
     66       8.2197     -0.00000
     67       8.4856     -0.00000
     68       8.8324     -0.00000
     69       9.4841     -0.00000
     70       9.7736     -0.00000
     71      10.5269     -0.00000
     72      10.9671     -0.00000
     73      11.1420     -0.00000
     74      11.7832      0.00000
     75      12.2832      0.00000
     76      12.7611      0.00000
     77      13.4120      0.00000
     78      13.7779      0.00000
     79      13.9573      0.00000
     80      14.6464      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6035      2.00000
      8      -0.4451      2.00000
      9      -0.1797      2.00000
     10       0.0366      2.00000
     11       0.1371      2.00000
     12       0.5032      2.00000
     13       0.5263      2.00000
     14       0.7035      2.00000
     15       0.7414      2.00000
     16       0.8739      2.00000
     17       0.9134      2.00000
     18       0.9893      2.00000
     19       1.0669      2.00000
     20       1.0865      2.00000
     21       1.2402      2.00000
     22       1.2804      2.00000
     23       1.3283      2.00000
     24       1.3853      2.00000
     25       1.3940      2.00000
     26       1.4459      2.00000
     27       1.4926      2.00000
     28       1.6688      2.00000
     29       1.7017      2.00000
     30       1.7461      2.00000
     31       1.8032      2.00000
     32       1.8774      2.00000
     33       1.9057      2.00000
     34       2.0431      2.00000
     35       2.0813      2.00000
     36       2.1444      2.00000
     37       2.1612      2.00000
     38       2.2297      2.00000
     39       2.3382      2.00000
     40       2.4417      2.00000
     41       2.4638      2.00000
     42       2.5414      2.00000
     43       2.5836      2.00000
     44       2.6257      2.00000
     45       2.6776      2.00000
     46       2.7335      2.00000
     47       2.8080      2.00000
     48       2.8490      2.00000
     49       2.9097      2.00000
     50       3.0981      2.00000
     51       3.1810      2.00000
     52       3.2063      2.00000
     53       3.5186      2.00000
     54       3.5516      2.00000
     55       3.7427      2.00000
     56       4.2034      2.00000
     57       4.3931      2.00000
     58       4.5659      2.00000
     59       4.7233      2.00000
     60       5.1860      2.00000
     61       5.6164      2.01558
     62       6.0835      0.47717
     63       6.1007      0.36154
     64       7.1048     -0.00000
     65       8.2648     -0.00000
     66       8.3995     -0.00000
     67       8.9063     -0.00000
     68       9.1573     -0.00000
     69       9.2524     -0.00000
     70       9.9610     -0.00000
     71      10.4656     -0.00000
     72      10.6006     -0.00000
     73      11.3554     -0.00000
     74      11.9176      0.00000
     75      12.5763      0.00000
     76      13.1626      0.00000
     77      13.5197      0.00000
     78      13.8749      0.00000
     79      14.1303      0.00000
     80      14.4539      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1629      2.00000
      9      -0.4811      2.00000
     10       0.0240      2.00000
     11       0.1480      2.00000
     12       0.5194      2.00000
     13       0.5878      2.00000
     14       0.6489      2.00000
     15       0.6875      2.00000
     16       0.8193      2.00000
     17       0.8354      2.00000
     18       0.8703      2.00000
     19       0.9583      2.00000
     20       1.0874      2.00000
     21       1.1299      2.00000
     22       1.1856      2.00000
     23       1.2092      2.00000
     24       1.3058      2.00000
     25       1.3390      2.00000
     26       1.3945      2.00000
     27       1.4443      2.00000
     28       1.4774      2.00000
     29       1.6377      2.00000
     30       1.7367      2.00000
     31       1.7608      2.00000
     32       1.8389      2.00000
     33       1.9006      2.00000
     34       1.9593      2.00000
     35       2.0564      2.00000
     36       2.1594      2.00000
     37       2.2243      2.00000
     38       2.2957      2.00000
     39       2.3608      2.00000
     40       2.4389      2.00000
     41       2.5178      2.00000
     42       2.5563      2.00000
     43       2.6036      2.00000
     44       2.6574      2.00000
     45       2.7686      2.00000
     46       2.7928      2.00000
     47       2.8761      2.00000
     48       2.8882      2.00000
     49       3.0459      2.00000
     50       3.0906      2.00000
     51       3.1365      2.00000
     52       3.2109      2.00000
     53       3.3206      2.00000
     54       3.5297      2.00000
     55       3.6993      2.00000
     56       4.0993      2.00000
     57       4.4553      2.00000
     58       4.8462      2.00000
     59       5.4953      2.00138
     60       5.7015      2.04777
     61       6.0826      0.48334
     62       6.3632     -0.03486
     63       6.9703     -0.00000
     64       7.1841     -0.00000
     65       7.5822     -0.00000
     66       8.2205     -0.00000
     67       8.9833     -0.00000
     68       9.2529     -0.00000
     69      10.2374     -0.00000
     70      11.0385     -0.00000
     71      11.3185     -0.00000
     72      11.6837      0.00000
     73      12.1225      0.00000
     74      12.3682      0.00000
     75      12.7896      0.00000
     76      13.4248      0.00000
     77      13.6314      0.00000
     78      13.9012      0.00000
     79      14.2908      0.00000
     80      14.4142      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.7572      2.00000
      9      -0.6357      2.00000
     10       0.0411      2.00000
     11       0.1784      2.00000
     12       0.3281      2.00000
     13       0.3374      2.00000
     14       0.4036      2.00000
     15       0.6249      2.00000
     16       0.6438      2.00000
     17       0.7338      2.00000
     18       0.8127      2.00000
     19       0.8847      2.00000
     20       0.9081      2.00000
     21       1.0598      2.00000
     22       1.0659      2.00000
     23       1.1501      2.00000
     24       1.2177      2.00000
     25       1.2772      2.00000
     26       1.3014      2.00000
     27       1.3324      2.00000
     28       1.4613      2.00000
     29       1.6624      2.00000
     30       1.6806      2.00000
     31       1.7690      2.00000
     32       1.8287      2.00000
     33       1.8998      2.00000
     34       1.9230      2.00000
     35       2.0790      2.00000
     36       2.1538      2.00000
     37       2.2823      2.00000
     38       2.3319      2.00000
     39       2.3811      2.00000
     40       2.4852      2.00000
     41       2.5203      2.00000
     42       2.6173      2.00000
     43       2.7387      2.00000
     44       2.7954      2.00000
     45       2.8246      2.00000
     46       2.8710      2.00000
     47       2.9332      2.00000
     48       3.0232      2.00000
     49       3.0915      2.00000
     50       3.1244      2.00000
     51       3.2092      2.00000
     52       3.2654      2.00000
     53       3.4359      2.00000
     54       3.6779      2.00000
     55       3.7910      2.00000
     56       3.9468      2.00000
     57       4.1215      2.00000
     58       4.8572      2.00000
     59       5.0456      2.00000
     60       5.5614      2.00578
     61       6.7208     -0.00001
     62       7.1753     -0.00000
     63       7.7279     -0.00000
     64       8.2282     -0.00000
     65       8.7056     -0.00000
     66       8.9811     -0.00000
     67       9.3887     -0.00000
     68      10.1907     -0.00000
     69      10.7662     -0.00000
     70      10.8258     -0.00000
     71      11.4136     -0.00000
     72      12.4742      0.00000
     73      12.8977      0.00000
     74      13.0719      0.00000
     75      13.2710      0.00000
     76      13.4428      0.00000
     77      13.8115      0.00000
     78      13.8797      0.00000
     79      14.3106      0.00000
     80      14.4215      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9230      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.8649      2.00000
      9      -0.8979      2.00000
     10      -0.0318      2.00000
     11       0.1613      2.00000
     12       0.2075      2.00000
     13       0.2930      2.00000
     14       0.4279      2.00000
     15       0.5813      2.00000
     16       0.6103      2.00000
     17       0.6214      2.00000
     18       0.6868      2.00000
     19       0.7728      2.00000
     20       0.8418      2.00000
     21       0.9338      2.00000
     22       1.0377      2.00000
     23       1.0771      2.00000
     24       1.2492      2.00000
     25       1.2983      2.00000
     26       1.3948      2.00000
     27       1.4192      2.00000
     28       1.5884      2.00000
     29       1.6072      2.00000
     30       1.6459      2.00000
     31       1.7012      2.00000
     32       1.8028      2.00000
     33       1.8841      2.00000
     34       1.9419      2.00000
     35       2.1648      2.00000
     36       2.2228      2.00000
     37       2.2289      2.00000
     38       2.2921      2.00000
     39       2.4416      2.00000
     40       2.4992      2.00000
     41       2.6191      2.00000
     42       2.6591      2.00000
     43       2.6675      2.00000
     44       2.8167      2.00000
     45       2.8386      2.00000
     46       2.8824      2.00000
     47       2.9059      2.00000
     48       3.0582      2.00000
     49       3.1074      2.00000
     50       3.1479      2.00000
     51       3.3202      2.00000
     52       3.3645      2.00000
     53       3.4562      2.00000
     54       3.6324      2.00000
     55       3.9563      2.00000
     56       4.2218      2.00000
     57       4.2310      2.00000
     58       4.3463      2.00000
     59       4.8913      2.00000
     60       6.2800     -0.06892
     61       6.4890     -0.00431
     62       6.9216     -0.00000
     63       7.2048     -0.00000
     64       8.8176     -0.00000
     65       9.5527     -0.00000
     66       9.7069     -0.00000
     67       9.8988     -0.00000
     68      10.9843     -0.00000
     69      11.1976     -0.00000
     70      11.2897     -0.00000
     71      11.4573     -0.00000
     72      12.3125      0.00000
     73      12.6939      0.00000
     74      13.1359      0.00000
     75      13.3982      0.00000
     76      13.5257      0.00000
     77      13.8214      0.00000
     78      13.9894      0.00000
     79      14.2717      0.00000
     80      14.5279      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.5843      2.00000
      9      -0.8177      2.00000
     10      -0.1482      2.00000
     11       0.2249      2.00000
     12       0.2632      2.00000
     13       0.4225      2.00000
     14       0.5020      2.00000
     15       0.5743      2.00000
     16       0.6190      2.00000
     17       0.6863      2.00000
     18       0.7851      2.00000
     19       0.8859      2.00000
     20       0.9579      2.00000
     21       0.9819      2.00000
     22       1.0517      2.00000
     23       1.1540      2.00000
     24       1.2151      2.00000
     25       1.2934      2.00000
     26       1.3688      2.00000
     27       1.3996      2.00000
     28       1.5295      2.00000
     29       1.5622      2.00000
     30       1.6179      2.00000
     31       1.6695      2.00000
     32       1.8865      2.00000
     33       1.9658      2.00000
     34       2.0182      2.00000
     35       2.1579      2.00000
     36       2.1841      2.00000
     37       2.2655      2.00000
     38       2.3141      2.00000
     39       2.3620      2.00000
     40       2.3860      2.00000
     41       2.4461      2.00000
     42       2.6525      2.00000
     43       2.6688      2.00000
     44       2.7733      2.00000
     45       2.7900      2.00000
     46       2.8394      2.00000
     47       2.9817      2.00000
     48       3.0082      2.00000
     49       3.1153      2.00000
     50       3.1771      2.00000
     51       3.1867      2.00000
     52       3.3052      2.00000
     53       3.4562      2.00000
     54       3.6456      2.00000
     55       3.7000      2.00000
     56       3.8884      2.00000
     57       4.4353      2.00000
     58       4.9013      2.00000
     59       5.5418      2.00388
     60       5.8542      1.98943
     61       6.5061     -0.00300
     62       7.0387     -0.00000
     63       7.5233     -0.00000
     64       8.0687     -0.00000
     65       8.3159     -0.00000
     66       8.9203     -0.00000
     67       9.4003     -0.00000
     68       9.6678     -0.00000
     69      10.4619     -0.00000
     70      12.0043      0.00000
     71      12.3057      0.00000
     72      12.3953      0.00000
     73      12.5541      0.00000
     74      12.7221      0.00000
     75      12.8523      0.00000
     76      13.3205      0.00000
     77      13.6030      0.00000
     78      13.9185      0.00000
     79      14.0038      0.00000
     80      14.4183      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0282      2.00000
      9      -0.3863      2.00000
     10      -0.1350      2.00000
     11       0.3198      2.00000
     12       0.3973      2.00000
     13       0.4938      2.00000
     14       0.5318      2.00000
     15       0.6715      2.00000
     16       0.7785      2.00000
     17       0.8124      2.00000
     18       0.9313      2.00000
     19       0.9398      2.00000
     20       1.0248      2.00000
     21       1.0723      2.00000
     22       1.1627      2.00000
     23       1.2168      2.00000
     24       1.3052      2.00000
     25       1.3511      2.00000
     26       1.4107      2.00000
     27       1.4760      2.00000
     28       1.5460      2.00000
     29       1.6111      2.00000
     30       1.7502      2.00000
     31       1.8231      2.00000
     32       1.8848      2.00000
     33       1.9220      2.00000
     34       1.9866      2.00000
     35       2.0377      2.00000
     36       2.0803      2.00000
     37       2.1348      2.00000
     38       2.2127      2.00000
     39       2.3095      2.00000
     40       2.4626      2.00000
     41       2.5001      2.00000
     42       2.5623      2.00000
     43       2.6198      2.00000
     44       2.6804      2.00000
     45       2.7946      2.00000
     46       2.8217      2.00000
     47       2.8735      2.00000
     48       2.9219      2.00000
     49       2.9716      2.00000
     50       3.0819      2.00000
     51       3.1693      2.00000
     52       3.2465      2.00000
     53       3.2824      2.00000
     54       3.4687      2.00000
     55       3.6062      2.00000
     56       4.0056      2.00000
     57       4.4730      2.00000
     58       5.2568      2.00000
     59       5.6781      2.03716
     60       5.9000      1.83067
     61       6.2901     -0.06620
     62       6.5234     -0.00205
     63       6.6978     -0.00002
     64       7.4410     -0.00000
     65       7.6870     -0.00000
     66       8.1027     -0.00000
     67       9.1357     -0.00000
     68       9.8221     -0.00000
     69       9.9506     -0.00000
     70      10.1213     -0.00000
     71      11.0988     -0.00000
     72      11.1858     -0.00000
     73      11.7643      0.00000
     74      12.0699      0.00000
     75      12.4186      0.00000
     76      12.7691      0.00000
     77      13.2882      0.00000
     78      13.6704      0.00000
     79      14.0653      0.00000
     80      14.4123      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3911      2.00000
      9      -0.0876      2.00000
     10       0.0685      2.00000
     11       0.1447      2.00000
     12       0.4146      2.00000
     13       0.5167      2.00000
     14       0.6049      2.00000
     15       0.7133      2.00000
     16       0.8506      2.00000
     17       0.9033      2.00000
     18       0.9132      2.00000
     19       1.0941      2.00000
     20       1.1501      2.00000
     21       1.1818      2.00000
     22       1.2449      2.00000
     23       1.3137      2.00000
     24       1.3981      2.00000
     25       1.4593      2.00000
     26       1.4911      2.00000
     27       1.5950      2.00000
     28       1.6668      2.00000
     29       1.7099      2.00000
     30       1.7300      2.00000
     31       1.8347      2.00000
     32       1.8774      2.00000
     33       1.9583      2.00000
     34       1.9797      2.00000
     35       2.0709      2.00000
     36       2.1201      2.00000
     37       2.2323      2.00000
     38       2.3001      2.00000
     39       2.3467      2.00000
     40       2.3871      2.00000
     41       2.4547      2.00000
     42       2.5107      2.00000
     43       2.5250      2.00000
     44       2.6243      2.00000
     45       2.6900      2.00000
     46       2.7291      2.00000
     47       2.7922      2.00000
     48       2.8437      2.00000
     49       2.8708      2.00000
     50       3.0681      2.00000
     51       3.1393      2.00000
     52       3.2685      2.00000
     53       3.3250      2.00000
     54       3.4796      2.00000
     55       3.5866      2.00000
     56       3.7320      2.00000
     57       4.4120      2.00000
     58       4.7729      2.00000
     59       5.1254      2.00000
     60       5.6607      2.02992
     61       5.9434      1.58486
     62       6.2113     -0.04266
     63       6.5167     -0.00238
     64       6.7323     -0.00001
     65       7.7441     -0.00000
     66       8.0514     -0.00000
     67       8.5165     -0.00000
     68       9.3053     -0.00000
     69       9.7434     -0.00000
     70      10.1802     -0.00000
     71      10.8569     -0.00000
     72      10.9697     -0.00000
     73      11.3723     -0.00000
     74      11.5897      0.00000
     75      12.1282      0.00000
     76      12.4590      0.00000
     77      13.1186      0.00000
     78      13.4190      0.00000
     79      14.0176      0.00000
     80      14.2809      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6035      2.00000
      8      -0.4419      2.00000
      9      -0.1559      2.00000
     10      -0.0397      2.00000
     11       0.1358      2.00000
     12       0.5472      2.00000
     13       0.6649      2.00000
     14       0.6994      2.00000
     15       0.7284      2.00000
     16       0.7966      2.00000
     17       0.8831      2.00000
     18       0.9532      2.00000
     19       1.0821      2.00000
     20       1.1047      2.00000
     21       1.1361      2.00000
     22       1.2610      2.00000
     23       1.3347      2.00000
     24       1.3663      2.00000
     25       1.3896      2.00000
     26       1.5408      2.00000
     27       1.5827      2.00000
     28       1.6671      2.00000
     29       1.7139      2.00000
     30       1.7623      2.00000
     31       1.8141      2.00000
     32       1.8554      2.00000
     33       1.9599      2.00000
     34       1.9996      2.00000
     35       2.0913      2.00000
     36       2.1594      2.00000
     37       2.2388      2.00000
     38       2.3248      2.00000
     39       2.3377      2.00000
     40       2.4474      2.00000
     41       2.4670      2.00000
     42       2.4942      2.00000
     43       2.5193      2.00000
     44       2.5637      2.00000
     45       2.5792      2.00000
     46       2.7217      2.00000
     47       2.7564      2.00000
     48       2.8118      2.00000
     49       2.8803      2.00000
     50       3.1249      2.00000
     51       3.1606      2.00000
     52       3.2866      2.00000
     53       3.5087      2.00000
     54       3.5710      2.00000
     55       3.6447      2.00000
     56       4.0682      2.00000
     57       4.4083      2.00000
     58       4.5145      2.00000
     59       5.0063      2.00000
     60       5.1471      2.00000
     61       5.8138      2.05431
     62       6.1409      0.14716
     63       6.5079     -0.00289
     64       7.1539     -0.00000
     65       7.2571     -0.00000
     66       7.7659     -0.00000
     67       8.3262     -0.00000
     68       9.5490     -0.00000
     69       9.9815     -0.00000
     70      10.5783     -0.00000
     71      11.0010     -0.00000
     72      11.2550     -0.00000
     73      11.7940      0.00000
     74      12.0326      0.00000
     75      12.2589      0.00000
     76      12.8747      0.00000
     77      13.1415      0.00000
     78      13.3145      0.00000
     79      14.1359      0.00000
     80      14.3267      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.2087      2.00000
      9      -0.3455      2.00000
     10      -0.0781      2.00000
     11       0.1055      2.00000
     12       0.5478      2.00000
     13       0.5723      2.00000
     14       0.6368      2.00000
     15       0.7126      2.00000
     16       0.8439      2.00000
     17       0.8760      2.00000
     18       0.9441      2.00000
     19       1.0054      2.00000
     20       1.0824      2.00000
     21       1.1106      2.00000
     22       1.1723      2.00000
     23       1.2435      2.00000
     24       1.2613      2.00000
     25       1.3197      2.00000
     26       1.3846      2.00000
     27       1.3922      2.00000
     28       1.5489      2.00000
     29       1.6739      2.00000
     30       1.6990      2.00000
     31       1.8120      2.00000
     32       1.8831      2.00000
     33       1.9290      2.00000
     34       2.0043      2.00000
     35       2.0185      2.00000
     36       2.0543      2.00000
     37       2.1587      2.00000
     38       2.2032      2.00000
     39       2.3965      2.00000
     40       2.4377      2.00000
     41       2.4914      2.00000
     42       2.5388      2.00000
     43       2.6140      2.00000
     44       2.6588      2.00000
     45       2.7675      2.00000
     46       2.8535      2.00000
     47       2.8831      2.00000
     48       2.9203      2.00000
     49       3.0204      2.00000
     50       3.0533      2.00000
     51       3.1020      2.00000
     52       3.1891      2.00000
     53       3.2825      2.00000
     54       3.5259      2.00000
     55       3.6509      2.00000
     56       4.0016      2.00000
     57       4.3342      2.00000
     58       5.3228      2.00001
     59       5.4747      2.00084
     60       5.6665      2.03227
     61       5.8399      2.01938
     62       6.6329     -0.00012
     63       6.9544     -0.00000
     64       7.4521     -0.00000
     65       7.8304     -0.00000
     66       7.8966     -0.00000
     67       8.4550     -0.00000
     68       9.7045     -0.00000
     69       9.9864     -0.00000
     70      10.4177     -0.00000
     71      11.7489      0.00000
     72      12.2453      0.00000
     73      12.5557      0.00000
     74      12.8843      0.00000
     75      13.0865      0.00000
     76      13.3892      0.00000
     77      13.4543      0.00000
     78      13.5410      0.00000
     79      13.8822      0.00000
     80      14.1038      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.7444      2.00000
      9      -0.6710      2.00000
     10       0.0114      2.00000
     11       0.2316      2.00000
     12       0.3179      2.00000
     13       0.3412      2.00000
     14       0.4023      2.00000
     15       0.6261      2.00000
     16       0.6396      2.00000
     17       0.7181      2.00000
     18       0.8107      2.00000
     19       0.8761      2.00000
     20       0.9563      2.00000
     21       1.0183      2.00000
     22       1.0850      2.00000
     23       1.1519      2.00000
     24       1.2281      2.00000
     25       1.2595      2.00000
     26       1.3331      2.00000
     27       1.3992      2.00000
     28       1.4384      2.00000
     29       1.6037      2.00000
     30       1.6790      2.00000
     31       1.7222      2.00000
     32       1.8220      2.00000
     33       1.8751      2.00000
     34       1.9551      2.00000
     35       2.1291      2.00000
     36       2.1927      2.00000
     37       2.2545      2.00000
     38       2.3079      2.00000
     39       2.3965      2.00000
     40       2.5126      2.00000
     41       2.5364      2.00000
     42       2.6090      2.00000
     43       2.7202      2.00000
     44       2.7582      2.00000
     45       2.8010      2.00000
     46       2.8823      2.00000
     47       2.9634      2.00000
     48       2.9955      2.00000
     49       3.1177      2.00000
     50       3.1573      2.00000
     51       3.2088      2.00000
     52       3.2864      2.00000
     53       3.4326      2.00000
     54       3.6290      2.00000
     55       3.7784      2.00000
     56       3.9502      2.00000
     57       4.1557      2.00000
     58       4.5078      2.00000
     59       5.2768      2.00000
     60       6.0555      0.68821
     61       6.5830     -0.00048
     62       6.9919     -0.00000
     63       7.7945     -0.00000
     64       8.0703     -0.00000
     65       8.3341     -0.00000
     66       8.7188     -0.00000
     67       9.6830     -0.00000
     68      10.4545     -0.00000
     69      10.9101     -0.00000
     70      11.0298     -0.00000
     71      11.3060     -0.00000
     72      12.5042      0.00000
     73      12.8817      0.00000
     74      13.0349      0.00000
     75      13.1634      0.00000
     76      13.5013      0.00000
     77      13.5896      0.00000
     78      13.9422      0.00000
     79      14.3520      0.00000
     80      14.4782      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.8573      2.00000
      9      -0.9342      2.00000
     10       0.0382      2.00000
     11       0.1691      2.00000
     12       0.2042      2.00000
     13       0.2875      2.00000
     14       0.4211      2.00000
     15       0.5928      2.00000
     16       0.6105      2.00000
     17       0.6216      2.00000
     18       0.6890      2.00000
     19       0.7214      2.00000
     20       0.8408      2.00000
     21       0.9476      2.00000
     22       1.0864      2.00000
     23       1.1021      2.00000
     24       1.1996      2.00000
     25       1.2689      2.00000
     26       1.3514      2.00000
     27       1.3656      2.00000
     28       1.5489      2.00000
     29       1.6490      2.00000
     30       1.6910      2.00000
     31       1.7081      2.00000
     32       1.7988      2.00000
     33       1.8652      2.00000
     34       1.8954      2.00000
     35       2.1228      2.00000
     36       2.2159      2.00000
     37       2.2521      2.00000
     38       2.3844      2.00000
     39       2.4319      2.00000
     40       2.5248      2.00000
     41       2.5895      2.00000
     42       2.6196      2.00000
     43       2.6773      2.00000
     44       2.8454      2.00000
     45       2.8681      2.00000
     46       2.9833      2.00000
     47       3.0462      2.00000
     48       3.0535      2.00000
     49       3.1263      2.00000
     50       3.1874      2.00000
     51       3.2755      2.00000
     52       3.3129      2.00000
     53       3.5395      2.00000
     54       3.6469      2.00000
     55       3.9162      2.00000
     56       3.9392      2.00000
     57       4.2158      2.00000
     58       4.4067      2.00000
     59       5.0010      2.00000
     60       5.5984      2.01151
     61       6.2225     -0.05469
     62       7.7479     -0.00000
     63       8.1773     -0.00000
     64       8.6155     -0.00000
     65       8.6427     -0.00000
     66       9.7764     -0.00000
     67      10.3941     -0.00000
     68      10.5958     -0.00000
     69      10.8098     -0.00000
     70      11.2498     -0.00000
     71      11.7419      0.00000
     72      12.4688      0.00000
     73      12.7310      0.00000
     74      12.8280      0.00000
     75      13.1419      0.00000
     76      13.2470      0.00000
     77      13.6932      0.00000
     78      14.4251      0.00000
     79      14.4886      0.00000
     80      14.5541      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6549      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6559      2.00000
      9      -0.6529      2.00000
     10      -0.2077      2.00000
     11       0.2442      2.00000
     12       0.2905      2.00000
     13       0.4334      2.00000
     14       0.4376      2.00000
     15       0.5889      2.00000
     16       0.6318      2.00000
     17       0.7244      2.00000
     18       0.7804      2.00000
     19       0.8735      2.00000
     20       0.9376      2.00000
     21       0.9829      2.00000
     22       1.0796      2.00000
     23       1.1429      2.00000
     24       1.1773      2.00000
     25       1.2522      2.00000
     26       1.3626      2.00000
     27       1.3755      2.00000
     28       1.4938      2.00000
     29       1.6209      2.00000
     30       1.6441      2.00000
     31       1.7430      2.00000
     32       1.8748      2.00000
     33       1.8954      2.00000
     34       1.9967      2.00000
     35       2.0783      2.00000
     36       2.1776      2.00000
     37       2.2373      2.00000
     38       2.3188      2.00000
     39       2.4009      2.00000
     40       2.4732      2.00000
     41       2.5647      2.00000
     42       2.6315      2.00000
     43       2.7209      2.00000
     44       2.7631      2.00000
     45       2.8197      2.00000
     46       2.8517      2.00000
     47       2.9303      2.00000
     48       3.0201      2.00000
     49       3.0791      2.00000
     50       3.1393      2.00000
     51       3.2262      2.00000
     52       3.2573      2.00000
     53       3.5451      2.00000
     54       3.6705      2.00000
     55       3.7411      2.00000
     56       3.8116      2.00000
     57       4.0977      2.00000
     58       4.9366      2.00000
     59       5.0783      2.00000
     60       5.8226      2.04506
     61       6.8078     -0.00000
     62       7.1820     -0.00000
     63       7.7737     -0.00000
     64       8.6848     -0.00000
     65       8.9427     -0.00000
     66       9.1283     -0.00000
     67       9.4557     -0.00000
     68       9.6214     -0.00000
     69       9.7894     -0.00000
     70      10.9356     -0.00000
     71      11.5637      0.00000
     72      12.1324      0.00000
     73      12.3273      0.00000
     74      12.4770      0.00000
     75      13.1597      0.00000
     76      13.2998      0.00000
     77      13.6940      0.00000
     78      14.0797      0.00000
     79      14.3990      0.00000
     80      14.5343      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0756      2.00000
      9      -0.2679      2.00000
     10      -0.2113      2.00000
     11       0.2611      2.00000
     12       0.4255      2.00000
     13       0.5231      2.00000
     14       0.5584      2.00000
     15       0.6787      2.00000
     16       0.7893      2.00000
     17       0.8349      2.00000
     18       0.9123      2.00000
     19       1.0029      2.00000
     20       1.0926      2.00000
     21       1.1010      2.00000
     22       1.1470      2.00000
     23       1.1989      2.00000
     24       1.2295      2.00000
     25       1.2768      2.00000
     26       1.3578      2.00000
     27       1.4943      2.00000
     28       1.5802      2.00000
     29       1.6355      2.00000
     30       1.6624      2.00000
     31       1.8194      2.00000
     32       1.8385      2.00000
     33       1.9961      2.00000
     34       2.0041      2.00000
     35       2.0652      2.00000
     36       2.1692      2.00000
     37       2.2045      2.00000
     38       2.2453      2.00000
     39       2.2972      2.00000
     40       2.3722      2.00000
     41       2.5072      2.00000
     42       2.6274      2.00000
     43       2.6550      2.00000
     44       2.7192      2.00000
     45       2.7595      2.00000
     46       2.8027      2.00000
     47       2.8379      2.00000
     48       2.9310      2.00000
     49       2.9523      2.00000
     50       3.0942      2.00000
     51       3.1186      2.00000
     52       3.2078      2.00000
     53       3.4114      2.00000
     54       3.4943      2.00000
     55       3.5844      2.00000
     56       3.6850      2.00000
     57       4.4228      2.00000
     58       4.7951      2.00000
     59       5.4310      2.00027
     60       5.9921      1.21670
     61       6.6038     -0.00028
     62       6.9418     -0.00000
     63       7.0308     -0.00000
     64       7.3308     -0.00000
     65       8.2590     -0.00000
     66       8.5021     -0.00000
     67       8.8255     -0.00000
     68       9.3387     -0.00000
     69       9.9718     -0.00000
     70      10.1789     -0.00000
     71      10.3251     -0.00000
     72      11.0772     -0.00000
     73      11.7740      0.00000
     74      12.1325      0.00000
     75      12.3062      0.00000
     76      12.9686      0.00000
     77      13.7691      0.00000
     78      13.8206      0.00000
     79      14.0838      0.00000
     80      14.2200      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3657      2.00000
      9      -0.1430      2.00000
     10       0.0789      2.00000
     11       0.1465      2.00000
     12       0.4567      2.00000
     13       0.5642      2.00000
     14       0.6363      2.00000
     15       0.6877      2.00000
     16       0.7347      2.00000
     17       0.8922      2.00000
     18       0.9473      2.00000
     19       1.0639      2.00000
     20       1.1469      2.00000
     21       1.1781      2.00000
     22       1.2165      2.00000
     23       1.3226      2.00000
     24       1.3784      2.00000
     25       1.4707      2.00000
     26       1.5346      2.00000
     27       1.5647      2.00000
     28       1.6346      2.00000
     29       1.7127      2.00000
     30       1.7815      2.00000
     31       1.8474      2.00000
     32       1.9069      2.00000
     33       1.9408      2.00000
     34       2.0881      2.00000
     35       2.1466      2.00000
     36       2.1536      2.00000
     37       2.2496      2.00000
     38       2.2612      2.00000
     39       2.3335      2.00000
     40       2.3737      2.00000
     41       2.4169      2.00000
     42       2.5111      2.00000
     43       2.5612      2.00000
     44       2.5950      2.00000
     45       2.6148      2.00000
     46       2.6873      2.00000
     47       2.7719      2.00000
     48       2.7928      2.00000
     49       2.8763      2.00000
     50       3.0706      2.00000
     51       3.1286      2.00000
     52       3.1852      2.00000
     53       3.3650      2.00000
     54       3.5320      2.00000
     55       3.6263      2.00000
     56       3.8839      2.00000
     57       4.3681      2.00000
     58       4.7243      2.00000
     59       5.0980      2.00000
     60       5.6341      2.02057
     61       5.6897      2.04235
     62       6.1941     -0.01577
     63       6.6465     -0.00008
     64       7.0066     -0.00000
     65       7.5027     -0.00000
     66       7.8710     -0.00000
     67       8.9919     -0.00000
     68       9.5983     -0.00000
     69       9.8891     -0.00000
     70      10.0846     -0.00000
     71      10.4706     -0.00000
     72      10.7306     -0.00000
     73      11.0878     -0.00000
     74      11.6132      0.00000
     75      12.2455      0.00000
     76      12.9581      0.00000
     77      13.1746      0.00000
     78      13.8976      0.00000
     79      13.9149      0.00000
     80      14.0546      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4504      2.00000
      9      -0.1481      2.00000
     10      -0.0133      2.00000
     11       0.1306      2.00000
     12       0.5353      2.00000
     13       0.5740      2.00000
     14       0.6452      2.00000
     15       0.7557      2.00000
     16       0.8622      2.00000
     17       0.9513      2.00000
     18       0.9992      2.00000
     19       1.0508      2.00000
     20       1.1069      2.00000
     21       1.1672      2.00000
     22       1.2236      2.00000
     23       1.3144      2.00000
     24       1.3924      2.00000
     25       1.4716      2.00000
     26       1.5028      2.00000
     27       1.5474      2.00000
     28       1.5986      2.00000
     29       1.7144      2.00000
     30       1.7548      2.00000
     31       1.7940      2.00000
     32       1.8962      2.00000
     33       1.9571      2.00000
     34       1.9696      2.00000
     35       2.0535      2.00000
     36       2.1790      2.00000
     37       2.1909      2.00000
     38       2.2875      2.00000
     39       2.3278      2.00000
     40       2.3555      2.00000
     41       2.4749      2.00000
     42       2.4952      2.00000
     43       2.5846      2.00000
     44       2.6149      2.00000
     45       2.6771      2.00000
     46       2.7685      2.00000
     47       2.8008      2.00000
     48       2.8132      2.00000
     49       2.8995      2.00000
     50       3.1218      2.00000
     51       3.1756      2.00000
     52       3.2306      2.00000
     53       3.5153      2.00000
     54       3.5708      2.00000
     55       3.6841      2.00000
     56       3.8780      2.00000
     57       4.4434      2.00000
     58       4.5815      2.00000
     59       4.9760      2.00000
     60       5.4229      2.00021
     61       5.7541      2.06850
     62       5.8218      2.04604
     63       6.7130     -0.00001
     64       6.9900     -0.00000
     65       7.2898     -0.00000
     66       7.5118     -0.00000
     67       9.0246     -0.00000
     68       9.4023     -0.00000
     69      10.1088     -0.00000
     70      10.5181     -0.00000
     71      10.8596     -0.00000
     72      11.2109     -0.00000
     73      11.4033     -0.00000
     74      11.6809      0.00000
     75      12.0174      0.00000
     76      12.6504      0.00000
     77      13.4588      0.00000
     78      13.5623      0.00000
     79      14.0937      0.00000
     80      14.1465      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1379      2.00000
      9      -0.5375      2.00000
     10       0.1049      2.00000
     11       0.1272      2.00000
     12       0.5068      2.00000
     13       0.5846      2.00000
     14       0.6516      2.00000
     15       0.6879      2.00000
     16       0.7980      2.00000
     17       0.8202      2.00000
     18       0.8447      2.00000
     19       0.9362      2.00000
     20       1.0948      2.00000
     21       1.1354      2.00000
     22       1.1765      2.00000
     23       1.2042      2.00000
     24       1.3196      2.00000
     25       1.3632      2.00000
     26       1.4023      2.00000
     27       1.4435      2.00000
     28       1.5114      2.00000
     29       1.5692      2.00000
     30       1.6908      2.00000
     31       1.7352      2.00000
     32       1.8747      2.00000
     33       1.9168      2.00000
     34       1.9716      2.00000
     35       2.1180      2.00000
     36       2.1635      2.00000
     37       2.2405      2.00000
     38       2.2853      2.00000
     39       2.3501      2.00000
     40       2.4242      2.00000
     41       2.5144      2.00000
     42       2.5699      2.00000
     43       2.6597      2.00000
     44       2.6931      2.00000
     45       2.7643      2.00000
     46       2.8073      2.00000
     47       2.8511      2.00000
     48       2.9092      2.00000
     49       2.9609      2.00000
     50       3.0784      2.00000
     51       3.1207      2.00000
     52       3.2065      2.00000
     53       3.3476      2.00000
     54       3.5103      2.00000
     55       3.7008      2.00000
     56       4.1219      2.00000
     57       4.6038      2.00000
     58       4.9800      2.00000
     59       5.3605      2.00003
     60       5.6853      2.04036
     61       6.0272      0.92165
     62       6.2183     -0.05056
     63       6.7011     -0.00002
     64       7.1755     -0.00000
     65       7.6203     -0.00000
     66       8.7409     -0.00000
     67       8.9055     -0.00000
     68       9.3552     -0.00000
     69      10.4024     -0.00000
     70      10.6075     -0.00000
     71      11.0154     -0.00000
     72      11.6235      0.00000
     73      12.2191      0.00000
     74      12.4975      0.00000
     75      12.8180      0.00000
     76      13.3540      0.00000
     77      13.5889      0.00000
     78      14.0751      0.00000
     79      14.2351      0.00000
     80      14.4776      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9226      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6115      2.00000
      7     -39.5983      2.00000
      8      -1.6591      2.00000
      9      -0.8906      2.00000
     10       0.1408      2.00000
     11       0.2600      2.00000
     12       0.3098      2.00000
     13       0.3211      2.00000
     14       0.3977      2.00000
     15       0.6221      2.00000
     16       0.6433      2.00000
     17       0.6645      2.00000
     18       0.7512      2.00000
     19       0.8540      2.00000
     20       0.9350      2.00000
     21       1.0565      2.00000
     22       1.1233      2.00000
     23       1.1791      2.00000
     24       1.2177      2.00000
     25       1.2740      2.00000
     26       1.3777      2.00000
     27       1.3914      2.00000
     28       1.4738      2.00000
     29       1.5911      2.00000
     30       1.6896      2.00000
     31       1.7395      2.00000
     32       1.8440      2.00000
     33       1.8519      2.00000
     34       2.0311      2.00000
     35       2.1566      2.00000
     36       2.1904      2.00000
     37       2.2304      2.00000
     38       2.2621      2.00000
     39       2.3685      2.00000
     40       2.4424      2.00000
     41       2.5139      2.00000
     42       2.6226      2.00000
     43       2.6534      2.00000
     44       2.7787      2.00000
     45       2.8278      2.00000
     46       2.8757      2.00000
     47       2.9523      2.00000
     48       2.9851      2.00000
     49       3.1138      2.00000
     50       3.1863      2.00000
     51       3.2066      2.00000
     52       3.2934      2.00000
     53       3.4770      2.00000
     54       3.7152      2.00000
     55       3.9383      2.00000
     56       3.9626      2.00000
     57       4.1958      2.00000
     58       4.5994      2.00000
     59       5.0548      2.00000
     60       5.6498      2.02584
     61       6.7411     -0.00000
     62       7.3389     -0.00000
     63       7.6628     -0.00000
     64       8.2641     -0.00000
     65       8.4724     -0.00000
     66       8.5656     -0.00000
     67       9.0068     -0.00000
     68       9.2264     -0.00000
     69      11.3344     -0.00000
     70      12.1255      0.00000
     71      12.4168      0.00000
     72      12.6550      0.00000
     73      12.8346      0.00000
     74      13.0962      0.00000
     75      13.2838      0.00000
     76      13.5445      0.00000
     77      13.7088      0.00000
     78      13.7793      0.00000
     79      13.8861      0.00000
     80      14.0636      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6546      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6616      2.00000
      9      -0.7772      2.00000
     10      -0.6023      2.00000
     11       0.0756      2.00000
     12       0.2615      2.00000
     13       0.3767      2.00000
     14       0.3902      2.00000
     15       0.5493      2.00000
     16       0.6295      2.00000
     17       0.7395      2.00000
     18       0.7405      2.00000
     19       0.8349      2.00000
     20       0.8886      2.00000
     21       0.9224      2.00000
     22       1.0471      2.00000
     23       1.1029      2.00000
     24       1.1328      2.00000
     25       1.2340      2.00000
     26       1.3244      2.00000
     27       1.3545      2.00000
     28       1.4866      2.00000
     29       1.6037      2.00000
     30       1.6153      2.00000
     31       1.7806      2.00000
     32       1.9024      2.00000
     33       1.9045      2.00000
     34       2.0906      2.00000
     35       2.1454      2.00000
     36       2.2239      2.00000
     37       2.3485      2.00000
     38       2.4378      2.00000
     39       2.4633      2.00000
     40       2.4700      2.00000
     41       2.5397      2.00000
     42       2.6173      2.00000
     43       2.6786      2.00000
     44       2.6855      2.00000
     45       2.8146      2.00000
     46       2.8713      2.00000
     47       2.9538      2.00000
     48       2.9770      2.00000
     49       3.1507      2.00000
     50       3.2300      2.00000
     51       3.3169      2.00000
     52       3.3377      2.00000
     53       3.4403      2.00000
     54       3.5315      2.00000
     55       3.7151      2.00000
     56       3.7496      2.00000
     57       3.9875      2.00000
     58       4.2003      2.00000
     59       5.8132      2.05483
     60       7.2625     -0.00000
     61       7.4220     -0.00000
     62       7.4608     -0.00000
     63       7.7543     -0.00000
     64       8.2347     -0.00000
     65       8.7236     -0.00000
     66       9.2623     -0.00000
     67       9.8807     -0.00000
     68      10.4802     -0.00000
     69      10.6562     -0.00000
     70      11.2176     -0.00000
     71      11.2618     -0.00000
     72      11.4288     -0.00000
     73      12.4056      0.00000
     74      12.9846      0.00000
     75      13.1443      0.00000
     76      13.1851      0.00000
     77      13.4125      0.00000
     78      13.8861      0.00000
     79      13.9035      0.00000
     80      14.5925      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9162      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3937      2.00000
      9      -0.7702      2.00000
     10      -0.4099      2.00000
     11       0.1154      2.00000
     12       0.1909      2.00000
     13       0.4712      2.00000
     14       0.5374      2.00000
     15       0.6248      2.00000
     16       0.6425      2.00000
     17       0.7448      2.00000
     18       0.7590      2.00000
     19       0.9180      2.00000
     20       0.9568      2.00000
     21       0.9907      2.00000
     22       0.9967      2.00000
     23       1.1020      2.00000
     24       1.1667      2.00000
     25       1.1897      2.00000
     26       1.3320      2.00000
     27       1.3538      2.00000
     28       1.5582      2.00000
     29       1.6153      2.00000
     30       1.7288      2.00000
     31       1.7668      2.00000
     32       1.8274      2.00000
     33       1.9623      2.00000
     34       2.0183      2.00000
     35       2.0483      2.00000
     36       2.1480      2.00000
     37       2.2781      2.00000
     38       2.2789      2.00000
     39       2.3604      2.00000
     40       2.5148      2.00000
     41       2.5539      2.00000
     42       2.6440      2.00000
     43       2.7070      2.00000
     44       2.7412      2.00000
     45       2.7978      2.00000
     46       2.8930      2.00000
     47       2.9212      2.00000
     48       3.0115      2.00000
     49       3.1055      2.00000
     50       3.1565      2.00000
     51       3.2198      2.00000
     52       3.3481      2.00000
     53       3.3709      2.00000
     54       3.5643      2.00000
     55       3.7828      2.00000
     56       3.8413      2.00000
     57       3.9862      2.00000
     58       4.2296      2.00000
     59       6.2127     -0.04433
     60       6.5040     -0.00314
     61       7.3864     -0.00000
     62       7.7787     -0.00000
     63       7.8868     -0.00000
     64       8.3500     -0.00000
     65       8.5555     -0.00000
     66       8.8078     -0.00000
     67       8.8347     -0.00000
     68       9.6416     -0.00000
     69      10.2086     -0.00000
     70      10.6292     -0.00000
     71      10.7697     -0.00000
     72      11.1114     -0.00000
     73      11.9449      0.00000
     74      12.2970      0.00000
     75      12.6535      0.00000
     76      13.1662      0.00000
     77      13.6160      0.00000
     78      13.9337      0.00000
     79      14.2724      0.00000
     80      14.6624      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.9065      2.00000
      9      -0.3818      2.00000
     10      -0.0405      2.00000
     11       0.0611      2.00000
     12       0.4437      2.00000
     13       0.4963      2.00000
     14       0.5979      2.00000
     15       0.6945      2.00000
     16       0.7546      2.00000
     17       0.7586      2.00000
     18       0.8261      2.00000
     19       0.8879      2.00000
     20       1.0016      2.00000
     21       1.0375      2.00000
     22       1.1584      2.00000
     23       1.2367      2.00000
     24       1.2899      2.00000
     25       1.3774      2.00000
     26       1.4173      2.00000
     27       1.4928      2.00000
     28       1.6116      2.00000
     29       1.6568      2.00000
     30       1.7166      2.00000
     31       1.7873      2.00000
     32       1.8379      2.00000
     33       1.9243      2.00000
     34       1.9796      2.00000
     35       2.0302      2.00000
     36       2.0719      2.00000
     37       2.2172      2.00000
     38       2.2533      2.00000
     39       2.2883      2.00000
     40       2.4044      2.00000
     41       2.5530      2.00000
     42       2.6227      2.00000
     43       2.6345      2.00000
     44       2.7088      2.00000
     45       2.7387      2.00000
     46       2.8322      2.00000
     47       2.8679      2.00000
     48       2.9046      2.00000
     49       2.9345      2.00000
     50       3.0336      2.00000
     51       3.1337      2.00000
     52       3.3044      2.00000
     53       3.3403      2.00000
     54       3.4865      2.00000
     55       3.5701      2.00000
     56       3.7507      2.00000
     57       4.4146      2.00000
     58       5.2185      2.00000
     59       5.2888      2.00000
     60       5.9531      1.51829
     61       7.0542     -0.00000
     62       7.1854     -0.00000
     63       7.3382     -0.00000
     64       7.4423     -0.00000
     65       8.1625     -0.00000
     66       8.4050     -0.00000
     67       8.6187     -0.00000
     68       9.0555     -0.00000
     69       9.3268     -0.00000
     70       9.8262     -0.00000
     71      10.7635     -0.00000
     72      10.9715     -0.00000
     73      11.2711     -0.00000
     74      11.6002      0.00000
     75      12.5137      0.00000
     76      13.0904      0.00000
     77      13.4115      0.00000
     78      13.6672      0.00000
     79      13.9068      0.00000
     80      14.1200      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3897      2.00000
      9      -0.0755      2.00000
     10       0.1021      2.00000
     11       0.1580      2.00000
     12       0.4568      2.00000
     13       0.4934      2.00000
     14       0.5518      2.00000
     15       0.6735      2.00000
     16       0.7832      2.00000
     17       0.9106      2.00000
     18       0.9424      2.00000
     19       1.1125      2.00000
     20       1.1667      2.00000
     21       1.2158      2.00000
     22       1.2379      2.00000
     23       1.3294      2.00000
     24       1.4114      2.00000
     25       1.4407      2.00000
     26       1.4862      2.00000
     27       1.5612      2.00000
     28       1.6207      2.00000
     29       1.6611      2.00000
     30       1.7180      2.00000
     31       1.8281      2.00000
     32       1.9124      2.00000
     33       1.9616      2.00000
     34       2.0334      2.00000
     35       2.1063      2.00000
     36       2.1194      2.00000
     37       2.2003      2.00000
     38       2.2982      2.00000
     39       2.3119      2.00000
     40       2.3550      2.00000
     41       2.4674      2.00000
     42       2.5289      2.00000
     43       2.5534      2.00000
     44       2.6264      2.00000
     45       2.6973      2.00000
     46       2.7380      2.00000
     47       2.8137      2.00000
     48       2.8361      2.00000
     49       2.9497      2.00000
     50       3.0723      2.00000
     51       3.1814      2.00000
     52       3.2841      2.00000
     53       3.3410      2.00000
     54       3.4681      2.00000
     55       3.5877      2.00000
     56       3.7869      2.00000
     57       4.0878      2.00000
     58       4.2965      2.00000
     59       5.4687      2.00072
     60       5.8581      1.97961
     61       6.0220      0.96609
     62       6.3352     -0.04740
     63       6.7255     -0.00001
     64       7.1241     -0.00000
     65       7.6047     -0.00000
     66       8.0672     -0.00000
     67       8.3333     -0.00000
     68       8.9206     -0.00000
     69       9.4343     -0.00000
     70      10.2328     -0.00000
     71      10.4159     -0.00000
     72      10.5638     -0.00000
     73      11.3134     -0.00000
     74      11.8254      0.00000
     75      12.1623      0.00000
     76      12.9368      0.00000
     77      13.0120      0.00000
     78      13.6813      0.00000
     79      13.9968      0.00000
     80      14.6379      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4458      2.00000
      9      -0.1488      2.00000
     10       0.0484      2.00000
     11       0.1336      2.00000
     12       0.4970      2.00000
     13       0.5321      2.00000
     14       0.6321      2.00000
     15       0.7146      2.00000
     16       0.8971      2.00000
     17       0.9214      2.00000
     18       1.0350      2.00000
     19       1.0758      2.00000
     20       1.1365      2.00000
     21       1.1812      2.00000
     22       1.2543      2.00000
     23       1.2961      2.00000
     24       1.3916      2.00000
     25       1.4135      2.00000
     26       1.4582      2.00000
     27       1.5062      2.00000
     28       1.6588      2.00000
     29       1.6972      2.00000
     30       1.7421      2.00000
     31       1.7953      2.00000
     32       1.8730      2.00000
     33       1.9131      2.00000
     34       2.0060      2.00000
     35       2.0781      2.00000
     36       2.1850      2.00000
     37       2.2110      2.00000
     38       2.2825      2.00000
     39       2.3499      2.00000
     40       2.3697      2.00000
     41       2.4496      2.00000
     42       2.5045      2.00000
     43       2.5521      2.00000
     44       2.6541      2.00000
     45       2.6896      2.00000
     46       2.7414      2.00000
     47       2.8114      2.00000
     48       2.8824      2.00000
     49       2.9056      2.00000
     50       3.1097      2.00000
     51       3.1642      2.00000
     52       3.2511      2.00000
     53       3.4759      2.00000
     54       3.5630      2.00000
     55       3.6014      2.00000
     56       3.8964      2.00000
     57       4.3412      2.00000
     58       4.8587      2.00000
     59       5.0014      2.00000
     60       5.2068      2.00000
     61       5.6139      2.01498
     62       5.8096      2.05786
     63       6.7191     -0.00001
     64       7.1798     -0.00000
     65       7.6932     -0.00000
     66       7.8768     -0.00000
     67       8.7036     -0.00000
     68       9.4948     -0.00000
     69       9.9535     -0.00000
     70      10.1257     -0.00000
     71      10.4697     -0.00000
     72      10.5881     -0.00000
     73      11.1438     -0.00000
     74      11.8131      0.00000
     75      12.2326      0.00000
     76      12.7445      0.00000
     77      13.5869      0.00000
     78      14.0634      0.00000
     79      14.3195      0.00000
     80      14.4653      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0795      2.00000
      9      -0.3687      2.00000
     10      -0.1156      2.00000
     11       0.2719      2.00000
     12       0.4376      2.00000
     13       0.5107      2.00000
     14       0.5436      2.00000
     15       0.6813      2.00000
     16       0.7847      2.00000
     17       0.8415      2.00000
     18       0.9185      2.00000
     19       0.9499      2.00000
     20       1.0507      2.00000
     21       1.0834      2.00000
     22       1.1715      2.00000
     23       1.2196      2.00000
     24       1.2689      2.00000
     25       1.3223      2.00000
     26       1.4137      2.00000
     27       1.4541      2.00000
     28       1.5504      2.00000
     29       1.6093      2.00000
     30       1.7705      2.00000
     31       1.8193      2.00000
     32       1.8449      2.00000
     33       1.9656      2.00000
     34       1.9958      2.00000
     35       2.0521      2.00000
     36       2.1051      2.00000
     37       2.1333      2.00000
     38       2.2068      2.00000
     39       2.3294      2.00000
     40       2.4282      2.00000
     41       2.4694      2.00000
     42       2.6044      2.00000
     43       2.6495      2.00000
     44       2.6820      2.00000
     45       2.7872      2.00000
     46       2.8177      2.00000
     47       2.8714      2.00000
     48       2.9238      2.00000
     49       2.9760      2.00000
     50       3.0819      2.00000
     51       3.1287      2.00000
     52       3.2374      2.00000
     53       3.3195      2.00000
     54       3.4499      2.00000
     55       3.6246      2.00000
     56       4.0747      2.00000
     57       4.2763      2.00000
     58       5.1823      2.00000
     59       5.7476      2.06675
     60       5.9252      1.69910
     61       6.1139      0.28224
     62       6.5394     -0.00142
     63       6.7779     -0.00000
     64       7.2696     -0.00000
     65       7.6570     -0.00000
     66       8.3355     -0.00000
     67       9.3814     -0.00000
     68       9.5297     -0.00000
     69       9.9854     -0.00000
     70      10.1747     -0.00000
     71      11.3404     -0.00000
     72      11.4978      0.00000
     73      11.7685      0.00000
     74      11.9523      0.00000
     75      12.2816      0.00000
     76      12.7678      0.00000
     77      13.3554      0.00000
     78      13.6836      0.00000
     79      13.8307      0.00000
     80      14.2059      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6546      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.5562      2.00000
      9      -0.5536      2.00000
     10      -0.4649      2.00000
     11       0.2088      2.00000
     12       0.2341      2.00000
     13       0.4719      2.00000
     14       0.5243      2.00000
     15       0.5938      2.00000
     16       0.6325      2.00000
     17       0.6715      2.00000
     18       0.7964      2.00000
     19       0.9017      2.00000
     20       0.9467      2.00000
     21       0.9879      2.00000
     22       1.0140      2.00000
     23       1.1199      2.00000
     24       1.1607      2.00000
     25       1.2197      2.00000
     26       1.3868      2.00000
     27       1.4326      2.00000
     28       1.4862      2.00000
     29       1.5960      2.00000
     30       1.6400      2.00000
     31       1.7266      2.00000
     32       1.8695      2.00000
     33       1.8864      2.00000
     34       2.0149      2.00000
     35       2.1061      2.00000
     36       2.2038      2.00000
     37       2.2668      2.00000
     38       2.3439      2.00000
     39       2.3699      2.00000
     40       2.4390      2.00000
     41       2.5852      2.00000
     42       2.6764      2.00000
     43       2.7037      2.00000
     44       2.7356      2.00000
     45       2.8403      2.00000
     46       2.8649      2.00000
     47       2.8924      2.00000
     48       3.0552      2.00000
     49       3.0903      2.00000
     50       3.1664      2.00000
     51       3.2273      2.00000
     52       3.2332      2.00000
     53       3.5311      2.00000
     54       3.6152      2.00000
     55       3.6514      2.00000
     56       3.8483      2.00000
     57       3.9763      2.00000
     58       4.4817      2.00000
     59       5.6750      2.03582
     60       6.3636     -0.03466
     61       6.7059     -0.00001
     62       7.5060     -0.00000
     63       7.9697     -0.00000
     64       8.6830     -0.00000
     65       8.8794     -0.00000
     66       9.2108     -0.00000
     67       9.3737     -0.00000
     68       9.4707     -0.00000
     69       9.7906     -0.00000
     70      10.5187     -0.00000
     71      11.1836     -0.00000
     72      11.5421      0.00000
     73      12.0605      0.00000
     74      12.2439      0.00000
     75      13.0173      0.00000
     76      13.2481      0.00000
     77      13.2921      0.00000
     78      13.8546      0.00000
     79      14.5902      0.00000
     80      14.6769      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6552      2.00000
      5     -39.6545      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6125      2.00000
      9      -0.8264      2.00000
     10      -0.5706      2.00000
     11       0.0736      2.00000
     12       0.1483      2.00000
     13       0.3615      2.00000
     14       0.3899      2.00000
     15       0.5490      2.00000
     16       0.6407      2.00000
     17       0.7643      2.00000
     18       0.7886      2.00000
     19       0.8714      2.00000
     20       0.8754      2.00000
     21       0.9194      2.00000
     22       1.0160      2.00000
     23       1.0302      2.00000
     24       1.0756      2.00000
     25       1.2536      2.00000
     26       1.3088      2.00000
     27       1.3777      2.00000
     28       1.4781      2.00000
     29       1.6248      2.00000
     30       1.6723      2.00000
     31       1.7594      2.00000
     32       1.8358      2.00000
     33       1.9560      2.00000
     34       2.0135      2.00000
     35       2.1703      2.00000
     36       2.2023      2.00000
     37       2.3291      2.00000
     38       2.4261      2.00000
     39       2.4635      2.00000
     40       2.4695      2.00000
     41       2.5132      2.00000
     42       2.6290      2.00000
     43       2.6369      2.00000
     44       2.6571      2.00000
     45       2.8284      2.00000
     46       2.8389      2.00000
     47       2.9494      2.00000
     48       2.9515      2.00000
     49       2.9816      2.00000
     50       3.1923      2.00000
     51       3.2526      2.00000
     52       3.4565      2.00000
     53       3.5501      2.00000
     54       3.6539      2.00000
     55       3.9646      2.00000
     56       4.0656      2.00000
     57       4.2125      2.00000
     58       4.5976      2.00000
     59       5.8660      1.95803
     60       6.1215      0.24058
     61       6.6466     -0.00008
     62       7.3629     -0.00000
     63       8.0032     -0.00000
     64       8.2512     -0.00000
     65       8.6536     -0.00000
     66       9.1108     -0.00000
     67       9.1669     -0.00000
     68      10.9087     -0.00000
     69      11.4401     -0.00000
     70      11.6316      0.00000
     71      11.9428      0.00000
     72      12.3417      0.00000
     73      12.6258      0.00000
     74      13.1662      0.00000
     75      13.2084      0.00000
     76      13.3607      0.00000
     77      13.3988      0.00000
     78      13.8295      0.00000
     79      13.8541      0.00000
     80      14.0881      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6551      2.00000
      5     -39.6544      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3568      2.00000
      9      -0.6628      2.00000
     10      -0.5416      2.00000
     11       0.0536      2.00000
     12       0.1872      2.00000
     13       0.4669      2.00000
     14       0.5564      2.00000
     15       0.6226      2.00000
     16       0.6356      2.00000
     17       0.7486      2.00000
     18       0.7912      2.00000
     19       0.9117      2.00000
     20       0.9241      2.00000
     21       0.9520      2.00000
     22       0.9829      2.00000
     23       1.0984      2.00000
     24       1.1249      2.00000
     25       1.1787      2.00000
     26       1.3708      2.00000
     27       1.4309      2.00000
     28       1.5985      2.00000
     29       1.6141      2.00000
     30       1.6790      2.00000
     31       1.7221      2.00000
     32       1.7736      2.00000
     33       1.9340      2.00000
     34       2.0194      2.00000
     35       2.0771      2.00000
     36       2.1902      2.00000
     37       2.2119      2.00000
     38       2.2806      2.00000
     39       2.4563      2.00000
     40       2.4798      2.00000
     41       2.5370      2.00000
     42       2.6398      2.00000
     43       2.6832      2.00000
     44       2.7281      2.00000
     45       2.7488      2.00000
     46       2.8452      2.00000
     47       2.8878      2.00000
     48       2.9864      2.00000
     49       3.0663      2.00000
     50       3.1408      2.00000
     51       3.1623      2.00000
     52       3.3169      2.00000
     53       3.4393      2.00000
     54       3.5214      2.00000
     55       3.7644      2.00000
     56       3.8957      2.00000
     57       5.0214      2.00000
     58       5.1294      2.00000
     59       5.6093      2.01387
     60       6.0373      0.83749
     61       6.8585     -0.00000
     62       7.3552     -0.00000
     63       7.5079     -0.00000
     64       7.6993     -0.00000
     65       8.1159     -0.00000
     66       8.2614     -0.00000
     67       9.9489     -0.00000
     68      10.3743     -0.00000
     69      10.5450     -0.00000
     70      11.0008     -0.00000
     71      11.1643     -0.00000
     72      11.6620      0.00000
     73      12.3293      0.00000
     74      12.4615      0.00000
     75      12.9787      0.00000
     76      13.1696      0.00000
     77      13.6558      0.00000
     78      13.7940      0.00000
     79      14.0880      0.00000
     80      14.3649      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.8985      2.00000
      9      -0.3643      2.00000
     10      -0.0505      2.00000
     11       0.0278      2.00000
     12       0.4707      2.00000
     13       0.4971      2.00000
     14       0.5819      2.00000
     15       0.6984      2.00000
     16       0.7350      2.00000
     17       0.7727      2.00000
     18       0.8294      2.00000
     19       0.8795      2.00000
     20       0.9987      2.00000
     21       1.0267      2.00000
     22       1.1370      2.00000
     23       1.2425      2.00000
     24       1.3380      2.00000
     25       1.3877      2.00000
     26       1.4614      2.00000
     27       1.5153      2.00000
     28       1.5559      2.00000
     29       1.5935      2.00000
     30       1.7512      2.00000
     31       1.8012      2.00000
     32       1.8717      2.00000
     33       1.9111      2.00000
     34       1.9663      2.00000
     35       2.0197      2.00000
     36       2.1276      2.00000
     37       2.1876      2.00000
     38       2.2290      2.00000
     39       2.2561      2.00000
     40       2.3264      2.00000
     41       2.5562      2.00000
     42       2.6099      2.00000
     43       2.6558      2.00000
     44       2.7234      2.00000
     45       2.7341      2.00000
     46       2.8477      2.00000
     47       2.8756      2.00000
     48       2.9138      2.00000
     49       2.9652      2.00000
     50       3.0467      2.00000
     51       3.1358      2.00000
     52       3.2750      2.00000
     53       3.3514      2.00000
     54       3.4140      2.00000
     55       3.5019      2.00000
     56       3.7149      2.00000
     57       4.6984      2.00000
     58       5.3847      2.00007
     59       5.6331      2.02026
     60       5.8366      2.02506
     61       6.6952     -0.00002
     62       6.9400     -0.00000
     63       7.1048     -0.00000
     64       7.2414     -0.00000
     65       8.4929     -0.00000
     66       8.5841     -0.00000
     67       8.7035     -0.00000
     68       8.9016     -0.00000
     69       9.2485     -0.00000
     70       9.6711     -0.00000
     71      10.8931     -0.00000
     72      11.0804     -0.00000
     73      11.2660     -0.00000
     74      11.7958      0.00000
     75      12.7508      0.00000
     76      13.0044      0.00000
     77      13.5195      0.00000
     78      13.7553      0.00000
     79      13.9912      0.00000
     80      14.3893      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3666      2.00000
      9      -0.1216      2.00000
     10       0.0999      2.00000
     11       0.1740      2.00000
     12       0.4642      2.00000
     13       0.5302      2.00000
     14       0.5900      2.00000
     15       0.6391      2.00000
     16       0.7460      2.00000
     17       0.9031      2.00000
     18       0.9500      2.00000
     19       1.0650      2.00000
     20       1.1523      2.00000
     21       1.1910      2.00000
     22       1.2439      2.00000
     23       1.3174      2.00000
     24       1.3945      2.00000
     25       1.4850      2.00000
     26       1.5113      2.00000
     27       1.5394      2.00000
     28       1.6238      2.00000
     29       1.7190      2.00000
     30       1.7393      2.00000
     31       1.8371      2.00000
     32       1.9064      2.00000
     33       1.9706      2.00000
     34       2.0419      2.00000
     35       2.1111      2.00000
     36       2.1745      2.00000
     37       2.2562      2.00000
     38       2.3064      2.00000
     39       2.3191      2.00000
     40       2.3804      2.00000
     41       2.4305      2.00000
     42       2.5185      2.00000
     43       2.5627      2.00000
     44       2.5822      2.00000
     45       2.6367      2.00000
     46       2.7035      2.00000
     47       2.7596      2.00000
     48       2.8063      2.00000
     49       2.9560      2.00000
     50       3.0461      2.00000
     51       3.1403      2.00000
     52       3.1814      2.00000
     53       3.3324      2.00000
     54       3.5340      2.00000
     55       3.5993      2.00000
     56       3.9563      2.00000
     57       4.1918      2.00000
     58       4.4146      2.00000
     59       5.2762      2.00000
     60       5.8324      2.03184
     61       5.9556      1.50043
     62       6.2569     -0.07063
     63       6.4667     -0.00674
     64       6.9945     -0.00000
     65       7.8641     -0.00000
     66       8.0334     -0.00000
     67       8.8245     -0.00000
     68       9.1448     -0.00000
     69       9.7246     -0.00000
     70       9.8539     -0.00000
     71      10.3702     -0.00000
     72      10.5774     -0.00000
     73      10.9591     -0.00000
     74      11.8497      0.00000
     75      12.4534      0.00000
     76      12.6182      0.00000
     77      13.3222      0.00000
     78      13.7169      0.00000
     79      14.3557      0.00000
     80      14.4466      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4383      2.00000
      9      -0.1379      2.00000
     10      -0.0174      2.00000
     11       0.1315      2.00000
     12       0.5463      2.00000
     13       0.5912      2.00000
     14       0.6467      2.00000
     15       0.7799      2.00000
     16       0.8041      2.00000
     17       0.9248      2.00000
     18       0.9669      2.00000
     19       1.0491      2.00000
     20       1.1101      2.00000
     21       1.1510      2.00000
     22       1.2405      2.00000
     23       1.3385      2.00000
     24       1.3866      2.00000
     25       1.4083      2.00000
     26       1.4892      2.00000
     27       1.5896      2.00000
     28       1.6691      2.00000
     29       1.7199      2.00000
     30       1.7691      2.00000
     31       1.8224      2.00000
     32       1.8876      2.00000
     33       1.8989      2.00000
     34       2.0038      2.00000
     35       2.1252      2.00000
     36       2.1803      2.00000
     37       2.2192      2.00000
     38       2.2444      2.00000
     39       2.3064      2.00000
     40       2.3948      2.00000
     41       2.4544      2.00000
     42       2.4916      2.00000
     43       2.5531      2.00000
     44       2.6208      2.00000
     45       2.6444      2.00000
     46       2.7281      2.00000
     47       2.7723      2.00000
     48       2.8239      2.00000
     49       2.8767      2.00000
     50       3.1345      2.00000
     51       3.1432      2.00000
     52       3.3447      2.00000
     53       3.4715      2.00000
     54       3.5756      2.00000
     55       3.6078      2.00000
     56       3.7755      2.00000
     57       4.3625      2.00000
     58       4.5616      2.00000
     59       5.1245      2.00000
     60       5.6193      2.01633
     61       5.7578      2.06931
     62       6.4055     -0.01944
     63       6.4967     -0.00368
     64       6.8328     -0.00000
     65       6.9961     -0.00000
     66       7.3768     -0.00000
     67       9.1036     -0.00000
     68       9.3455     -0.00000
     69      10.2435     -0.00000
     70      10.5536     -0.00000
     71      10.9145     -0.00000
     72      11.4139     -0.00000
     73      11.5651      0.00000
     74      11.8331      0.00000
     75      12.1768      0.00000
     76      12.6577      0.00000
     77      12.9300      0.00000
     78      13.0963      0.00000
     79      13.8995      0.00000
     80      14.2333      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.1077      2.00000
      9      -0.3074      2.00000
     10      -0.1702      2.00000
     11       0.2345      2.00000
     12       0.4815      2.00000
     13       0.5474      2.00000
     14       0.5761      2.00000
     15       0.6558      2.00000
     16       0.7726      2.00000
     17       0.8575      2.00000
     18       0.9303      2.00000
     19       1.0185      2.00000
     20       1.0915      2.00000
     21       1.1225      2.00000
     22       1.1680      2.00000
     23       1.1923      2.00000
     24       1.2219      2.00000
     25       1.2545      2.00000
     26       1.3566      2.00000
     27       1.4845      2.00000
     28       1.5502      2.00000
     29       1.6382      2.00000
     30       1.6855      2.00000
     31       1.7917      2.00000
     32       1.8393      2.00000
     33       1.9686      2.00000
     34       2.0374      2.00000
     35       2.1011      2.00000
     36       2.1626      2.00000
     37       2.2201      2.00000
     38       2.2414      2.00000
     39       2.3034      2.00000
     40       2.3375      2.00000
     41       2.5263      2.00000
     42       2.6191      2.00000
     43       2.6445      2.00000
     44       2.7200      2.00000
     45       2.7346      2.00000
     46       2.7787      2.00000
     47       2.8189      2.00000
     48       2.9404      2.00000
     49       2.9972      2.00000
     50       3.0650      2.00000
     51       3.1383      2.00000
     52       3.2046      2.00000
     53       3.4254      2.00000
     54       3.4646      2.00000
     55       3.5664      2.00000
     56       3.7181      2.00000
     57       4.5307      2.00000
     58       4.7874      2.00000
     59       5.4081      2.00014
     60       5.9568      1.49157
     61       6.4790     -0.00529
     62       6.8112     -0.00000
     63       7.0905     -0.00000
     64       7.3884     -0.00000
     65       8.0490     -0.00000
     66       8.6669     -0.00000
     67       8.7594     -0.00000
     68       9.3392     -0.00000
     69       9.8323     -0.00000
     70       9.9194     -0.00000
     71      10.6613     -0.00000
     72      11.1715     -0.00000
     73      11.8779      0.00000
     74      12.1898      0.00000
     75      12.6531      0.00000
     76      13.2211      0.00000
     77      13.9564      0.00000
     78      14.0383      0.00000
     79      14.3662      0.00000
     80      14.4092      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.5482      2.00000
      9      -0.6242      2.00000
     10      -0.3823      2.00000
     11       0.1888      2.00000
     12       0.2318      2.00000
     13       0.4356      2.00000
     14       0.5248      2.00000
     15       0.5857      2.00000
     16       0.6314      2.00000
     17       0.6910      2.00000
     18       0.8073      2.00000
     19       0.9154      2.00000
     20       0.9441      2.00000
     21       0.9833      2.00000
     22       1.0467      2.00000
     23       1.1321      2.00000
     24       1.1604      2.00000
     25       1.2501      2.00000
     26       1.2714      2.00000
     27       1.3846      2.00000
     28       1.5915      2.00000
     29       1.6426      2.00000
     30       1.7081      2.00000
     31       1.7586      2.00000
     32       1.8202      2.00000
     33       1.8672      2.00000
     34       1.9906      2.00000
     35       2.0331      2.00000
     36       2.1202      2.00000
     37       2.3080      2.00000
     38       2.3446      2.00000
     39       2.4446      2.00000
     40       2.5141      2.00000
     41       2.5254      2.00000
     42       2.6052      2.00000
     43       2.6737      2.00000
     44       2.6991      2.00000
     45       2.7934      2.00000
     46       2.8438      2.00000
     47       2.9024      2.00000
     48       3.0494      2.00000
     49       3.0930      2.00000
     50       3.2109      2.00000
     51       3.2297      2.00000
     52       3.2983      2.00000
     53       3.4017      2.00000
     54       3.5886      2.00000
     55       3.7953      2.00000
     56       3.8152      2.00000
     57       3.9757      2.00000
     58       4.7506      2.00000
     59       5.6565      2.02831
     60       6.5577     -0.00091
     61       6.8459     -0.00000
     62       7.4459     -0.00000
     63       7.8282     -0.00000
     64       7.8856     -0.00000
     65       8.4198     -0.00000
     66       9.0507     -0.00000
     67       9.2231     -0.00000
     68       9.9863     -0.00000
     69      10.4729     -0.00000
     70      10.7229     -0.00000
     71      11.1364     -0.00000
     72      11.4769     -0.00000
     73      12.1330      0.00000
     74      12.6586      0.00000
     75      12.9997      0.00000
     76      13.3549      0.00000
     77      13.4941      0.00000
     78      13.9028      0.00000
     79      14.3168      0.00000
     80      14.5357      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9229      2.00000
      2     -39.9158      2.00000
      3     -39.7886      2.00000
      4     -39.6551      2.00000
      5     -39.6545      2.00000
      6     -39.6122      2.00000
      7     -39.5975      2.00000
      8      -1.6067      2.00000
      9      -0.7814      2.00000
     10      -0.6561      2.00000
     11       0.0672      2.00000
     12       0.1912      2.00000
     13       0.3580      2.00000
     14       0.3874      2.00000
     15       0.5661      2.00000
     16       0.6142      2.00000
     17       0.7275      2.00000
     18       0.7856      2.00000
     19       0.8474      2.00000
     20       0.9094      2.00000
     21       0.9256      2.00000
     22       1.0659      2.00000
     23       1.1146      2.00000
     24       1.1522      2.00000
     25       1.2447      2.00000
     26       1.2596      2.00000
     27       1.2702      2.00000
     28       1.4695      2.00000
     29       1.6036      2.00000
     30       1.6201      2.00000
     31       1.7477      2.00000
     32       1.7894      2.00000
     33       1.9125      2.00000
     34       2.1254      2.00000
     35       2.1581      2.00000
     36       2.3453      2.00000
     37       2.3551      2.00000
     38       2.3923      2.00000
     39       2.4387      2.00000
     40       2.4690      2.00000
     41       2.5364      2.00000
     42       2.6331      2.00000
     43       2.6652      2.00000
     44       2.7286      2.00000
     45       2.7995      2.00000
     46       2.8466      2.00000
     47       2.8967      2.00000
     48       2.9427      2.00000
     49       3.0397      2.00000
     50       3.1771      2.00000
     51       3.2255      2.00000
     52       3.3955      2.00000
     53       3.5904      2.00000
     54       3.6420      2.00000
     55       3.9560      2.00000
     56       4.0575      2.00000
     57       4.2319      2.00000
     58       4.4608      2.00000
     59       5.6794      2.03774
     60       6.2379     -0.06525
     61       6.6914     -0.00002
     62       7.5129     -0.00000
     63       7.8865     -0.00000
     64       8.1359     -0.00000
     65       8.8066     -0.00000
     66       9.3773     -0.00000
     67       9.5914     -0.00000
     68      10.7377     -0.00000
     69      10.8943     -0.00000
     70      11.4730     -0.00000
     71      11.9776      0.00000
     72      12.0784      0.00000
     73      12.5112      0.00000
     74      12.8906      0.00000
     75      13.0078      0.00000
     76      13.2895      0.00000
     77      13.4401      0.00000
     78      13.8989      0.00000
     79      14.0558      0.00000
     80      14.3364      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9162      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5982      2.00000
      8      -1.3889      2.00000
      9      -0.7296      2.00000
     10      -0.4706      2.00000
     11       0.1192      2.00000
     12       0.1873      2.00000
     13       0.4794      2.00000
     14       0.5492      2.00000
     15       0.6299      2.00000
     16       0.6363      2.00000
     17       0.7488      2.00000
     18       0.7691      2.00000
     19       0.9297      2.00000
     20       0.9351      2.00000
     21       0.9532      2.00000
     22       0.9828      2.00000
     23       1.1198      2.00000
     24       1.1629      2.00000
     25       1.1830      2.00000
     26       1.3699      2.00000
     27       1.3809      2.00000
     28       1.5158      2.00000
     29       1.6171      2.00000
     30       1.6317      2.00000
     31       1.7943      2.00000
     32       1.8428      2.00000
     33       1.9621      2.00000
     34       1.9885      2.00000
     35       2.1645      2.00000
     36       2.2030      2.00000
     37       2.2213      2.00000
     38       2.2571      2.00000
     39       2.3064      2.00000
     40       2.5357      2.00000
     41       2.5758      2.00000
     42       2.6239      2.00000
     43       2.6960      2.00000
     44       2.7430      2.00000
     45       2.8144      2.00000
     46       2.8975      2.00000
     47       2.9577      2.00000
     48       3.0036      2.00000
     49       3.1126      2.00000
     50       3.1568      2.00000
     51       3.1969      2.00000
     52       3.3109      2.00000
     53       3.4012      2.00000
     54       3.5586      2.00000
     55       3.7446      2.00000
     56       3.8998      2.00000
     57       4.0330      2.00000
     58       4.2877      2.00000
     59       6.2397     -0.06610
     60       6.6614     -0.00005
     61       7.1153     -0.00000
     62       7.3108     -0.00000
     63       8.0026     -0.00000
     64       8.2264     -0.00000
     65       8.3849     -0.00000
     66       8.7899     -0.00000
     67       9.5606     -0.00000
     68       9.8224     -0.00000
     69      10.1350     -0.00000
     70      10.3425     -0.00000
     71      10.8644     -0.00000
     72      11.3361     -0.00000
     73      12.0488      0.00000
     74      12.2061      0.00000
     75      12.6304      0.00000
     76      13.1380      0.00000
     77      13.5528      0.00000
     78      13.7480      0.00000
     79      14.3161      0.00000
     80      14.6207      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9171      2.00000
      3     -39.7882      2.00000
      4     -39.6547      2.00000
      5     -39.6546      2.00000
      6     -39.6097      2.00000
      7     -39.6003      2.00000
      8      -0.9129      2.00000
      9      -0.4513      2.00000
     10       0.0451      2.00000
     11       0.0955      2.00000
     12       0.3973      2.00000
     13       0.4979      2.00000
     14       0.6469      2.00000
     15       0.6725      2.00000
     16       0.7388      2.00000
     17       0.7788      2.00000
     18       0.8193      2.00000
     19       0.9055      2.00000
     20       1.0200      2.00000
     21       1.0457      2.00000
     22       1.1242      2.00000
     23       1.2317      2.00000
     24       1.2735      2.00000
     25       1.2961      2.00000
     26       1.3798      2.00000
     27       1.4639      2.00000
     28       1.6733      2.00000
     29       1.6983      2.00000
     30       1.7862      2.00000
     31       1.8235      2.00000
     32       1.8527      2.00000
     33       1.9100      2.00000
     34       1.9716      2.00000
     35       1.9987      2.00000
     36       2.0290      2.00000
     37       2.2366      2.00000
     38       2.2964      2.00000
     39       2.3497      2.00000
     40       2.4822      2.00000
     41       2.5192      2.00000
     42       2.5702      2.00000
     43       2.6885      2.00000
     44       2.7072      2.00000
     45       2.7421      2.00000
     46       2.7622      2.00000
     47       2.8553      2.00000
     48       2.8806      2.00000
     49       2.9138      2.00000
     50       3.0737      2.00000
     51       3.1658      2.00000
     52       3.3309      2.00000
     53       3.3458      2.00000
     54       3.5853      2.00000
     55       3.7510      2.00000
     56       3.8225      2.00000
     57       4.0233      2.00000
     58       4.6280      2.00000
     59       4.8209      2.00000
     60       6.5737     -0.00061
     61       7.0545     -0.00000
     62       7.5073     -0.00000
     63       7.6240     -0.00000
     64       7.8438     -0.00000
     65       8.0301     -0.00000
     66       8.6856     -0.00000
     67       8.9083     -0.00000
     68       9.1843     -0.00000
     69       9.5784     -0.00000
     70       9.6008     -0.00000
     71       9.8016     -0.00000
     72      10.0864     -0.00000
     73      11.4877      0.00000
     74      11.7983      0.00000
     75      11.8772      0.00000
     76      12.9931      0.00000
     77      13.3807      0.00000
     78      13.9786      0.00000
     79      14.2208      0.00000
     80      14.5781      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6544      2.00000
      6     -39.6068      2.00000
      7     -39.6034      2.00000
      8      -0.3628      2.00000
      9      -0.1210      2.00000
     10       0.1041      2.00000
     11       0.1536      2.00000
     12       0.4183      2.00000
     13       0.5359      2.00000
     14       0.6101      2.00000
     15       0.6932      2.00000
     16       0.7706      2.00000
     17       0.8943      2.00000
     18       0.9366      2.00000
     19       1.0666      2.00000
     20       1.1190      2.00000
     21       1.1826      2.00000
     22       1.2121      2.00000
     23       1.3427      2.00000
     24       1.3925      2.00000
     25       1.4463      2.00000
     26       1.5066      2.00000
     27       1.6567      2.00000
     28       1.6996      2.00000
     29       1.7196      2.00000
     30       1.7384      2.00000
     31       1.8346      2.00000
     32       1.8727      2.00000
     33       1.9342      2.00000
     34       2.0085      2.00000
     35       2.1222      2.00000
     36       2.1623      2.00000
     37       2.2525      2.00000
     38       2.2776      2.00000
     39       2.3472      2.00000
     40       2.3955      2.00000
     41       2.4361      2.00000
     42       2.5267      2.00000
     43       2.5698      2.00000
     44       2.5945      2.00000
     45       2.6415      2.00000
     46       2.6788      2.00000
     47       2.7284      2.00000
     48       2.7922      2.00000
     49       2.8755      2.00000
     50       3.0755      2.00000
     51       3.1256      2.00000
     52       3.1779      2.00000
     53       3.2238      2.00000
     54       3.4881      2.00000
     55       3.5978      2.00000
     56       3.9586      2.00000
     57       4.6245      2.00000
     58       4.6996      2.00000
     59       5.1188      2.00000
     60       5.6462      2.02455
     61       5.7757      2.07086
     62       6.0862      0.45795
     63       6.3826     -0.02711
     64       6.9300     -0.00000
     65       7.6578     -0.00000
     66       8.4541     -0.00000
     67       9.0007     -0.00000
     68       9.3567     -0.00000
     69       9.4730     -0.00000
     70       9.8157     -0.00000
     71      10.6656     -0.00000
     72      11.0211     -0.00000
     73      11.3738     -0.00000
     74      11.7044      0.00000
     75      12.0773      0.00000
     76      12.4145      0.00000
     77      12.7557      0.00000
     78      13.6185      0.00000
     79      13.9622      0.00000
     80      14.1608      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9184      2.00000
      3     -39.7879      2.00000
      4     -39.6546      2.00000
      5     -39.6545      2.00000
      6     -39.6067      2.00000
      7     -39.6034      2.00000
      8      -0.4270      2.00000
      9      -0.1862      2.00000
     10       0.0385      2.00000
     11       0.1386      2.00000
     12       0.5278      2.00000
     13       0.5878      2.00000
     14       0.6785      2.00000
     15       0.7390      2.00000
     16       0.7963      2.00000
     17       0.8766      2.00000
     18       0.9529      2.00000
     19       1.0914      2.00000
     20       1.1086      2.00000
     21       1.1988      2.00000
     22       1.2734      2.00000
     23       1.2948      2.00000
     24       1.3639      2.00000
     25       1.4124      2.00000
     26       1.4650      2.00000
     27       1.5507      2.00000
     28       1.6679      2.00000
     29       1.7422      2.00000
     30       1.7734      2.00000
     31       1.8305      2.00000
     32       1.8477      2.00000
     33       1.9595      2.00000
     34       2.0597      2.00000
     35       2.0928      2.00000
     36       2.1312      2.00000
     37       2.2414      2.00000
     38       2.2779      2.00000
     39       2.2870      2.00000
     40       2.4375      2.00000
     41       2.4748      2.00000
     42       2.4774      2.00000
     43       2.5539      2.00000
     44       2.6244      2.00000
     45       2.6495      2.00000
     46       2.7035      2.00000
     47       2.7910      2.00000
     48       2.8027      2.00000
     49       2.8803      2.00000
     50       3.0904      2.00000
     51       3.1666      2.00000
     52       3.2499      2.00000
     53       3.4823      2.00000
     54       3.5620      2.00000
     55       3.6527      2.00000
     56       4.0614      2.00000
     57       4.5109      2.00000
     58       4.5625      2.00000
     59       4.8267      2.00000
     60       5.1682      2.00000
     61       5.6562      2.02820
     62       6.1374      0.16265
     63       6.4004     -0.02102
     64       7.5645     -0.00000
     65       7.7346     -0.00000
     66       8.0279     -0.00000
     67       8.4168     -0.00000
     68       8.9555     -0.00000
     69       9.6310     -0.00000
     70      10.2582     -0.00000
     71      10.3995     -0.00000
     72      11.2685     -0.00000
     73      11.6904      0.00000
     74      12.2855      0.00000
     75      12.4672      0.00000
     76      12.6256      0.00000
     77      13.3621      0.00000
     78      13.6110      0.00000
     79      14.1726      0.00000
     80      14.3105      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9215      2.00000
      2     -39.9170      2.00000
      3     -39.7882      2.00000
      4     -39.6548      2.00000
      5     -39.6545      2.00000
      6     -39.6096      2.00000
      7     -39.6004      2.00000
      8      -1.0474      2.00000
      9      -0.4630      2.00000
     10      -0.0797      2.00000
     11       0.3273      2.00000
     12       0.4425      2.00000
     13       0.5140      2.00000
     14       0.5668      2.00000
     15       0.6442      2.00000
     16       0.7476      2.00000
     17       0.8188      2.00000
     18       0.9203      2.00000
     19       0.9912      2.00000
     20       1.0218      2.00000
     21       1.0961      2.00000
     22       1.1849      2.00000
     23       1.2101      2.00000
     24       1.3150      2.00000
     25       1.3388      2.00000
     26       1.3601      2.00000
     27       1.4387      2.00000
     28       1.5048      2.00000
     29       1.6028      2.00000
     30       1.7670      2.00000
     31       1.8408      2.00000
     32       1.8616      2.00000
     33       1.9292      2.00000
     34       1.9862      2.00000
     35       2.0409      2.00000
     36       2.1207      2.00000
     37       2.1926      2.00000
     38       2.2585      2.00000
     39       2.3290      2.00000
     40       2.4493      2.00000
     41       2.4927      2.00000
     42       2.5085      2.00000
     43       2.6491      2.00000
     44       2.6816      2.00000
     45       2.7621      2.00000
     46       2.8011      2.00000
     47       2.8501      2.00000
     48       2.9274      2.00000
     49       3.0225      2.00000
     50       3.0822      2.00000
     51       3.1486      2.00000
     52       3.2208      2.00000
     53       3.3239      2.00000
     54       3.4861      2.00000
     55       3.6504      2.00000
     56       3.8499      2.00000
     57       4.7570      2.00000
     58       5.2108      2.00000
     59       5.3398      2.00002
     60       5.5986      2.01155
     61       6.3419     -0.04430
     62       6.5411     -0.00136
     63       7.2855     -0.00000
     64       7.3876     -0.00000
     65       7.6646     -0.00000
     66       8.0578     -0.00000
     67       8.8548     -0.00000
     68       9.6511     -0.00000
     69       9.9803     -0.00000
     70      10.4974     -0.00000
     71      10.6808     -0.00000
     72      11.0085     -0.00000
     73      11.3044     -0.00000
     74      12.4637      0.00000
     75      13.0217      0.00000
     76      13.2967      0.00000
     77      13.5928      0.00000
     78      14.1261      0.00000
     79      14.2247      0.00000
     80      14.8601      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9225      2.00000
      2     -39.9161      2.00000
      3     -39.7885      2.00000
      4     -39.6550      2.00000
      5     -39.6545      2.00000
      6     -39.6116      2.00000
      7     -39.5983      2.00000
      8      -1.4864      2.00000
      9      -0.7341      2.00000
     10      -0.3583      2.00000
     11       0.1609      2.00000
     12       0.2189      2.00000
     13       0.4628      2.00000
     14       0.5318      2.00000
     15       0.6081      2.00000
     16       0.6321      2.00000
     17       0.6632      2.00000
     18       0.8229      2.00000
     19       0.8790      2.00000
     20       0.9367      2.00000
     21       0.9777      2.00000
     22       0.9953      2.00000
     23       1.1440      2.00000
     24       1.1815      2.00000
     25       1.2469      2.00000
     26       1.3224      2.00000
     27       1.4355      2.00000
     28       1.5468      2.00000
     29       1.5955      2.00000
     30       1.6155      2.00000
     31       1.6900      2.00000
     32       1.8948      2.00000
     33       1.9634      2.00000
     34       2.0175      2.00000
     35       2.0917      2.00000
     36       2.1937      2.00000
     37       2.2568      2.00000
     38       2.3323      2.00000
     39       2.3531      2.00000
     40       2.4536      2.00000
     41       2.4719      2.00000
     42       2.6316      2.00000
     43       2.6735      2.00000
     44       2.7528      2.00000
     45       2.7775      2.00000
     46       2.8284      2.00000
     47       2.9642      2.00000
     48       2.9862      2.00000
     49       3.1163      2.00000
     50       3.1520      2.00000
     51       3.1976      2.00000
     52       3.3047      2.00000
     53       3.3795      2.00000
     54       3.6122      2.00000
     55       3.7797      2.00000
     56       3.8306      2.00000
     57       4.6178      2.00000
     58       5.1303      2.00000
     59       5.6777      2.03697
     60       6.1360      0.16881
     61       6.4427     -0.01051
     62       6.9191     -0.00000
     63       7.2602     -0.00000
     64       7.9401     -0.00000
     65       8.8962     -0.00000
     66       8.9853     -0.00000
     67       9.2234     -0.00000
     68       9.9806     -0.00000
     69      10.0533     -0.00000
     70      11.7026      0.00000
     71      11.9106      0.00000
     72      12.1188      0.00000
     73      12.2367      0.00000
     74      12.4569      0.00000
     75      12.8932      0.00000
     76      13.2930      0.00000
     77      13.5652      0.00000
     78      13.8118      0.00000
     79      13.9556      0.00000
     80      14.4589      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.164  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.364  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.021   0.010   0.029   0.011   0.006  -1.168  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.072  -0.270   0.020  -0.182  -0.014  -1.058   0.225  -0.011   0.145  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.029  -0.270   2.653   0.008  -0.313  -0.025   0.225  -0.697  -0.018   0.230   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.020   0.008   2.942   0.016  -0.042  -0.011  -0.018  -1.105  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.313   0.016   3.078  -0.013   0.145   0.230  -0.007  -1.015  -0.140   0.067   0.046  -0.009   0.020   0.008
 -1.168  -0.014  -0.025  -0.042  -0.013   1.221   0.018   0.020   0.068   0.018  -0.016   0.005   0.011  -0.007  -0.289  -0.000
 -0.014  -1.058   0.225  -0.011   0.145   0.018   0.978  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.697  -0.018   0.230   0.020  -0.181   0.677   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.011  -0.018  -1.105  -0.007   0.068   0.003   0.025   1.165   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.230  -0.007  -1.015   0.018  -0.108  -0.160   0.001   0.907   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.069   0.084  -0.020  -0.140  -0.016   0.063  -0.092   0.020   0.131   2.091  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.067   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.011  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.67: real time    1.68
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.65: real time    6.67
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.15699   469.15699   469.15699
  Ewald   -2471.78643 -3172.59227 -2711.57738   -21.85920   -23.20970    12.34531
  Hartree   847.91443   346.48409   676.74393   -14.63290    -2.34799     7.74126
  E(xc)    -540.90934  -541.58459  -541.06384    -0.02607    -0.13415     0.01554
  Local    -593.81516   606.08653  -183.11928    36.02747    24.36750   -19.60613
  n-local  -102.87629   -99.66856  -101.60443     0.30246     0.72225    -0.26396
  augment   723.82003   723.30293   723.36453     0.02667     0.12265    -0.05230
  Kinetic  1668.50384  1668.78989  1668.09705     0.17027     0.49395    -0.16947
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.00805    -0.02500    -0.00243     0.00871     0.01451     0.01026
  in kB       0.05011    -0.15554    -0.01512     0.05419     0.09030     0.06385
  external pressure =       -0.04 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.50
      direct lattice vectors                 reciprocal lattice vectors
     4.099081764 -0.101668214  0.141675706     0.243661853  0.100369957  0.080568340
    -3.909962297  8.755399768  0.917600677     0.002766289  0.115176484  0.002615438
    -2.321883793 -0.106709322  7.154980713    -0.005179513 -0.016758396  0.137832027

  length of vectors
     4.102789263  9.632591617  7.523049929     0.275565753  0.115239382  0.138943654


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.158E+03 0.255E+02   0.385E+01 0.161E+03 -.258E+02   -.165E+00 -.282E+01 0.298E+00   -.907E-05 0.642E-06 0.440E-04
   0.369E+01 0.158E+03 -.255E+02   -.385E+01 -.161E+03 0.258E+02   0.165E+00 0.282E+01 -.298E+00   0.828E-05 0.114E-05 -.450E-04
   0.313E+01 0.145E+03 0.754E+01   -.323E+01 -.146E+03 -.736E+01   0.942E-01 0.128E+01 -.178E+00   0.134E-05 0.756E-04 0.605E-04
   -.848E-01 -.684E+02 -.415E+02   0.914E-01 0.681E+02 0.423E+02   -.725E-02 0.336E+00 -.852E+00   0.447E-05 0.614E-04 -.263E-04
   0.626E+01 0.972E+02 -.971E+02   -.633E+01 -.985E+02 0.985E+02   0.637E-01 0.126E+01 -.139E+01   0.325E-05 -.117E-04 0.253E-04
   -.150E-01 0.283E-02 -.132E-01   0.150E-01 -.298E-02 0.133E-01   0.298E-03 0.531E-04 -.556E-04   0.226E-07 -.527E-06 -.153E-05
   -.623E+01 -.972E+02 0.972E+02   0.629E+01 0.985E+02 -.986E+02   -.645E-01 -.126E+01 0.139E+01   -.310E-05 0.100E-04 -.251E-04
   -.312E+01 -.145E+03 -.754E+01   0.321E+01 0.146E+03 0.737E+01   -.947E-01 -.128E+01 0.178E+00   -.111E-05 -.766E-04 -.611E-04
   0.540E-01 0.684E+02 0.415E+02   -.611E-01 -.681E+02 -.423E+02   0.830E-02 -.336E+00 0.852E+00   -.502E-05 -.606E-04 0.260E-04
   0.656E-02 0.307E-02 -.141E-02   -.640E-02 -.314E-02 0.125E-02   -.152E-03 0.120E-03 0.889E-04   0.690E-06 -.138E-05 0.239E-06
   0.933E+00 0.960E+01 -.281E+02   -.939E+00 -.941E+01 0.280E+02   0.511E-02 -.189E+00 0.999E-01   0.146E-05 0.910E-07 -.795E-05
   -.944E+00 -.960E+01 0.281E+02   0.949E+00 0.941E+01 -.280E+02   -.494E-02 0.190E+00 -.999E-01   -.147E-05 -.272E-06 0.798E-05
   0.758E+00 -.917E+01 -.205E+02   -.714E+00 0.921E+01 0.202E+02   -.438E-01 -.400E-01 0.271E+00   -.144E-05 -.235E-05 -.130E-04
   -.169E+01 -.621E+02 0.432E+01   0.169E+01 0.620E+02 -.458E+01   0.499E-02 0.692E-01 0.250E+00   -.160E-05 -.118E-04 -.112E-04
   -.755E+00 0.918E+01 0.205E+02   0.711E+00 -.922E+01 -.202E+02   0.436E-01 0.402E-01 -.271E+00   0.198E-05 0.311E-05 0.129E-04
   0.169E+01 0.621E+02 -.432E+01   -.168E+01 -.620E+02 0.457E+01   -.483E-02 -.690E-01 -.250E+00   0.162E-05 0.118E-04 0.113E-04
 -----------------------------------------------------------------------------------------------
   -.122E-03 0.158E-04 -.289E-04   0.164E-13 -.639E-13 0.782E-13   0.154E-03 0.898E-03 0.519E-04   0.291E-06 -.136E-05 -.305E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07086      6.36041      7.88851        -0.000036     -0.003244     -0.001367
     -2.91091      8.15263      4.53413         0.000043      0.003058      0.001274
     -1.04442      1.16116      4.62328         0.000462      0.000259      0.000718
     -2.90176      5.24101      2.40560        -0.000630      0.001687     -0.012191
      1.19225      1.83222      0.30981         0.000008      0.002111      0.004748
     -3.08547      2.92963      5.68170         0.000278     -0.000162      0.000112
     -0.94214      4.03204      4.04027        -0.000621     -0.001913     -0.005210
     -1.02737      4.59653      6.88163        -0.000683     -0.000600     -0.000392
      3.15169      0.62320      1.94436         0.001144     -0.001649      0.012351
     -5.04032      7.30738      6.14046         0.000013     -0.000008     -0.000071
     -0.84864      3.63640      1.26145        -0.000236     -0.001136     -0.002044
      1.09850      2.22795      3.08858         0.000233      0.001340      0.002022
     -0.85035      6.70264      3.45600         0.000127      0.002670     -0.003149
     -2.99620      5.53086      5.14441        -0.000838      0.000861     -0.004760
     -2.80959      7.91708      1.81163        -0.000242     -0.002412      0.003222
      0.92437      0.22672      6.36057         0.000978     -0.000861      0.004736
 -----------------------------------------------------------------------------------
    total drift:                                0.000032      0.000913      0.000020


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87768084 eV

  energy  without entropy=      -49.88258345  energy(sigma->0) =      -49.87931504
 
 d Force = 0.4498501E-04[ 0.382E-04, 0.518E-04]  d Energy = 0.6597146E-04-0.210E-04
 d Force =-0.3012162E+00[-0.302E+00,-0.300E+00]  d Ewald  = 0.1250557E+01-0.155E+01


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000066  1 .order   -0.000064   -0.000091   -0.000037
  (g-gl).g = 0.792E-04      g.g   = 0.796E-04  gl.gl    = 0.845E-04
 g(Force)  = 0.300E-04   g(Stress)= 0.496E-04 ortho     = 0.423E-06
 gamma     =   0.93709
 trial     =   1.13250
 opt step  =   1.69511  (harmonic =   1.90786) maximal distance =0.00143403
 next E    =   -49.877690   (d E  =  -0.00008)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  159.45: real time  160.00


----------------------------------------- Iteration   12(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.59: real time   15.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.32: real time   17.38

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.1173777E-03  (-0.1315156E-02)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0397977 magnetization 

 Broyden mixing:
  rms(total) = 0.73320E-02    rms(broyden)= 0.73319E-02
  rms(prec ) = 0.10087E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1871.47434891
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.49498022
  PAW double counting   =      9486.32279271    -9414.28451430
  entropy T*S    EENTRO =         0.00492620
  eigenvalues    EBANDS =      -337.88100482
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87779826 eV

  energy without entropy =      -49.88272446  energy(sigma->0) =      -49.87944033


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.27: real time   17.33
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.01: real time   19.07

 eigenvalue-minimisations  :  7712
 total energy-change (2. order) : 0.1103336E-03  (-0.6101156E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0508798 magnetization 

 Broyden mixing:
  rms(total) = 0.29892E-02    rms(broyden)= 0.29891E-02
  rms(prec ) = 0.31580E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7804
  0.7804

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.92961247
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47277444
  PAW double counting   =      9486.56078709    -9414.53607422
  entropy T*S    EENTRO =         0.00489521
  eigenvalues    EBANDS =      -338.38982860
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768793 eV

  energy without entropy =      -49.88258314  energy(sigma->0) =      -49.87931967


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.69: real time   19.74
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.76
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.47: real time   21.53

 eigenvalue-minimisations  :  9168
 total energy-change (2. order) :-0.4321519E-06  (-0.2268905E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516577 magnetization 

 Broyden mixing:
  rms(total) = 0.19642E-02    rms(broyden)= 0.19641E-02
  rms(prec ) = 0.20518E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5123
  1.0389  1.9857

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.92423124
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47148531
  PAW double counting   =      9486.80757218    -9414.78297591
  entropy T*S    EENTRO =         0.00489462
  eigenvalues    EBANDS =      -338.39380394
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768836 eV

  energy without entropy =      -49.88258298  energy(sigma->0) =      -49.87931990


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.85: real time   17.90
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.60: real time   19.66

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) :-0.1165305E-05  (-0.3739824E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516853 magnetization 

 Broyden mixing:
  rms(total) = 0.39265E-03    rms(broyden)= 0.39264E-03
  rms(prec ) = 0.41699E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4159
  2.3850  1.0063  0.8564

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91819834
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46948890
  PAW double counting   =      9487.34979652    -9415.32418755
  entropy T*S    EENTRO =         0.00489152
  eigenvalues    EBANDS =      -338.39885120
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768953 eV

  energy without entropy =      -49.88258105  energy(sigma->0) =      -49.87932003


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.57: real time   19.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.34: real time   21.42

 eigenvalue-minimisations  :  9120
 total energy-change (2. order) :-0.5456404E-06  (-0.7810701E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516377 magnetization 

 Broyden mixing:
  rms(total) = 0.13071E-03    rms(broyden)= 0.13061E-03
  rms(prec ) = 0.15291E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2610
  2.3291  1.0654  0.8247  0.8247

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91266308
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46888743
  PAW double counting   =      9487.40610929    -9415.37966696
  entropy T*S    EENTRO =         0.00489180
  eigenvalues    EBANDS =      -338.40461919
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769007 eV

  energy without entropy =      -49.88258188  energy(sigma->0) =      -49.87932067


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.32: real time   13.35
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.05: real time   15.10

 eigenvalue-minimisations  :  5184
 total energy-change (2. order) : 0.1081498E-06  (-0.6603202E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516495 magnetization 

 Broyden mixing:
  rms(total) = 0.84710E-04    rms(broyden)= 0.84699E-04
  rms(prec ) = 0.91905E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4260
  2.3073  1.8447  1.0827  1.0827  0.8126

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91269447
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46895068
  PAW double counting   =      9487.36628523    -9415.33927093
  entropy T*S    EENTRO =         0.00489196
  eigenvalues    EBANDS =      -338.40522305
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768996 eV

  energy without entropy =      -49.88258192  energy(sigma->0) =      -49.87932062


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   7)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   12.76: real time   12.84
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.79: real time   12.88

 eigenvalue-minimisations  :  4848
 total energy-change (2. order) : 0.5170114E-07  (-0.2663366E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0516495 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.28831406
  Ewald energy   TEWEN  =     -8356.55851873
  -1/2 Hartree   DENC   =     -1870.91380383
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46902486
  PAW double counting   =      9487.34861026    -9415.32083228
  entropy T*S    EENTRO =         0.00489211
  eigenvalues    EBANDS =      -338.40495165
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768991 eV

  energy without entropy =      -49.88258202  energy(sigma->0) =      -49.87932061


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4558       2 -67.4558       3 -67.5443       4 -67.5058       5 -67.5352
       6 -67.5967       7 -67.5352       8 -67.5442       9 -67.5058      10 -58.8790
      11 -59.0051      12 -59.0050      13 -58.6970      14 -58.7452      15 -58.6969
      16 -58.7451
 
 
 
 E-fermi :   6.0209     XC(G=0): -10.7503     alpha+bet :-12.3690


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9120      2.00000
      3     -39.7851      2.00000
      4     -39.6518      2.00000
      5     -39.6514      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.9448      2.00000
      9      -0.6496      2.00000
     10      -0.1265      2.00000
     11       0.1688      2.00000
     12       0.2610      2.00000
     13       0.2921      2.00000
     14       0.4356      2.00000
     15       0.5347      2.00000
     16       0.6072      2.00000
     17       0.6329      2.00000
     18       0.6704      2.00000
     19       0.7442      2.00000
     20       0.8951      2.00000
     21       0.9418      2.00000
     22       1.0526      2.00000
     23       1.0991      2.00000
     24       1.1883      2.00000
     25       1.2208      2.00000
     26       1.2854      2.00000
     27       1.3149      2.00000
     28       1.5822      2.00000
     29       1.6531      2.00000
     30       1.7121      2.00000
     31       1.7411      2.00000
     32       1.7921      2.00000
     33       1.9221      2.00000
     34       1.9406      2.00000
     35       2.1510      2.00000
     36       2.1757      2.00000
     37       2.2759      2.00000
     38       2.3130      2.00000
     39       2.4483      2.00000
     40       2.5342      2.00000
     41       2.5876      2.00000
     42       2.6402      2.00000
     43       2.7253      2.00000
     44       2.8691      2.00000
     45       2.8760      2.00000
     46       2.9082      2.00000
     47       3.0011      2.00000
     48       3.0449      2.00000
     49       3.1040      2.00000
     50       3.1341      2.00000
     51       3.3311      2.00000
     52       3.3852      2.00000
     53       3.5032      2.00000
     54       3.5864      2.00000
     55       3.8954      2.00000
     56       4.0739      2.00000
     57       4.2324      2.00000
     58       4.2349      2.00000
     59       4.9514      2.00000
     60       5.6233      2.01662
     61       6.2819     -0.06914
     62       8.1992     -0.00000
     63       8.2963     -0.00000
     64       8.3270     -0.00000
     65       8.9376     -0.00000
     66       9.6749     -0.00000
     67      10.3878     -0.00000
     68      10.7444     -0.00000
     69      11.4831      0.00000
     70      11.7748      0.00000
     71      11.8283      0.00000
     72      12.0680      0.00000
     73      12.2758      0.00000
     74      12.3522      0.00000
     75      12.5185      0.00000
     76      12.7958      0.00000
     77      13.3000      0.00000
     78      13.6703      0.00000
     79      13.7969      0.00000
     80      14.6460      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6723      2.00000
      9      -0.5725      2.00000
     10      -0.2723      2.00000
     11       0.2611      2.00000
     12       0.2799      2.00000
     13       0.3884      2.00000
     14       0.4654      2.00000
     15       0.5996      2.00000
     16       0.6137      2.00000
     17       0.7317      2.00000
     18       0.8250      2.00000
     19       0.9113      2.00000
     20       0.9371      2.00000
     21       0.9745      2.00000
     22       1.1014      2.00000
     23       1.1181      2.00000
     24       1.1982      2.00000
     25       1.2499      2.00000
     26       1.3519      2.00000
     27       1.3821      2.00000
     28       1.4968      2.00000
     29       1.6276      2.00000
     30       1.6645      2.00000
     31       1.7542      2.00000
     32       1.8226      2.00000
     33       1.8558      2.00000
     34       2.0116      2.00000
     35       2.0337      2.00000
     36       2.1730      2.00000
     37       2.2548      2.00000
     38       2.3618      2.00000
     39       2.4567      2.00000
     40       2.5045      2.00000
     41       2.5656      2.00000
     42       2.6085      2.00000
     43       2.6859      2.00000
     44       2.7363      2.00000
     45       2.8050      2.00000
     46       2.8225      2.00000
     47       2.9256      2.00000
     48       3.0540      2.00000
     49       3.1160      2.00000
     50       3.1980      2.00000
     51       3.2406      2.00000
     52       3.2742      2.00000
     53       3.4200      2.00000
     54       3.6192      2.00000
     55       3.7148      2.00000
     56       3.8513      2.00000
     57       4.0984      2.00000
     58       4.5858      2.00000
     59       5.5133      2.00195
     60       6.2797     -0.06958
     61       6.7982     -0.00000
     62       7.1047     -0.00000
     63       7.7180     -0.00000
     64       8.1717     -0.00000
     65       8.5891     -0.00000
     66       8.7245     -0.00000
     67       9.6422     -0.00000
     68      10.2974     -0.00000
     69      10.6193     -0.00000
     70      10.6675     -0.00000
     71      11.1347     -0.00000
     72      11.7275      0.00000
     73      12.5585      0.00000
     74      12.9493      0.00000
     75      13.2344      0.00000
     76      13.2984      0.00000
     77      13.4844      0.00000
     78      13.8690      0.00000
     79      14.4555      0.00000
     80      14.7181      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0316      2.00000
      9      -0.4125      2.00000
     10      -0.1245      2.00000
     11       0.3219      2.00000
     12       0.4232      2.00000
     13       0.5002      2.00000
     14       0.5867      2.00000
     15       0.6478      2.00000
     16       0.7352      2.00000
     17       0.8395      2.00000
     18       0.9168      2.00000
     19       0.9971      2.00000
     20       1.0424      2.00000
     21       1.0764      2.00000
     22       1.1761      2.00000
     23       1.2299      2.00000
     24       1.2825      2.00000
     25       1.3127      2.00000
     26       1.3606      2.00000
     27       1.4560      2.00000
     28       1.5543      2.00000
     29       1.6061      2.00000
     30       1.7273      2.00000
     31       1.8133      2.00000
     32       1.8599      2.00000
     33       1.9600      2.00000
     34       2.0166      2.00000
     35       2.1113      2.00000
     36       2.1245      2.00000
     37       2.1892      2.00000
     38       2.2540      2.00000
     39       2.3085      2.00000
     40       2.4031      2.00000
     41       2.4907      2.00000
     42       2.5395      2.00000
     43       2.6573      2.00000
     44       2.6950      2.00000
     45       2.7468      2.00000
     46       2.7973      2.00000
     47       2.8420      2.00000
     48       2.9283      2.00000
     49       3.0154      2.00000
     50       3.1018      2.00000
     51       3.1451      2.00000
     52       3.2397      2.00000
     53       3.3652      2.00000
     54       3.4595      2.00000
     55       3.5825      2.00000
     56       3.8236      2.00000
     57       4.6169      2.00000
     58       5.0103      2.00000
     59       5.4489      2.00040
     60       5.7911      2.06897
     61       6.4839     -0.00508
     62       6.8394     -0.00000
     63       6.9864     -0.00000
     64       7.5313     -0.00000
     65       7.9986     -0.00000
     66       8.3472     -0.00000
     67       8.6948     -0.00000
     68       9.4272     -0.00000
     69       9.8076     -0.00000
     70      10.3586     -0.00000
     71      10.4800     -0.00000
     72      10.7940     -0.00000
     73      11.4147     -0.00000
     74      12.1915      0.00000
     75      13.1298      0.00000
     76      13.6914      0.00000
     77      13.7585      0.00000
     78      13.8847      0.00000
     79      14.2942      0.00000
     80      14.6948      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3898      2.00000
      9      -0.1089      2.00000
     10       0.0910      2.00000
     11       0.1642      2.00000
     12       0.4860      2.00000
     13       0.5102      2.00000
     14       0.5622      2.00000
     15       0.6357      2.00000
     16       0.8278      2.00000
     17       0.9193      2.00000
     18       0.9346      2.00000
     19       1.1137      2.00000
     20       1.1691      2.00000
     21       1.1850      2.00000
     22       1.2691      2.00000
     23       1.3724      2.00000
     24       1.3922      2.00000
     25       1.4082      2.00000
     26       1.4781      2.00000
     27       1.5182      2.00000
     28       1.6472      2.00000
     29       1.6853      2.00000
     30       1.7358      2.00000
     31       1.8042      2.00000
     32       1.9133      2.00000
     33       1.9564      2.00000
     34       2.0648      2.00000
     35       2.1478      2.00000
     36       2.1645      2.00000
     37       2.1857      2.00000
     38       2.2817      2.00000
     39       2.3168      2.00000
     40       2.3727      2.00000
     41       2.4653      2.00000
     42       2.4821      2.00000
     43       2.5512      2.00000
     44       2.6421      2.00000
     45       2.6749      2.00000
     46       2.7615      2.00000
     47       2.8045      2.00000
     48       2.8427      2.00000
     49       2.9251      2.00000
     50       3.0641      2.00000
     51       3.1660      2.00000
     52       3.2724      2.00000
     53       3.3672      2.00000
     54       3.5580      2.00000
     55       3.6428      2.00000
     56       3.8256      2.00000
     57       4.1513      2.00000
     58       4.2985      2.00000
     59       5.1384      2.00000
     60       5.8698      1.95545
     61       6.0521      0.73957
     62       6.1764      0.03184
     63       6.8211     -0.00000
     64       7.0811     -0.00000
     65       7.6739     -0.00000
     66       8.2229     -0.00000
     67       8.4888     -0.00000
     68       8.8361     -0.00000
     69       9.4879     -0.00000
     70       9.7778     -0.00000
     71      10.5311     -0.00000
     72      10.9712     -0.00000
     73      11.1469     -0.00000
     74      11.7876      0.00000
     75      12.2878      0.00000
     76      12.7651      0.00000
     77      13.4163      0.00000
     78      13.7825      0.00000
     79      13.9618      0.00000
     80      14.6509      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4442      2.00000
      9      -0.1787      2.00000
     10       0.0376      2.00000
     11       0.1381      2.00000
     12       0.5048      2.00000
     13       0.5275      2.00000
     14       0.7048      2.00000
     15       0.7428      2.00000
     16       0.8753      2.00000
     17       0.9149      2.00000
     18       0.9908      2.00000
     19       1.0686      2.00000
     20       1.0881      2.00000
     21       1.2418      2.00000
     22       1.2817      2.00000
     23       1.3299      2.00000
     24       1.3870      2.00000
     25       1.3959      2.00000
     26       1.4478      2.00000
     27       1.4944      2.00000
     28       1.6705      2.00000
     29       1.7034      2.00000
     30       1.7481      2.00000
     31       1.8051      2.00000
     32       1.8796      2.00000
     33       1.9077      2.00000
     34       2.0452      2.00000
     35       2.0834      2.00000
     36       2.1466      2.00000
     37       2.1633      2.00000
     38       2.2319      2.00000
     39       2.3404      2.00000
     40       2.4440      2.00000
     41       2.4662      2.00000
     42       2.5436      2.00000
     43       2.5859      2.00000
     44       2.6283      2.00000
     45       2.6799      2.00000
     46       2.7358      2.00000
     47       2.8107      2.00000
     48       2.8515      2.00000
     49       2.9121      2.00000
     50       3.1009      2.00000
     51       3.1835      2.00000
     52       3.2090      2.00000
     53       3.5214      2.00000
     54       3.5546      2.00000
     55       3.7451      2.00000
     56       4.2059      2.00000
     57       4.3962      2.00000
     58       4.5689      2.00000
     59       4.7264      2.00000
     60       5.1887      2.00000
     61       5.6198      2.01570
     62       6.0863      0.47812
     63       6.1031      0.36533
     64       7.1077     -0.00000
     65       8.2684     -0.00000
     66       8.4033     -0.00000
     67       8.9102     -0.00000
     68       9.1611     -0.00000
     69       9.2564     -0.00000
     70       9.9651     -0.00000
     71      10.4697     -0.00000
     72      10.6045     -0.00000
     73      11.3592     -0.00000
     74      11.9218      0.00000
     75      12.5805      0.00000
     76      13.1677      0.00000
     77      13.5240      0.00000
     78      13.8800      0.00000
     79      14.1355      0.00000
     80      14.4580      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1621      2.00000
      9      -0.4800      2.00000
     10       0.0251      2.00000
     11       0.1490      2.00000
     12       0.5207      2.00000
     13       0.5892      2.00000
     14       0.6499      2.00000
     15       0.6887      2.00000
     16       0.8209      2.00000
     17       0.8368      2.00000
     18       0.8717      2.00000
     19       0.9598      2.00000
     20       1.0891      2.00000
     21       1.1315      2.00000
     22       1.1871      2.00000
     23       1.2107      2.00000
     24       1.3075      2.00000
     25       1.3407      2.00000
     26       1.3963      2.00000
     27       1.4462      2.00000
     28       1.4792      2.00000
     29       1.6394      2.00000
     30       1.7387      2.00000
     31       1.7628      2.00000
     32       1.8408      2.00000
     33       1.9026      2.00000
     34       1.9612      2.00000
     35       2.0585      2.00000
     36       2.1616      2.00000
     37       2.2267      2.00000
     38       2.2979      2.00000
     39       2.3631      2.00000
     40       2.4413      2.00000
     41       2.5201      2.00000
     42       2.5587      2.00000
     43       2.6058      2.00000
     44       2.6600      2.00000
     45       2.7710      2.00000
     46       2.7952      2.00000
     47       2.8784      2.00000
     48       2.8907      2.00000
     49       3.0486      2.00000
     50       3.0932      2.00000
     51       3.1392      2.00000
     52       3.2134      2.00000
     53       3.3231      2.00000
     54       3.5326      2.00000
     55       3.7023      2.00000
     56       4.1023      2.00000
     57       4.4580      2.00000
     58       4.8492      2.00000
     59       5.4981      2.00137
     60       5.7049      2.04800
     61       6.0858      0.48147
     62       6.3665     -0.03470
     63       6.9730     -0.00000
     64       7.1879     -0.00000
     65       7.5856     -0.00000
     66       8.2238     -0.00000
     67       8.9869     -0.00000
     68       9.2565     -0.00000
     69      10.2412     -0.00000
     70      11.0417     -0.00000
     71      11.3234     -0.00000
     72      11.6879      0.00000
     73      12.1272      0.00000
     74      12.3729      0.00000
     75      12.7941      0.00000
     76      13.4292      0.00000
     77      13.6360      0.00000
     78      13.9060      0.00000
     79      14.2951      0.00000
     80      14.4187      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.7565      2.00000
      9      -0.6346      2.00000
     10       0.0422      2.00000
     11       0.1795      2.00000
     12       0.3293      2.00000
     13       0.3382      2.00000
     14       0.4048      2.00000
     15       0.6261      2.00000
     16       0.6449      2.00000
     17       0.7351      2.00000
     18       0.8142      2.00000
     19       0.8862      2.00000
     20       0.9097      2.00000
     21       1.0612      2.00000
     22       1.0674      2.00000
     23       1.1518      2.00000
     24       1.2193      2.00000
     25       1.2788      2.00000
     26       1.3032      2.00000
     27       1.3341      2.00000
     28       1.4630      2.00000
     29       1.6644      2.00000
     30       1.6825      2.00000
     31       1.7709      2.00000
     32       1.8308      2.00000
     33       1.9020      2.00000
     34       1.9249      2.00000
     35       2.0810      2.00000
     36       2.1558      2.00000
     37       2.2848      2.00000
     38       2.3341      2.00000
     39       2.3834      2.00000
     40       2.4875      2.00000
     41       2.5225      2.00000
     42       2.6197      2.00000
     43       2.7412      2.00000
     44       2.7979      2.00000
     45       2.8270      2.00000
     46       2.8735      2.00000
     47       2.9357      2.00000
     48       3.0259      2.00000
     49       3.0942      2.00000
     50       3.1273      2.00000
     51       3.2117      2.00000
     52       3.2680      2.00000
     53       3.4385      2.00000
     54       3.6809      2.00000
     55       3.7942      2.00000
     56       3.9498      2.00000
     57       4.1243      2.00000
     58       4.8598      2.00000
     59       5.0489      2.00000
     60       5.5647      2.00582
     61       6.7238     -0.00001
     62       7.1787     -0.00000
     63       7.7311     -0.00000
     64       8.2318     -0.00000
     65       8.7088     -0.00000
     66       8.9852     -0.00000
     67       9.3921     -0.00000
     68      10.1947     -0.00000
     69      10.7704     -0.00000
     70      10.8292     -0.00000
     71      11.4173     -0.00000
     72      12.4785      0.00000
     73      12.9024      0.00000
     74      13.0774      0.00000
     75      13.2759      0.00000
     76      13.4472      0.00000
     77      13.8159      0.00000
     78      13.8839      0.00000
     79      14.3153      0.00000
     80      14.4260      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9192      2.00000
      2     -39.9120      2.00000
      3     -39.7851      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.8643      2.00000
      9      -0.8967      2.00000
     10      -0.0306      2.00000
     11       0.1619      2.00000
     12       0.2088      2.00000
     13       0.2941      2.00000
     14       0.4287      2.00000
     15       0.5826      2.00000
     16       0.6116      2.00000
     17       0.6226      2.00000
     18       0.6882      2.00000
     19       0.7742      2.00000
     20       0.8433      2.00000
     21       0.9354      2.00000
     22       1.0392      2.00000
     23       1.0786      2.00000
     24       1.2508      2.00000
     25       1.2997      2.00000
     26       1.3965      2.00000
     27       1.4210      2.00000
     28       1.5905      2.00000
     29       1.6089      2.00000
     30       1.6479      2.00000
     31       1.7032      2.00000
     32       1.8047      2.00000
     33       1.8861      2.00000
     34       1.9440      2.00000
     35       2.1671      2.00000
     36       2.2249      2.00000
     37       2.2315      2.00000
     38       2.2943      2.00000
     39       2.4438      2.00000
     40       2.5016      2.00000
     41       2.6217      2.00000
     42       2.6615      2.00000
     43       2.6698      2.00000
     44       2.8189      2.00000
     45       2.8412      2.00000
     46       2.8851      2.00000
     47       2.9084      2.00000
     48       3.0609      2.00000
     49       3.1100      2.00000
     50       3.1505      2.00000
     51       3.3230      2.00000
     52       3.3671      2.00000
     53       3.4590      2.00000
     54       3.6353      2.00000
     55       3.9597      2.00000
     56       4.2248      2.00000
     57       4.2340      2.00000
     58       4.3491      2.00000
     59       4.8936      2.00000
     60       6.2832     -0.06887
     61       6.4920     -0.00431
     62       6.9253     -0.00000
     63       7.2077     -0.00000
     64       8.8210     -0.00000
     65       9.5566     -0.00000
     66       9.7098     -0.00000
     67       9.9027     -0.00000
     68      10.9891     -0.00000
     69      11.2012     -0.00000
     70      11.2939     -0.00000
     71      11.4611     -0.00000
     72      12.3171      0.00000
     73      12.6988      0.00000
     74      13.1406      0.00000
     75      13.4027      0.00000
     76      13.5306      0.00000
     77      13.8259      0.00000
     78      13.9935      0.00000
     79      14.2763      0.00000
     80      14.5328      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.5837      2.00000
      9      -0.8165      2.00000
     10      -0.1471      2.00000
     11       0.2261      2.00000
     12       0.2640      2.00000
     13       0.4238      2.00000
     14       0.5031      2.00000
     15       0.5754      2.00000
     16       0.6203      2.00000
     17       0.6876      2.00000
     18       0.7865      2.00000
     19       0.8875      2.00000
     20       0.9594      2.00000
     21       0.9833      2.00000
     22       1.0533      2.00000
     23       1.1556      2.00000
     24       1.2165      2.00000
     25       1.2953      2.00000
     26       1.3705      2.00000
     27       1.4013      2.00000
     28       1.5312      2.00000
     29       1.5641      2.00000
     30       1.6198      2.00000
     31       1.6715      2.00000
     32       1.8886      2.00000
     33       1.9679      2.00000
     34       2.0203      2.00000
     35       2.1600      2.00000
     36       2.1863      2.00000
     37       2.2677      2.00000
     38       2.3163      2.00000
     39       2.3644      2.00000
     40       2.3882      2.00000
     41       2.4485      2.00000
     42       2.6551      2.00000
     43       2.6711      2.00000
     44       2.7757      2.00000
     45       2.7924      2.00000
     46       2.8418      2.00000
     47       2.9843      2.00000
     48       3.0108      2.00000
     49       3.1179      2.00000
     50       3.1798      2.00000
     51       3.1894      2.00000
     52       3.3078      2.00000
     53       3.4590      2.00000
     54       3.6487      2.00000
     55       3.7028      2.00000
     56       3.8913      2.00000
     57       4.4382      2.00000
     58       4.9044      2.00000
     59       5.5444      2.00385
     60       5.8575      1.98848
     61       6.5093     -0.00299
     62       7.0419     -0.00000
     63       7.5267     -0.00000
     64       8.0723     -0.00000
     65       8.3194     -0.00000
     66       8.9239     -0.00000
     67       9.4032     -0.00000
     68       9.6712     -0.00000
     69      10.4662     -0.00000
     70      12.0087      0.00000
     71      12.3102      0.00000
     72      12.3998      0.00000
     73      12.5581      0.00000
     74      12.7263      0.00000
     75      12.8570      0.00000
     76      13.3256      0.00000
     77      13.6077      0.00000
     78      13.9228      0.00000
     79      14.0086      0.00000
     80      14.4230      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0275      2.00000
      9      -0.3851      2.00000
     10      -0.1339      2.00000
     11       0.3210      2.00000
     12       0.3985      2.00000
     13       0.4951      2.00000
     14       0.5329      2.00000
     15       0.6728      2.00000
     16       0.7799      2.00000
     17       0.8138      2.00000
     18       0.9325      2.00000
     19       0.9413      2.00000
     20       1.0263      2.00000
     21       1.0739      2.00000
     22       1.1642      2.00000
     23       1.2184      2.00000
     24       1.3069      2.00000
     25       1.3530      2.00000
     26       1.4124      2.00000
     27       1.4778      2.00000
     28       1.5478      2.00000
     29       1.6130      2.00000
     30       1.7522      2.00000
     31       1.8251      2.00000
     32       1.8868      2.00000
     33       1.9239      2.00000
     34       1.9886      2.00000
     35       2.0399      2.00000
     36       2.0825      2.00000
     37       2.1368      2.00000
     38       2.2148      2.00000
     39       2.3120      2.00000
     40       2.4650      2.00000
     41       2.5024      2.00000
     42       2.5645      2.00000
     43       2.6223      2.00000
     44       2.6831      2.00000
     45       2.7970      2.00000
     46       2.8240      2.00000
     47       2.8759      2.00000
     48       2.9243      2.00000
     49       2.9742      2.00000
     50       3.0845      2.00000
     51       3.1720      2.00000
     52       3.2492      2.00000
     53       3.2851      2.00000
     54       3.4713      2.00000
     55       3.6091      2.00000
     56       4.0084      2.00000
     57       4.4757      2.00000
     58       5.2601      2.00000
     59       5.6813      2.03726
     60       5.9034      1.82894
     61       6.2934     -0.06610
     62       6.5265     -0.00204
     63       6.7008     -0.00002
     64       7.4443     -0.00000
     65       7.6903     -0.00000
     66       8.1058     -0.00000
     67       9.1397     -0.00000
     68       9.8254     -0.00000
     69       9.9546     -0.00000
     70      10.1254     -0.00000
     71      11.1026     -0.00000
     72      11.1898     -0.00000
     73      11.7688      0.00000
     74      12.0747      0.00000
     75      12.4231      0.00000
     76      12.7737      0.00000
     77      13.2928      0.00000
     78      13.6746      0.00000
     79      14.0699      0.00000
     80      14.4170      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3902      2.00000
      9      -0.0868      2.00000
     10       0.0697      2.00000
     11       0.1457      2.00000
     12       0.4161      2.00000
     13       0.5179      2.00000
     14       0.6064      2.00000
     15       0.7147      2.00000
     16       0.8520      2.00000
     17       0.9048      2.00000
     18       0.9146      2.00000
     19       1.0958      2.00000
     20       1.1518      2.00000
     21       1.1835      2.00000
     22       1.2464      2.00000
     23       1.3155      2.00000
     24       1.4000      2.00000
     25       1.4610      2.00000
     26       1.4929      2.00000
     27       1.5968      2.00000
     28       1.6687      2.00000
     29       1.7118      2.00000
     30       1.7320      2.00000
     31       1.8365      2.00000
     32       1.8794      2.00000
     33       1.9603      2.00000
     34       1.9817      2.00000
     35       2.0729      2.00000
     36       2.1222      2.00000
     37       2.2345      2.00000
     38       2.3022      2.00000
     39       2.3490      2.00000
     40       2.3893      2.00000
     41       2.4570      2.00000
     42       2.5129      2.00000
     43       2.5274      2.00000
     44       2.6267      2.00000
     45       2.6924      2.00000
     46       2.7317      2.00000
     47       2.7948      2.00000
     48       2.8461      2.00000
     49       2.8732      2.00000
     50       3.0706      2.00000
     51       3.1420      2.00000
     52       3.2711      2.00000
     53       3.3276      2.00000
     54       3.4824      2.00000
     55       3.5895      2.00000
     56       3.7349      2.00000
     57       4.4149      2.00000
     58       4.7757      2.00000
     59       5.1278      2.00000
     60       5.6638      2.02998
     61       5.9466      1.58305
     62       6.2140     -0.04237
     63       6.5198     -0.00238
     64       6.7360     -0.00001
     65       7.7474     -0.00000
     66       8.0547     -0.00000
     67       8.5206     -0.00000
     68       9.3088     -0.00000
     69       9.7471     -0.00000
     70      10.1848     -0.00000
     71      10.8602     -0.00000
     72      10.9736     -0.00000
     73      11.3769     -0.00000
     74      11.5938      0.00000
     75      12.1329      0.00000
     76      12.4637      0.00000
     77      13.1233      0.00000
     78      13.4233      0.00000
     79      14.0218      0.00000
     80      14.2854      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7844      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4409      2.00000
      9      -0.1550      2.00000
     10      -0.0385      2.00000
     11       0.1369      2.00000
     12       0.5483      2.00000
     13       0.6662      2.00000
     14       0.7008      2.00000
     15       0.7299      2.00000
     16       0.7982      2.00000
     17       0.8844      2.00000
     18       0.9548      2.00000
     19       1.0836      2.00000
     20       1.1066      2.00000
     21       1.1378      2.00000
     22       1.2625      2.00000
     23       1.3363      2.00000
     24       1.3680      2.00000
     25       1.3913      2.00000
     26       1.5425      2.00000
     27       1.5847      2.00000
     28       1.6691      2.00000
     29       1.7158      2.00000
     30       1.7643      2.00000
     31       1.8161      2.00000
     32       1.8572      2.00000
     33       1.9618      2.00000
     34       2.0017      2.00000
     35       2.0933      2.00000
     36       2.1615      2.00000
     37       2.2410      2.00000
     38       2.3270      2.00000
     39       2.3399      2.00000
     40       2.4496      2.00000
     41       2.4692      2.00000
     42       2.4964      2.00000
     43       2.5216      2.00000
     44       2.5660      2.00000
     45       2.5816      2.00000
     46       2.7242      2.00000
     47       2.7591      2.00000
     48       2.8142      2.00000
     49       2.8828      2.00000
     50       3.1275      2.00000
     51       3.1634      2.00000
     52       3.2891      2.00000
     53       3.5114      2.00000
     54       3.5739      2.00000
     55       3.6474      2.00000
     56       4.0711      2.00000
     57       4.4111      2.00000
     58       4.5174      2.00000
     59       5.0097      2.00000
     60       5.1499      2.00000
     61       5.8170      2.05409
     62       6.1435      0.14848
     63       6.5108     -0.00289
     64       7.1573     -0.00000
     65       7.2606     -0.00000
     66       7.7690     -0.00000
     67       8.3294     -0.00000
     68       9.5526     -0.00000
     69       9.9858     -0.00000
     70      10.5828     -0.00000
     71      11.0053     -0.00000
     72      11.2596     -0.00000
     73      11.7986      0.00000
     74      12.0367      0.00000
     75      12.2630      0.00000
     76      12.8788      0.00000
     77      13.1456      0.00000
     78      13.3190      0.00000
     79      14.1401      0.00000
     80      14.3307      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6514      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.2079      2.00000
      9      -0.3445      2.00000
     10      -0.0770      2.00000
     11       0.1065      2.00000
     12       0.5490      2.00000
     13       0.5736      2.00000
     14       0.6378      2.00000
     15       0.7139      2.00000
     16       0.8452      2.00000
     17       0.8775      2.00000
     18       0.9455      2.00000
     19       1.0068      2.00000
     20       1.0839      2.00000
     21       1.1122      2.00000
     22       1.1740      2.00000
     23       1.2452      2.00000
     24       1.2631      2.00000
     25       1.3215      2.00000
     26       1.3865      2.00000
     27       1.3939      2.00000
     28       1.5507      2.00000
     29       1.6758      2.00000
     30       1.7007      2.00000
     31       1.8141      2.00000
     32       1.8851      2.00000
     33       1.9308      2.00000
     34       2.0063      2.00000
     35       2.0207      2.00000
     36       2.0562      2.00000
     37       2.1608      2.00000
     38       2.2056      2.00000
     39       2.3989      2.00000
     40       2.4399      2.00000
     41       2.4936      2.00000
     42       2.5411      2.00000
     43       2.6164      2.00000
     44       2.6614      2.00000
     45       2.7699      2.00000
     46       2.8560      2.00000
     47       2.8856      2.00000
     48       2.9228      2.00000
     49       3.0229      2.00000
     50       3.0559      2.00000
     51       3.1046      2.00000
     52       3.1917      2.00000
     53       3.2851      2.00000
     54       3.5289      2.00000
     55       3.6539      2.00000
     56       4.0046      2.00000
     57       4.3369      2.00000
     58       5.3260      2.00001
     59       5.4782      2.00085
     60       5.6695      2.03227
     61       5.8429      2.01925
     62       6.6364     -0.00012
     63       6.9576     -0.00000
     64       7.4553     -0.00000
     65       7.8334     -0.00000
     66       7.8996     -0.00000
     67       8.4589     -0.00000
     68       9.7081     -0.00000
     69       9.9906     -0.00000
     70      10.4217     -0.00000
     71      11.7531      0.00000
     72      12.2501      0.00000
     73      12.5595      0.00000
     74      12.8887      0.00000
     75      13.0905      0.00000
     76      13.3935      0.00000
     77      13.4591      0.00000
     78      13.5462      0.00000
     79      13.8858      0.00000
     80      14.1090      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.7437      2.00000
      9      -0.6699      2.00000
     10       0.0126      2.00000
     11       0.2327      2.00000
     12       0.3190      2.00000
     13       0.3419      2.00000
     14       0.4035      2.00000
     15       0.6274      2.00000
     16       0.6407      2.00000
     17       0.7195      2.00000
     18       0.8121      2.00000
     19       0.8776      2.00000
     20       0.9579      2.00000
     21       1.0198      2.00000
     22       1.0867      2.00000
     23       1.1535      2.00000
     24       1.2296      2.00000
     25       1.2612      2.00000
     26       1.3349      2.00000
     27       1.4009      2.00000
     28       1.4401      2.00000
     29       1.6055      2.00000
     30       1.6809      2.00000
     31       1.7242      2.00000
     32       1.8241      2.00000
     33       1.8773      2.00000
     34       1.9570      2.00000
     35       2.1314      2.00000
     36       2.1949      2.00000
     37       2.2568      2.00000
     38       2.3101      2.00000
     39       2.3989      2.00000
     40       2.5148      2.00000
     41       2.5387      2.00000
     42       2.6113      2.00000
     43       2.7228      2.00000
     44       2.7607      2.00000
     45       2.8033      2.00000
     46       2.8849      2.00000
     47       2.9659      2.00000
     48       2.9982      2.00000
     49       3.1203      2.00000
     50       3.1599      2.00000
     51       3.2115      2.00000
     52       3.2890      2.00000
     53       3.4353      2.00000
     54       3.6319      2.00000
     55       3.7815      2.00000
     56       3.9533      2.00000
     57       4.1585      2.00000
     58       4.5109      2.00000
     59       5.2793      2.00000
     60       6.0589      0.68476
     61       6.5859     -0.00048
     62       6.9953     -0.00000
     63       7.7978     -0.00000
     64       8.0740     -0.00000
     65       8.3374     -0.00000
     66       8.7225     -0.00000
     67       9.6863     -0.00000
     68      10.4585     -0.00000
     69      10.9141     -0.00000
     70      11.0338     -0.00000
     71      11.3103     -0.00000
     72      12.5088      0.00000
     73      12.8861      0.00000
     74      13.0394      0.00000
     75      13.1684      0.00000
     76      13.5059      0.00000
     77      13.5935      0.00000
     78      13.9466      0.00000
     79      14.3561      0.00000
     80      14.4831      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.8567      2.00000
      9      -0.9329      2.00000
     10       0.0393      2.00000
     11       0.1699      2.00000
     12       0.2053      2.00000
     13       0.2887      2.00000
     14       0.4219      2.00000
     15       0.5941      2.00000
     16       0.6119      2.00000
     17       0.6229      2.00000
     18       0.6904      2.00000
     19       0.7228      2.00000
     20       0.8423      2.00000
     21       0.9492      2.00000
     22       1.0878      2.00000
     23       1.1037      2.00000
     24       1.2012      2.00000
     25       1.2705      2.00000
     26       1.3530      2.00000
     27       1.3672      2.00000
     28       1.5511      2.00000
     29       1.6508      2.00000
     30       1.6928      2.00000
     31       1.7100      2.00000
     32       1.8008      2.00000
     33       1.8673      2.00000
     34       1.8974      2.00000
     35       2.1250      2.00000
     36       2.2183      2.00000
     37       2.2542      2.00000
     38       2.3868      2.00000
     39       2.4344      2.00000
     40       2.5274      2.00000
     41       2.5917      2.00000
     42       2.6220      2.00000
     43       2.6796      2.00000
     44       2.8481      2.00000
     45       2.8706      2.00000
     46       2.9858      2.00000
     47       3.0489      2.00000
     48       3.0561      2.00000
     49       3.1290      2.00000
     50       3.1901      2.00000
     51       3.2778      2.00000
     52       3.3158      2.00000
     53       3.5424      2.00000
     54       3.6496      2.00000
     55       3.9195      2.00000
     56       3.9420      2.00000
     57       4.2188      2.00000
     58       4.4091      2.00000
     59       5.0043      2.00000
     60       5.6017      2.01158
     61       6.2256     -0.05480
     62       7.7507     -0.00000
     63       8.1805     -0.00000
     64       8.6191     -0.00000
     65       8.6457     -0.00000
     66       9.7800     -0.00000
     67      10.3975     -0.00000
     68      10.6000     -0.00000
     69      10.8140     -0.00000
     70      11.2544     -0.00000
     71      11.7462      0.00000
     72      12.4737      0.00000
     73      12.7354      0.00000
     74      12.8325      0.00000
     75      13.1466      0.00000
     76      13.2523      0.00000
     77      13.6973      0.00000
     78      14.4299      0.00000
     79      14.4937      0.00000
     80      14.5586      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6553      2.00000
      9      -0.6516      2.00000
     10      -0.2067      2.00000
     11       0.2451      2.00000
     12       0.2915      2.00000
     13       0.4346      2.00000
     14       0.4389      2.00000
     15       0.5899      2.00000
     16       0.6330      2.00000
     17       0.7258      2.00000
     18       0.7818      2.00000
     19       0.8751      2.00000
     20       0.9391      2.00000
     21       0.9843      2.00000
     22       1.0812      2.00000
     23       1.1445      2.00000
     24       1.1787      2.00000
     25       1.2538      2.00000
     26       1.3643      2.00000
     27       1.3773      2.00000
     28       1.4956      2.00000
     29       1.6228      2.00000
     30       1.6461      2.00000
     31       1.7448      2.00000
     32       1.8770      2.00000
     33       1.8975      2.00000
     34       1.9988      2.00000
     35       2.0802      2.00000
     36       2.1797      2.00000
     37       2.2398      2.00000
     38       2.3211      2.00000
     39       2.4033      2.00000
     40       2.4755      2.00000
     41       2.5670      2.00000
     42       2.6339      2.00000
     43       2.7234      2.00000
     44       2.7657      2.00000
     45       2.8220      2.00000
     46       2.8541      2.00000
     47       2.9328      2.00000
     48       3.0226      2.00000
     49       3.0817      2.00000
     50       3.1424      2.00000
     51       3.2286      2.00000
     52       3.2599      2.00000
     53       3.5479      2.00000
     54       3.6735      2.00000
     55       3.7441      2.00000
     56       3.8143      2.00000
     57       4.1006      2.00000
     58       4.9398      2.00000
     59       5.0811      2.00000
     60       5.8260      2.04453
     61       6.8113     -0.00000
     62       7.1854     -0.00000
     63       7.7761     -0.00000
     64       8.6883     -0.00000
     65       8.9462     -0.00000
     66       9.1315     -0.00000
     67       9.4598     -0.00000
     68       9.6246     -0.00000
     69       9.7933     -0.00000
     70      10.9395     -0.00000
     71      11.5685      0.00000
     72      12.1373      0.00000
     73      12.3317      0.00000
     74      12.4816      0.00000
     75      13.1643      0.00000
     76      13.3047      0.00000
     77      13.6974      0.00000
     78      14.0848      0.00000
     79      14.4035      0.00000
     80      14.5390      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6514      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0748      2.00000
      9      -0.2670      2.00000
     10      -0.2101      2.00000
     11       0.2623      2.00000
     12       0.4268      2.00000
     13       0.5243      2.00000
     14       0.5596      2.00000
     15       0.6800      2.00000
     16       0.7906      2.00000
     17       0.8363      2.00000
     18       0.9137      2.00000
     19       1.0044      2.00000
     20       1.0941      2.00000
     21       1.1024      2.00000
     22       1.1487      2.00000
     23       1.2006      2.00000
     24       1.2314      2.00000
     25       1.2786      2.00000
     26       1.3596      2.00000
     27       1.4960      2.00000
     28       1.5820      2.00000
     29       1.6374      2.00000
     30       1.6643      2.00000
     31       1.8214      2.00000
     32       1.8406      2.00000
     33       1.9982      2.00000
     34       2.0060      2.00000
     35       2.0672      2.00000
     36       2.1714      2.00000
     37       2.2067      2.00000
     38       2.2473      2.00000
     39       2.2994      2.00000
     40       2.3743      2.00000
     41       2.5097      2.00000
     42       2.6298      2.00000
     43       2.6574      2.00000
     44       2.7217      2.00000
     45       2.7620      2.00000
     46       2.8051      2.00000
     47       2.8402      2.00000
     48       2.9335      2.00000
     49       2.9549      2.00000
     50       3.0968      2.00000
     51       3.1213      2.00000
     52       3.2105      2.00000
     53       3.4142      2.00000
     54       3.4969      2.00000
     55       3.5872      2.00000
     56       3.6879      2.00000
     57       4.4256      2.00000
     58       4.7983      2.00000
     59       5.4341      2.00027
     60       5.9951      1.21646
     61       6.6071     -0.00027
     62       6.9450     -0.00000
     63       7.0344     -0.00000
     64       7.3339     -0.00000
     65       8.2625     -0.00000
     66       8.5055     -0.00000
     67       8.8286     -0.00000
     68       9.3426     -0.00000
     69       9.9754     -0.00000
     70      10.1827     -0.00000
     71      10.3291     -0.00000
     72      11.0821     -0.00000
     73      11.7783      0.00000
     74      12.1369      0.00000
     75      12.3097      0.00000
     76      12.9734      0.00000
     77      13.7735      0.00000
     78      13.8246      0.00000
     79      14.0889      0.00000
     80      14.2243      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3649      2.00000
      9      -0.1421      2.00000
     10       0.0801      2.00000
     11       0.1475      2.00000
     12       0.4580      2.00000
     13       0.5654      2.00000
     14       0.6379      2.00000
     15       0.6891      2.00000
     16       0.7360      2.00000
     17       0.8935      2.00000
     18       0.9488      2.00000
     19       1.0656      2.00000
     20       1.1485      2.00000
     21       1.1799      2.00000
     22       1.2179      2.00000
     23       1.3244      2.00000
     24       1.3800      2.00000
     25       1.4726      2.00000
     26       1.5364      2.00000
     27       1.5665      2.00000
     28       1.6365      2.00000
     29       1.7147      2.00000
     30       1.7834      2.00000
     31       1.8494      2.00000
     32       1.9089      2.00000
     33       1.9428      2.00000
     34       2.0901      2.00000
     35       2.1488      2.00000
     36       2.1557      2.00000
     37       2.2517      2.00000
     38       2.2632      2.00000
     39       2.3357      2.00000
     40       2.3759      2.00000
     41       2.4191      2.00000
     42       2.5133      2.00000
     43       2.5634      2.00000
     44       2.5974      2.00000
     45       2.6170      2.00000
     46       2.6897      2.00000
     47       2.7746      2.00000
     48       2.7952      2.00000
     49       2.8788      2.00000
     50       3.0732      2.00000
     51       3.1314      2.00000
     52       3.1877      2.00000
     53       3.3676      2.00000
     54       3.5349      2.00000
     55       3.6292      2.00000
     56       3.8865      2.00000
     57       4.3708      2.00000
     58       4.7276      2.00000
     59       5.1011      2.00000
     60       5.6372      2.02060
     61       5.6925      2.04229
     62       6.1972     -0.01608
     63       6.6495     -0.00008
     64       7.0096     -0.00000
     65       7.5060     -0.00000
     66       7.8745     -0.00000
     67       8.9959     -0.00000
     68       9.6022     -0.00000
     69       9.8932     -0.00000
     70      10.0883     -0.00000
     71      10.4748     -0.00000
     72      10.7349     -0.00000
     73      11.0916     -0.00000
     74      11.6176      0.00000
     75      12.2501      0.00000
     76      12.9626      0.00000
     77      13.1791      0.00000
     78      13.9018      0.00000
     79      13.9194      0.00000
     80      14.0591      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4494      2.00000
      9      -0.1471      2.00000
     10      -0.0123      2.00000
     11       0.1316      2.00000
     12       0.5366      2.00000
     13       0.5754      2.00000
     14       0.6465      2.00000
     15       0.7570      2.00000
     16       0.8636      2.00000
     17       0.9528      2.00000
     18       1.0005      2.00000
     19       1.0525      2.00000
     20       1.1086      2.00000
     21       1.1688      2.00000
     22       1.2251      2.00000
     23       1.3161      2.00000
     24       1.3940      2.00000
     25       1.4734      2.00000
     26       1.5047      2.00000
     27       1.5493      2.00000
     28       1.6005      2.00000
     29       1.7162      2.00000
     30       1.7566      2.00000
     31       1.7959      2.00000
     32       1.8982      2.00000
     33       1.9591      2.00000
     34       1.9715      2.00000
     35       2.0556      2.00000
     36       2.1812      2.00000
     37       2.1929      2.00000
     38       2.2896      2.00000
     39       2.3301      2.00000
     40       2.3577      2.00000
     41       2.4772      2.00000
     42       2.4975      2.00000
     43       2.5870      2.00000
     44       2.6173      2.00000
     45       2.6795      2.00000
     46       2.7711      2.00000
     47       2.8031      2.00000
     48       2.8156      2.00000
     49       2.9020      2.00000
     50       3.1245      2.00000
     51       3.1783      2.00000
     52       3.2331      2.00000
     53       3.5180      2.00000
     54       3.5738      2.00000
     55       3.6869      2.00000
     56       3.8808      2.00000
     57       4.4463      2.00000
     58       4.5839      2.00000
     59       4.9793      2.00000
     60       5.4259      2.00021
     61       5.7572      2.06854
     62       5.8244      2.04648
     63       6.7162     -0.00001
     64       6.9929     -0.00000
     65       7.2935     -0.00000
     66       7.5155     -0.00000
     67       9.0286     -0.00000
     68       9.4054     -0.00000
     69      10.1131     -0.00000
     70      10.5224     -0.00000
     71      10.8636     -0.00000
     72      11.2144     -0.00000
     73      11.4073     -0.00000
     74      11.6855      0.00000
     75      12.0213      0.00000
     76      12.6551      0.00000
     77      13.4637      0.00000
     78      13.5671      0.00000
     79      14.0979      0.00000
     80      14.1513      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1371      2.00000
      9      -0.5363      2.00000
     10       0.1059      2.00000
     11       0.1282      2.00000
     12       0.5080      2.00000
     13       0.5859      2.00000
     14       0.6526      2.00000
     15       0.6891      2.00000
     16       0.7996      2.00000
     17       0.8217      2.00000
     18       0.8462      2.00000
     19       0.9376      2.00000
     20       1.0965      2.00000
     21       1.1371      2.00000
     22       1.1780      2.00000
     23       1.2057      2.00000
     24       1.3210      2.00000
     25       1.3651      2.00000
     26       1.4041      2.00000
     27       1.4454      2.00000
     28       1.5132      2.00000
     29       1.5710      2.00000
     30       1.6929      2.00000
     31       1.7372      2.00000
     32       1.8768      2.00000
     33       1.9188      2.00000
     34       1.9736      2.00000
     35       2.1200      2.00000
     36       2.1656      2.00000
     37       2.2429      2.00000
     38       2.2875      2.00000
     39       2.3523      2.00000
     40       2.4265      2.00000
     41       2.5169      2.00000
     42       2.5724      2.00000
     43       2.6623      2.00000
     44       2.6954      2.00000
     45       2.7667      2.00000
     46       2.8096      2.00000
     47       2.8535      2.00000
     48       2.9117      2.00000
     49       2.9635      2.00000
     50       3.0811      2.00000
     51       3.1234      2.00000
     52       3.2090      2.00000
     53       3.3501      2.00000
     54       3.5131      2.00000
     55       3.7038      2.00000
     56       4.1248      2.00000
     57       4.6067      2.00000
     58       4.9830      2.00000
     59       5.3632      2.00003
     60       5.6889      2.04065
     61       6.0307      0.91705
     62       6.2212     -0.05058
     63       6.7039     -0.00002
     64       7.1788     -0.00000
     65       7.6237     -0.00000
     66       8.7447     -0.00000
     67       8.9084     -0.00000
     68       9.3592     -0.00000
     69      10.4064     -0.00000
     70      10.6120     -0.00000
     71      11.0194     -0.00000
     72      11.6272      0.00000
     73      12.2229      0.00000
     74      12.5024      0.00000
     75      12.8221      0.00000
     76      13.3587      0.00000
     77      13.5931      0.00000
     78      14.0798      0.00000
     79      14.2395      0.00000
     80      14.4821      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9188      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6085      2.00000
      7     -39.5953      2.00000
      8      -1.6585      2.00000
      9      -0.8893      2.00000
     10       0.1419      2.00000
     11       0.2610      2.00000
     12       0.3106      2.00000
     13       0.3224      2.00000
     14       0.3989      2.00000
     15       0.6232      2.00000
     16       0.6445      2.00000
     17       0.6660      2.00000
     18       0.7527      2.00000
     19       0.8554      2.00000
     20       0.9366      2.00000
     21       1.0579      2.00000
     22       1.1248      2.00000
     23       1.1807      2.00000
     24       1.2192      2.00000
     25       1.2758      2.00000
     26       1.3793      2.00000
     27       1.3932      2.00000
     28       1.4755      2.00000
     29       1.5931      2.00000
     30       1.6916      2.00000
     31       1.7414      2.00000
     32       1.8460      2.00000
     33       1.8539      2.00000
     34       2.0330      2.00000
     35       2.1586      2.00000
     36       2.1927      2.00000
     37       2.2328      2.00000
     38       2.2645      2.00000
     39       2.3709      2.00000
     40       2.4447      2.00000
     41       2.5162      2.00000
     42       2.6250      2.00000
     43       2.6561      2.00000
     44       2.7811      2.00000
     45       2.8302      2.00000
     46       2.8782      2.00000
     47       2.9549      2.00000
     48       2.9877      2.00000
     49       3.1163      2.00000
     50       3.1887      2.00000
     51       3.2094      2.00000
     52       3.2961      2.00000
     53       3.4798      2.00000
     54       3.7183      2.00000
     55       3.9413      2.00000
     56       3.9654      2.00000
     57       4.1987      2.00000
     58       4.6021      2.00000
     59       5.0577      2.00000
     60       5.6529      2.02588
     61       6.7448     -0.00000
     62       7.3427     -0.00000
     63       7.6664     -0.00000
     64       8.2672     -0.00000
     65       8.4758     -0.00000
     66       8.5685     -0.00000
     67       9.0102     -0.00000
     68       9.2297     -0.00000
     69      11.3385     -0.00000
     70      12.1302      0.00000
     71      12.4216      0.00000
     72      12.6602      0.00000
     73      12.8389      0.00000
     74      13.1001      0.00000
     75      13.2884      0.00000
     76      13.5489      0.00000
     77      13.7133      0.00000
     78      13.7836      0.00000
     79      13.8907      0.00000
     80      14.0677      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.6610      2.00000
      9      -0.7759      2.00000
     10      -0.6011      2.00000
     11       0.0764      2.00000
     12       0.2625      2.00000
     13       0.3777      2.00000
     14       0.3912      2.00000
     15       0.5506      2.00000
     16       0.6307      2.00000
     17       0.7410      2.00000
     18       0.7418      2.00000
     19       0.8361      2.00000
     20       0.8901      2.00000
     21       0.9238      2.00000
     22       1.0486      2.00000
     23       1.1043      2.00000
     24       1.1344      2.00000
     25       1.2355      2.00000
     26       1.3260      2.00000
     27       1.3562      2.00000
     28       1.4884      2.00000
     29       1.6057      2.00000
     30       1.6172      2.00000
     31       1.7826      2.00000
     32       1.9046      2.00000
     33       1.9067      2.00000
     34       2.0929      2.00000
     35       2.1478      2.00000
     36       2.2262      2.00000
     37       2.3508      2.00000
     38       2.4402      2.00000
     39       2.4656      2.00000
     40       2.4723      2.00000
     41       2.5420      2.00000
     42       2.6197      2.00000
     43       2.6811      2.00000
     44       2.6880      2.00000
     45       2.8171      2.00000
     46       2.8735      2.00000
     47       2.9563      2.00000
     48       2.9796      2.00000
     49       3.1531      2.00000
     50       3.2328      2.00000
     51       3.3197      2.00000
     52       3.3405      2.00000
     53       3.4431      2.00000
     54       3.5343      2.00000
     55       3.7181      2.00000
     56       3.7525      2.00000
     57       3.9910      2.00000
     58       4.2032      2.00000
     59       5.8160      2.05495
     60       7.2653     -0.00000
     61       7.4250     -0.00000
     62       7.4638     -0.00000
     63       7.7576     -0.00000
     64       8.2381     -0.00000
     65       8.7270     -0.00000
     66       9.2660     -0.00000
     67       9.8845     -0.00000
     68      10.4838     -0.00000
     69      10.6601     -0.00000
     70      11.2217     -0.00000
     71      11.2658     -0.00000
     72      11.4332     -0.00000
     73      12.4111      0.00000
     74      12.9888      0.00000
     75      13.1493      0.00000
     76      13.1904      0.00000
     77      13.4177      0.00000
     78      13.8913      0.00000
     79      13.9074      0.00000
     80      14.5974      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3931      2.00000
      9      -0.7689      2.00000
     10      -0.4086      2.00000
     11       0.1164      2.00000
     12       0.1918      2.00000
     13       0.4724      2.00000
     14       0.5385      2.00000
     15       0.6261      2.00000
     16       0.6437      2.00000
     17       0.7460      2.00000
     18       0.7603      2.00000
     19       0.9195      2.00000
     20       0.9582      2.00000
     21       0.9922      2.00000
     22       0.9982      2.00000
     23       1.1036      2.00000
     24       1.1683      2.00000
     25       1.1913      2.00000
     26       1.3337      2.00000
     27       1.3556      2.00000
     28       1.5600      2.00000
     29       1.6171      2.00000
     30       1.7307      2.00000
     31       1.7689      2.00000
     32       1.8292      2.00000
     33       1.9645      2.00000
     34       2.0206      2.00000
     35       2.0505      2.00000
     36       2.1503      2.00000
     37       2.2805      2.00000
     38       2.2811      2.00000
     39       2.3626      2.00000
     40       2.5172      2.00000
     41       2.5563      2.00000
     42       2.6464      2.00000
     43       2.7094      2.00000
     44       2.7437      2.00000
     45       2.8003      2.00000
     46       2.8955      2.00000
     47       2.9238      2.00000
     48       3.0140      2.00000
     49       3.1081      2.00000
     50       3.1590      2.00000
     51       3.2226      2.00000
     52       3.3508      2.00000
     53       3.3736      2.00000
     54       3.5673      2.00000
     55       3.7857      2.00000
     56       3.8440      2.00000
     57       3.9893      2.00000
     58       4.2326      2.00000
     59       6.2157     -0.04440
     60       6.5072     -0.00313
     61       7.3898     -0.00000
     62       7.7810     -0.00000
     63       7.8900     -0.00000
     64       8.3534     -0.00000
     65       8.5591     -0.00000
     66       8.8114     -0.00000
     67       8.8386     -0.00000
     68       9.6454     -0.00000
     69      10.2126     -0.00000
     70      10.6333     -0.00000
     71      10.7739     -0.00000
     72      11.1154     -0.00000
     73      11.9492      0.00000
     74      12.3016      0.00000
     75      12.6577      0.00000
     76      13.1709      0.00000
     77      13.6199      0.00000
     78      13.9384      0.00000
     79      14.2771      0.00000
     80      14.6676      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5973      2.00000
      8      -0.9059      2.00000
      9      -0.3806      2.00000
     10      -0.0391      2.00000
     11       0.0623      2.00000
     12       0.4448      2.00000
     13       0.4974      2.00000
     14       0.5991      2.00000
     15       0.6959      2.00000
     16       0.7560      2.00000
     17       0.7600      2.00000
     18       0.8275      2.00000
     19       0.8894      2.00000
     20       1.0031      2.00000
     21       1.0389      2.00000
     22       1.1600      2.00000
     23       1.2383      2.00000
     24       1.2916      2.00000
     25       1.3791      2.00000
     26       1.4192      2.00000
     27       1.4946      2.00000
     28       1.6134      2.00000
     29       1.6587      2.00000
     30       1.7184      2.00000
     31       1.7894      2.00000
     32       1.8399      2.00000
     33       1.9263      2.00000
     34       1.9818      2.00000
     35       2.0322      2.00000
     36       2.0741      2.00000
     37       2.2195      2.00000
     38       2.2556      2.00000
     39       2.2905      2.00000
     40       2.4066      2.00000
     41       2.5553      2.00000
     42       2.6251      2.00000
     43       2.6370      2.00000
     44       2.7110      2.00000
     45       2.7412      2.00000
     46       2.8348      2.00000
     47       2.8704      2.00000
     48       2.9071      2.00000
     49       2.9370      2.00000
     50       3.0362      2.00000
     51       3.1364      2.00000
     52       3.3071      2.00000
     53       3.3428      2.00000
     54       3.4893      2.00000
     55       3.5729      2.00000
     56       3.7535      2.00000
     57       4.4174      2.00000
     58       5.2222      2.00000
     59       5.2917      2.00000
     60       5.9564      1.51589
     61       7.0577     -0.00000
     62       7.1885     -0.00000
     63       7.3411     -0.00000
     64       7.4454     -0.00000
     65       8.1657     -0.00000
     66       8.4081     -0.00000
     67       8.6224     -0.00000
     68       9.0587     -0.00000
     69       9.3309     -0.00000
     70       9.8304     -0.00000
     71      10.7677     -0.00000
     72      10.9759     -0.00000
     73      11.2758     -0.00000
     74      11.6045      0.00000
     75      12.5176      0.00000
     76      13.0954      0.00000
     77      13.4160      0.00000
     78      13.6719      0.00000
     79      13.9109      0.00000
     80      14.1253      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3888      2.00000
      9      -0.0745      2.00000
     10       0.1031      2.00000
     11       0.1590      2.00000
     12       0.4583      2.00000
     13       0.4946      2.00000
     14       0.5532      2.00000
     15       0.6750      2.00000
     16       0.7847      2.00000
     17       0.9119      2.00000
     18       0.9439      2.00000
     19       1.1142      2.00000
     20       1.1685      2.00000
     21       1.2173      2.00000
     22       1.2392      2.00000
     23       1.3311      2.00000
     24       1.4133      2.00000
     25       1.4424      2.00000
     26       1.4879      2.00000
     27       1.5631      2.00000
     28       1.6225      2.00000
     29       1.6630      2.00000
     30       1.7199      2.00000
     31       1.8302      2.00000
     32       1.9144      2.00000
     33       1.9636      2.00000
     34       2.0354      2.00000
     35       2.1084      2.00000
     36       2.1214      2.00000
     37       2.2026      2.00000
     38       2.3004      2.00000
     39       2.3141      2.00000
     40       2.3573      2.00000
     41       2.4697      2.00000
     42       2.5314      2.00000
     43       2.5557      2.00000
     44       2.6287      2.00000
     45       2.6997      2.00000
     46       2.7403      2.00000
     47       2.8165      2.00000
     48       2.8386      2.00000
     49       2.9523      2.00000
     50       3.0747      2.00000
     51       3.1840      2.00000
     52       3.2867      2.00000
     53       3.3436      2.00000
     54       3.4709      2.00000
     55       3.5906      2.00000
     56       3.7898      2.00000
     57       4.0908      2.00000
     58       4.2992      2.00000
     59       5.4718      2.00072
     60       5.8609      1.98005
     61       6.0246      0.96901
     62       6.3385     -0.04723
     63       6.7280     -0.00001
     64       7.1278     -0.00000
     65       7.6079     -0.00000
     66       8.0711     -0.00000
     67       8.3364     -0.00000
     68       8.9240     -0.00000
     69       9.4384     -0.00000
     70      10.2374     -0.00000
     71      10.4202     -0.00000
     72      10.5673     -0.00000
     73      11.3176     -0.00000
     74      11.8295      0.00000
     75      12.1668      0.00000
     76      12.9418      0.00000
     77      13.0168      0.00000
     78      13.6857      0.00000
     79      14.0006      0.00000
     80      14.6427      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6513      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4449      2.00000
      9      -0.1478      2.00000
     10       0.0494      2.00000
     11       0.1346      2.00000
     12       0.4984      2.00000
     13       0.5334      2.00000
     14       0.6335      2.00000
     15       0.7161      2.00000
     16       0.8985      2.00000
     17       0.9229      2.00000
     18       1.0365      2.00000
     19       1.0776      2.00000
     20       1.1380      2.00000
     21       1.1828      2.00000
     22       1.2557      2.00000
     23       1.2979      2.00000
     24       1.3932      2.00000
     25       1.4151      2.00000
     26       1.4601      2.00000
     27       1.5081      2.00000
     28       1.6607      2.00000
     29       1.6989      2.00000
     30       1.7440      2.00000
     31       1.7971      2.00000
     32       1.8750      2.00000
     33       1.9152      2.00000
     34       2.0081      2.00000
     35       2.0801      2.00000
     36       2.1872      2.00000
     37       2.2131      2.00000
     38       2.2848      2.00000
     39       2.3521      2.00000
     40       2.3719      2.00000
     41       2.4521      2.00000
     42       2.5067      2.00000
     43       2.5544      2.00000
     44       2.6565      2.00000
     45       2.6919      2.00000
     46       2.7437      2.00000
     47       2.8142      2.00000
     48       2.8849      2.00000
     49       2.9080      2.00000
     50       3.1124      2.00000
     51       3.1668      2.00000
     52       3.2537      2.00000
     53       3.4785      2.00000
     54       3.5659      2.00000
     55       3.6042      2.00000
     56       3.8992      2.00000
     57       4.3441      2.00000
     58       4.8622      2.00000
     59       5.0043      2.00000
     60       5.2094      2.00000
     61       5.6165      2.01488
     62       5.8125      2.05790
     63       6.7218     -0.00001
     64       7.1828     -0.00000
     65       7.6963     -0.00000
     66       7.8809     -0.00000
     67       8.7078     -0.00000
     68       9.4991     -0.00000
     69       9.9572     -0.00000
     70      10.1292     -0.00000
     71      10.4736     -0.00000
     72      10.5922     -0.00000
     73      11.1476     -0.00000
     74      11.8179      0.00000
     75      12.2370      0.00000
     76      12.7485      0.00000
     77      13.5917      0.00000
     78      14.0683      0.00000
     79      14.3236      0.00000
     80      14.4703      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0788      2.00000
      9      -0.3677      2.00000
     10      -0.1145      2.00000
     11       0.2730      2.00000
     12       0.4388      2.00000
     13       0.5119      2.00000
     14       0.5447      2.00000
     15       0.6825      2.00000
     16       0.7862      2.00000
     17       0.8428      2.00000
     18       0.9200      2.00000
     19       0.9513      2.00000
     20       1.0522      2.00000
     21       1.0850      2.00000
     22       1.1731      2.00000
     23       1.2212      2.00000
     24       1.2705      2.00000
     25       1.3242      2.00000
     26       1.4155      2.00000
     27       1.4559      2.00000
     28       1.5522      2.00000
     29       1.6111      2.00000
     30       1.7725      2.00000
     31       1.8213      2.00000
     32       1.8469      2.00000
     33       1.9675      2.00000
     34       1.9977      2.00000
     35       2.0543      2.00000
     36       2.1073      2.00000
     37       2.1353      2.00000
     38       2.2089      2.00000
     39       2.3317      2.00000
     40       2.4305      2.00000
     41       2.4717      2.00000
     42       2.6068      2.00000
     43       2.6521      2.00000
     44       2.6846      2.00000
     45       2.7896      2.00000
     46       2.8200      2.00000
     47       2.8739      2.00000
     48       2.9262      2.00000
     49       2.9786      2.00000
     50       3.0846      2.00000
     51       3.1313      2.00000
     52       3.2400      2.00000
     53       3.3222      2.00000
     54       3.4526      2.00000
     55       3.6275      2.00000
     56       4.0775      2.00000
     57       4.2791      2.00000
     58       5.1854      2.00000
     59       5.7513      2.06697
     60       5.9283      1.69802
     61       6.1171      0.28121
     62       6.5425     -0.00141
     63       6.7811     -0.00000
     64       7.2730     -0.00000
     65       7.6603     -0.00000
     66       8.3386     -0.00000
     67       9.3845     -0.00000
     68       9.5334     -0.00000
     69       9.9892     -0.00000
     70      10.1786     -0.00000
     71      11.3445     -0.00000
     72      11.5017      0.00000
     73      11.7731      0.00000
     74      11.9570      0.00000
     75      12.2867      0.00000
     76      12.7723      0.00000
     77      13.3602      0.00000
     78      13.6883      0.00000
     79      13.8352      0.00000
     80      14.2109      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6517      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5556      2.00000
      9      -0.5523      2.00000
     10      -0.4638      2.00000
     11       0.2098      2.00000
     12       0.2350      2.00000
     13       0.4731      2.00000
     14       0.5253      2.00000
     15       0.5951      2.00000
     16       0.6337      2.00000
     17       0.6729      2.00000
     18       0.7977      2.00000
     19       0.9033      2.00000
     20       0.9483      2.00000
     21       0.9895      2.00000
     22       1.0154      2.00000
     23       1.1214      2.00000
     24       1.1624      2.00000
     25       1.2212      2.00000
     26       1.3885      2.00000
     27       1.4344      2.00000
     28       1.4879      2.00000
     29       1.5979      2.00000
     30       1.6420      2.00000
     31       1.7285      2.00000
     32       1.8716      2.00000
     33       1.8887      2.00000
     34       2.0169      2.00000
     35       2.1081      2.00000
     36       2.2063      2.00000
     37       2.2690      2.00000
     38       2.3462      2.00000
     39       2.3722      2.00000
     40       2.4413      2.00000
     41       2.5878      2.00000
     42       2.6787      2.00000
     43       2.7062      2.00000
     44       2.7381      2.00000
     45       2.8428      2.00000
     46       2.8674      2.00000
     47       2.8950      2.00000
     48       3.0578      2.00000
     49       3.0930      2.00000
     50       3.1693      2.00000
     51       3.2298      2.00000
     52       3.2357      2.00000
     53       3.5337      2.00000
     54       3.6181      2.00000
     55       3.6543      2.00000
     56       3.8514      2.00000
     57       3.9791      2.00000
     58       4.4850      2.00000
     59       5.6778      2.03575
     60       6.3671     -0.03444
     61       6.7092     -0.00001
     62       7.5094     -0.00000
     63       7.9722     -0.00000
     64       8.6863     -0.00000
     65       8.8832     -0.00000
     66       9.2142     -0.00000
     67       9.3773     -0.00000
     68       9.4740     -0.00000
     69       9.7950     -0.00000
     70      10.5230     -0.00000
     71      11.1878     -0.00000
     72      11.5467      0.00000
     73      12.0648      0.00000
     74      12.2484      0.00000
     75      13.0212      0.00000
     76      13.2525      0.00000
     77      13.2969      0.00000
     78      13.8595      0.00000
     79      14.5950      0.00000
     80      14.6822      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6519      2.00000
      5     -39.6512      2.00000
      6     -39.6093      2.00000
      7     -39.5945      2.00000
      8      -1.6120      2.00000
      9      -0.8253      2.00000
     10      -0.5693      2.00000
     11       0.0743      2.00000
     12       0.1495      2.00000
     13       0.3623      2.00000
     14       0.3913      2.00000
     15       0.5502      2.00000
     16       0.6420      2.00000
     17       0.7658      2.00000
     18       0.7900      2.00000
     19       0.8726      2.00000
     20       0.8767      2.00000
     21       0.9209      2.00000
     22       1.0175      2.00000
     23       1.0316      2.00000
     24       1.0771      2.00000
     25       1.2552      2.00000
     26       1.3105      2.00000
     27       1.3794      2.00000
     28       1.4801      2.00000
     29       1.6266      2.00000
     30       1.6742      2.00000
     31       1.7614      2.00000
     32       1.8381      2.00000
     33       1.9582      2.00000
     34       2.0156      2.00000
     35       2.1725      2.00000
     36       2.2045      2.00000
     37       2.3314      2.00000
     38       2.4287      2.00000
     39       2.4658      2.00000
     40       2.4718      2.00000
     41       2.5154      2.00000
     42       2.6313      2.00000
     43       2.6391      2.00000
     44       2.6597      2.00000
     45       2.8309      2.00000
     46       2.8415      2.00000
     47       2.9519      2.00000
     48       2.9541      2.00000
     49       2.9843      2.00000
     50       3.1951      2.00000
     51       3.2556      2.00000
     52       3.4591      2.00000
     53       3.5531      2.00000
     54       3.6569      2.00000
     55       3.9680      2.00000
     56       4.0684      2.00000
     57       4.2155      2.00000
     58       4.6002      2.00000
     59       5.8690      1.95788
     60       6.1247      0.23954
     61       6.6490     -0.00008
     62       7.3662     -0.00000
     63       8.0063     -0.00000
     64       8.2541     -0.00000
     65       8.6574     -0.00000
     66       9.1148     -0.00000
     67       9.1706     -0.00000
     68      10.9125     -0.00000
     69      11.4444     -0.00000
     70      11.6362      0.00000
     71      11.9471      0.00000
     72      12.3455      0.00000
     73      12.6309      0.00000
     74      13.1703      0.00000
     75      13.2128      0.00000
     76      13.3653      0.00000
     77      13.4034      0.00000
     78      13.8341      0.00000
     79      13.8590      0.00000
     80      14.0931      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6512      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3563      2.00000
      9      -0.6617      2.00000
     10      -0.5401      2.00000
     11       0.0547      2.00000
     12       0.1880      2.00000
     13       0.4681      2.00000
     14       0.5576      2.00000
     15       0.6238      2.00000
     16       0.6370      2.00000
     17       0.7500      2.00000
     18       0.7924      2.00000
     19       0.9133      2.00000
     20       0.9255      2.00000
     21       0.9532      2.00000
     22       0.9842      2.00000
     23       1.1000      2.00000
     24       1.1266      2.00000
     25       1.1803      2.00000
     26       1.3725      2.00000
     27       1.4328      2.00000
     28       1.6003      2.00000
     29       1.6161      2.00000
     30       1.6809      2.00000
     31       1.7240      2.00000
     32       1.7754      2.00000
     33       1.9361      2.00000
     34       2.0215      2.00000
     35       2.0793      2.00000
     36       2.1924      2.00000
     37       2.2142      2.00000
     38       2.2829      2.00000
     39       2.4586      2.00000
     40       2.4822      2.00000
     41       2.5393      2.00000
     42       2.6423      2.00000
     43       2.6857      2.00000
     44       2.7304      2.00000
     45       2.7514      2.00000
     46       2.8477      2.00000
     47       2.8902      2.00000
     48       2.9890      2.00000
     49       3.0688      2.00000
     50       3.1433      2.00000
     51       3.1654      2.00000
     52       3.3195      2.00000
     53       3.4421      2.00000
     54       3.5243      2.00000
     55       3.7674      2.00000
     56       3.8986      2.00000
     57       5.0241      2.00000
     58       5.1325      2.00000
     59       5.6127      2.01396
     60       6.0403      0.83642
     61       6.8616     -0.00000
     62       7.3583     -0.00000
     63       7.5107     -0.00000
     64       7.7027     -0.00000
     65       8.1193     -0.00000
     66       8.2643     -0.00000
     67       9.9532     -0.00000
     68      10.3785     -0.00000
     69      10.5488     -0.00000
     70      11.0052     -0.00000
     71      11.1689     -0.00000
     72      11.6657      0.00000
     73      12.3342      0.00000
     74      12.4656      0.00000
     75      12.9832      0.00000
     76      13.1745      0.00000
     77      13.6601      0.00000
     78      13.7989      0.00000
     79      14.0925      0.00000
     80      14.3701      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -0.8978      2.00000
      9      -0.3632      2.00000
     10      -0.0489      2.00000
     11       0.0289      2.00000
     12       0.4718      2.00000
     13       0.4982      2.00000
     14       0.5832      2.00000
     15       0.6996      2.00000
     16       0.7365      2.00000
     17       0.7742      2.00000
     18       0.8307      2.00000
     19       0.8810      2.00000
     20       1.0002      2.00000
     21       1.0280      2.00000
     22       1.1386      2.00000
     23       1.2441      2.00000
     24       1.3398      2.00000
     25       1.3894      2.00000
     26       1.4632      2.00000
     27       1.5171      2.00000
     28       1.5577      2.00000
     29       1.5954      2.00000
     30       1.7532      2.00000
     31       1.8032      2.00000
     32       1.8736      2.00000
     33       1.9132      2.00000
     34       1.9684      2.00000
     35       2.0217      2.00000
     36       2.1299      2.00000
     37       2.1898      2.00000
     38       2.2313      2.00000
     39       2.2583      2.00000
     40       2.3286      2.00000
     41       2.5587      2.00000
     42       2.6124      2.00000
     43       2.6582      2.00000
     44       2.7258      2.00000
     45       2.7366      2.00000
     46       2.8504      2.00000
     47       2.8779      2.00000
     48       2.9162      2.00000
     49       2.9676      2.00000
     50       3.0494      2.00000
     51       3.1386      2.00000
     52       3.2777      2.00000
     53       3.3540      2.00000
     54       3.4167      2.00000
     55       3.5048      2.00000
     56       3.7179      2.00000
     57       4.7014      2.00000
     58       5.3881      2.00007
     59       5.6360      2.02026
     60       5.8393      2.02552
     61       6.6989     -0.00002
     62       6.9429     -0.00000
     63       7.1078     -0.00000
     64       7.2445     -0.00000
     65       8.4968     -0.00000
     66       8.5872     -0.00000
     67       8.7064     -0.00000
     68       8.9055     -0.00000
     69       9.2525     -0.00000
     70       9.6750     -0.00000
     71      10.8974     -0.00000
     72      11.0854     -0.00000
     73      11.2704     -0.00000
     74      11.8003      0.00000
     75      12.7554      0.00000
     76      13.0089      0.00000
     77      13.5241      0.00000
     78      13.7589      0.00000
     79      13.9957      0.00000
     80      14.3928      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3658      2.00000
      9      -0.1206      2.00000
     10       0.1009      2.00000
     11       0.1749      2.00000
     12       0.4655      2.00000
     13       0.5316      2.00000
     14       0.5916      2.00000
     15       0.6403      2.00000
     16       0.7474      2.00000
     17       0.9044      2.00000
     18       0.9516      2.00000
     19       1.0667      2.00000
     20       1.1538      2.00000
     21       1.1928      2.00000
     22       1.2452      2.00000
     23       1.3192      2.00000
     24       1.3962      2.00000
     25       1.4868      2.00000
     26       1.5133      2.00000
     27       1.5413      2.00000
     28       1.6256      2.00000
     29       1.7208      2.00000
     30       1.7411      2.00000
     31       1.8391      2.00000
     32       1.9085      2.00000
     33       1.9727      2.00000
     34       2.0440      2.00000
     35       2.1131      2.00000
     36       2.1766      2.00000
     37       2.2584      2.00000
     38       2.3087      2.00000
     39       2.3213      2.00000
     40       2.3825      2.00000
     41       2.4327      2.00000
     42       2.5207      2.00000
     43       2.5651      2.00000
     44       2.5846      2.00000
     45       2.6390      2.00000
     46       2.7059      2.00000
     47       2.7619      2.00000
     48       2.8091      2.00000
     49       2.9586      2.00000
     50       3.0486      2.00000
     51       3.1429      2.00000
     52       3.1841      2.00000
     53       3.3350      2.00000
     54       3.5369      2.00000
     55       3.6021      2.00000
     56       3.9592      2.00000
     57       4.1947      2.00000
     58       4.4176      2.00000
     59       5.2794      2.00000
     60       5.8354      2.03183
     61       5.9585      1.50077
     62       6.2595     -0.07059
     63       6.4696     -0.00675
     64       6.9977     -0.00000
     65       7.8671     -0.00000
     66       8.0372     -0.00000
     67       8.8286     -0.00000
     68       9.1488     -0.00000
     69       9.7287     -0.00000
     70       9.8576     -0.00000
     71      10.3742     -0.00000
     72      10.5816     -0.00000
     73      10.9634     -0.00000
     74      11.8539      0.00000
     75      12.4578      0.00000
     76      12.6224      0.00000
     77      13.3267      0.00000
     78      13.7211      0.00000
     79      14.3597      0.00000
     80      14.4507      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4373      2.00000
      9      -0.1368      2.00000
     10      -0.0165      2.00000
     11       0.1325      2.00000
     12       0.5475      2.00000
     13       0.5925      2.00000
     14       0.6481      2.00000
     15       0.7813      2.00000
     16       0.8056      2.00000
     17       0.9261      2.00000
     18       0.9685      2.00000
     19       1.0509      2.00000
     20       1.1119      2.00000
     21       1.1527      2.00000
     22       1.2420      2.00000
     23       1.3400      2.00000
     24       1.3884      2.00000
     25       1.4102      2.00000
     26       1.4908      2.00000
     27       1.5918      2.00000
     28       1.6710      2.00000
     29       1.7219      2.00000
     30       1.7710      2.00000
     31       1.8244      2.00000
     32       1.8895      2.00000
     33       1.9008      2.00000
     34       2.0058      2.00000
     35       2.1271      2.00000
     36       2.1823      2.00000
     37       2.2213      2.00000
     38       2.2465      2.00000
     39       2.3085      2.00000
     40       2.3971      2.00000
     41       2.4568      2.00000
     42       2.4940      2.00000
     43       2.5555      2.00000
     44       2.6231      2.00000
     45       2.6469      2.00000
     46       2.7307      2.00000
     47       2.7747      2.00000
     48       2.8263      2.00000
     49       2.8792      2.00000
     50       3.1372      2.00000
     51       3.1458      2.00000
     52       3.3473      2.00000
     53       3.4740      2.00000
     54       3.5784      2.00000
     55       3.6107      2.00000
     56       3.7783      2.00000
     57       4.3651      2.00000
     58       4.5645      2.00000
     59       5.1278      2.00000
     60       5.6224      2.01637
     61       5.7609      2.06934
     62       6.4087     -0.01939
     63       6.4996     -0.00368
     64       6.8361     -0.00000
     65       6.9993     -0.00000
     66       7.3798     -0.00000
     67       9.1075     -0.00000
     68       9.3489     -0.00000
     69      10.2479     -0.00000
     70      10.5575     -0.00000
     71      10.9184     -0.00000
     72      11.4182     -0.00000
     73      11.5696      0.00000
     74      11.8374      0.00000
     75      12.1814      0.00000
     76      12.6617      0.00000
     77      12.9346      0.00000
     78      13.1011      0.00000
     79      13.9034      0.00000
     80      14.2385      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.1069      2.00000
      9      -0.3064      2.00000
     10      -0.1690      2.00000
     11       0.2356      2.00000
     12       0.4827      2.00000
     13       0.5486      2.00000
     14       0.5772      2.00000
     15       0.6571      2.00000
     16       0.7739      2.00000
     17       0.8589      2.00000
     18       0.9317      2.00000
     19       1.0200      2.00000
     20       1.0930      2.00000
     21       1.1241      2.00000
     22       1.1697      2.00000
     23       1.1939      2.00000
     24       1.2239      2.00000
     25       1.2563      2.00000
     26       1.3582      2.00000
     27       1.4862      2.00000
     28       1.5522      2.00000
     29       1.6400      2.00000
     30       1.6873      2.00000
     31       1.7939      2.00000
     32       1.8412      2.00000
     33       1.9707      2.00000
     34       2.0395      2.00000
     35       2.1031      2.00000
     36       2.1648      2.00000
     37       2.2223      2.00000
     38       2.2436      2.00000
     39       2.3054      2.00000
     40       2.3397      2.00000
     41       2.5287      2.00000
     42       2.6216      2.00000
     43       2.6469      2.00000
     44       2.7224      2.00000
     45       2.7371      2.00000
     46       2.7813      2.00000
     47       2.8212      2.00000
     48       2.9427      2.00000
     49       2.9999      2.00000
     50       3.0676      2.00000
     51       3.1409      2.00000
     52       3.2073      2.00000
     53       3.4282      2.00000
     54       3.4673      2.00000
     55       3.5694      2.00000
     56       3.7211      2.00000
     57       4.5338      2.00000
     58       4.7905      2.00000
     59       5.4111      2.00014
     60       5.9597      1.49241
     61       6.4821     -0.00527
     62       6.8146     -0.00000
     63       7.0938     -0.00000
     64       7.3915     -0.00000
     65       8.0524     -0.00000
     66       8.6701     -0.00000
     67       8.7636     -0.00000
     68       9.3427     -0.00000
     69       9.8366     -0.00000
     70       9.9231     -0.00000
     71      10.6652     -0.00000
     72      11.1763     -0.00000
     73      11.8821      0.00000
     74      12.1941      0.00000
     75      12.6570      0.00000
     76      13.2249      0.00000
     77      13.9613      0.00000
     78      14.0424      0.00000
     79      14.3715      0.00000
     80      14.4138      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.5475      2.00000
      9      -0.6231      2.00000
     10      -0.3810      2.00000
     11       0.1898      2.00000
     12       0.2328      2.00000
     13       0.4369      2.00000
     14       0.5257      2.00000
     15       0.5871      2.00000
     16       0.6325      2.00000
     17       0.6924      2.00000
     18       0.8087      2.00000
     19       0.9169      2.00000
     20       0.9456      2.00000
     21       0.9848      2.00000
     22       1.0482      2.00000
     23       1.1337      2.00000
     24       1.1619      2.00000
     25       1.2517      2.00000
     26       1.2730      2.00000
     27       1.3864      2.00000
     28       1.5933      2.00000
     29       1.6445      2.00000
     30       1.7098      2.00000
     31       1.7605      2.00000
     32       1.8223      2.00000
     33       1.8694      2.00000
     34       1.9928      2.00000
     35       2.0354      2.00000
     36       2.1224      2.00000
     37       2.3104      2.00000
     38       2.3468      2.00000
     39       2.4468      2.00000
     40       2.5165      2.00000
     41       2.5278      2.00000
     42       2.6076      2.00000
     43       2.6762      2.00000
     44       2.7014      2.00000
     45       2.7960      2.00000
     46       2.8463      2.00000
     47       2.9049      2.00000
     48       3.0520      2.00000
     49       3.0957      2.00000
     50       3.2133      2.00000
     51       3.2326      2.00000
     52       3.3010      2.00000
     53       3.4044      2.00000
     54       3.5915      2.00000
     55       3.7984      2.00000
     56       3.8180      2.00000
     57       3.9788      2.00000
     58       4.7535      2.00000
     59       5.6594      2.02828
     60       6.5611     -0.00090
     61       6.8485     -0.00000
     62       7.4491     -0.00000
     63       7.8318     -0.00000
     64       7.8890     -0.00000
     65       8.4232     -0.00000
     66       9.0543     -0.00000
     67       9.2265     -0.00000
     68       9.9906     -0.00000
     69      10.4768     -0.00000
     70      10.7266     -0.00000
     71      11.1412     -0.00000
     72      11.4813      0.00000
     73      12.1373      0.00000
     74      12.6629      0.00000
     75      13.0041      0.00000
     76      13.3591      0.00000
     77      13.4981      0.00000
     78      13.9075      0.00000
     79      14.3211      0.00000
     80      14.5403      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9191      2.00000
      2     -39.9120      2.00000
      3     -39.7850      2.00000
      4     -39.6519      2.00000
      5     -39.6512      2.00000
      6     -39.6092      2.00000
      7     -39.5945      2.00000
      8      -1.6062      2.00000
      9      -0.7800      2.00000
     10      -0.6549      2.00000
     11       0.0681      2.00000
     12       0.1923      2.00000
     13       0.3587      2.00000
     14       0.3888      2.00000
     15       0.5673      2.00000
     16       0.6155      2.00000
     17       0.7291      2.00000
     18       0.7869      2.00000
     19       0.8487      2.00000
     20       0.9105      2.00000
     21       0.9271      2.00000
     22       1.0674      2.00000
     23       1.1160      2.00000
     24       1.1536      2.00000
     25       1.2465      2.00000
     26       1.2613      2.00000
     27       1.2720      2.00000
     28       1.4713      2.00000
     29       1.6055      2.00000
     30       1.6223      2.00000
     31       1.7497      2.00000
     32       1.7914      2.00000
     33       1.9146      2.00000
     34       2.1277      2.00000
     35       2.1602      2.00000
     36       2.3477      2.00000
     37       2.3571      2.00000
     38       2.3946      2.00000
     39       2.4411      2.00000
     40       2.4713      2.00000
     41       2.5388      2.00000
     42       2.6354      2.00000
     43       2.6674      2.00000
     44       2.7311      2.00000
     45       2.8020      2.00000
     46       2.8490      2.00000
     47       2.8993      2.00000
     48       2.9452      2.00000
     49       3.0422      2.00000
     50       3.1801      2.00000
     51       3.2284      2.00000
     52       3.3980      2.00000
     53       3.5934      2.00000
     54       3.6450      2.00000
     55       3.9594      2.00000
     56       4.0601      2.00000
     57       4.2348      2.00000
     58       4.4637      2.00000
     59       5.6826      2.03782
     60       6.2407     -0.06515
     61       6.6946     -0.00002
     62       7.5161     -0.00000
     63       7.8898     -0.00000
     64       8.1383     -0.00000
     65       8.8101     -0.00000
     66       9.3810     -0.00000
     67       9.5949     -0.00000
     68      10.7425     -0.00000
     69      10.8984     -0.00000
     70      11.4768     -0.00000
     71      11.9821      0.00000
     72      12.0829      0.00000
     73      12.5161      0.00000
     74      12.8953      0.00000
     75      13.0122      0.00000
     76      13.2943      0.00000
     77      13.4454      0.00000
     78      13.9041      0.00000
     79      14.0597      0.00000
     80      14.3408      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6513      2.00000
      6     -39.6086      2.00000
      7     -39.5952      2.00000
      8      -1.3884      2.00000
      9      -0.7283      2.00000
     10      -0.4694      2.00000
     11       0.1202      2.00000
     12       0.1882      2.00000
     13       0.4805      2.00000
     14       0.5504      2.00000
     15       0.6311      2.00000
     16       0.6375      2.00000
     17       0.7500      2.00000
     18       0.7704      2.00000
     19       0.9312      2.00000
     20       0.9366      2.00000
     21       0.9546      2.00000
     22       0.9842      2.00000
     23       1.1214      2.00000
     24       1.1645      2.00000
     25       1.1846      2.00000
     26       1.3716      2.00000
     27       1.3827      2.00000
     28       1.5177      2.00000
     29       1.6189      2.00000
     30       1.6336      2.00000
     31       1.7963      2.00000
     32       1.8449      2.00000
     33       1.9643      2.00000
     34       1.9906      2.00000
     35       2.1669      2.00000
     36       2.2051      2.00000
     37       2.2235      2.00000
     38       2.2594      2.00000
     39       2.3088      2.00000
     40       2.5382      2.00000
     41       2.5783      2.00000
     42       2.6261      2.00000
     43       2.6984      2.00000
     44       2.7455      2.00000
     45       2.8170      2.00000
     46       2.9000      2.00000
     47       2.9603      2.00000
     48       3.0060      2.00000
     49       3.1152      2.00000
     50       3.1595      2.00000
     51       3.1999      2.00000
     52       3.3135      2.00000
     53       3.4039      2.00000
     54       3.5616      2.00000
     55       3.7477      2.00000
     56       3.9026      2.00000
     57       4.0358      2.00000
     58       4.2908      2.00000
     59       6.2431     -0.06628
     60       6.6645     -0.00005
     61       7.1187     -0.00000
     62       7.3139     -0.00000
     63       8.0057     -0.00000
     64       8.2290     -0.00000
     65       8.3882     -0.00000
     66       8.7933     -0.00000
     67       9.5645     -0.00000
     68       9.8259     -0.00000
     69      10.1394     -0.00000
     70      10.3469     -0.00000
     71      10.8689     -0.00000
     72      11.3404     -0.00000
     73      12.0527      0.00000
     74      12.2107      0.00000
     75      12.6342      0.00000
     76      13.1426      0.00000
     77      13.5576      0.00000
     78      13.7533      0.00000
     79      14.3205      0.00000
     80      14.6256      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9133      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6513      2.00000
      6     -39.6067      2.00000
      7     -39.5974      2.00000
      8      -0.9122      2.00000
      9      -0.4501      2.00000
     10       0.0463      2.00000
     11       0.0967      2.00000
     12       0.3983      2.00000
     13       0.4990      2.00000
     14       0.6482      2.00000
     15       0.6736      2.00000
     16       0.7401      2.00000
     17       0.7803      2.00000
     18       0.8207      2.00000
     19       0.9069      2.00000
     20       1.0216      2.00000
     21       1.0472      2.00000
     22       1.1260      2.00000
     23       1.2333      2.00000
     24       1.2754      2.00000
     25       1.2975      2.00000
     26       1.3817      2.00000
     27       1.4657      2.00000
     28       1.6751      2.00000
     29       1.7001      2.00000
     30       1.7882      2.00000
     31       1.8256      2.00000
     32       1.8545      2.00000
     33       1.9122      2.00000
     34       1.9736      2.00000
     35       2.0007      2.00000
     36       2.0311      2.00000
     37       2.2387      2.00000
     38       2.2986      2.00000
     39       2.3521      2.00000
     40       2.4845      2.00000
     41       2.5215      2.00000
     42       2.5723      2.00000
     43       2.6911      2.00000
     44       2.7095      2.00000
     45       2.7445      2.00000
     46       2.7648      2.00000
     47       2.8579      2.00000
     48       2.8830      2.00000
     49       2.9162      2.00000
     50       3.0764      2.00000
     51       3.1686      2.00000
     52       3.3338      2.00000
     53       3.3486      2.00000
     54       3.5879      2.00000
     55       3.7537      2.00000
     56       3.8253      2.00000
     57       4.0263      2.00000
     58       4.6312      2.00000
     59       4.8236      2.00000
     60       6.5768     -0.00061
     61       7.0578     -0.00000
     62       7.5105     -0.00000
     63       7.6273     -0.00000
     64       7.8471     -0.00000
     65       8.0333     -0.00000
     66       8.6895     -0.00000
     67       8.9119     -0.00000
     68       9.1879     -0.00000
     69       9.5829     -0.00000
     70       9.6051     -0.00000
     71       9.8055     -0.00000
     72      10.0898     -0.00000
     73      11.4913      0.00000
     74      11.8024      0.00000
     75      11.8816      0.00000
     76      12.9974      0.00000
     77      13.3846      0.00000
     78      13.9828      0.00000
     79      14.2261      0.00000
     80      14.5830      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6038      2.00000
      7     -39.6004      2.00000
      8      -0.3620      2.00000
      9      -0.1199      2.00000
     10       0.1051      2.00000
     11       0.1545      2.00000
     12       0.4197      2.00000
     13       0.5371      2.00000
     14       0.6116      2.00000
     15       0.6946      2.00000
     16       0.7719      2.00000
     17       0.8957      2.00000
     18       0.9381      2.00000
     19       1.0684      2.00000
     20       1.1206      2.00000
     21       1.1843      2.00000
     22       1.2136      2.00000
     23       1.3446      2.00000
     24       1.3941      2.00000
     25       1.4480      2.00000
     26       1.5085      2.00000
     27       1.6586      2.00000
     28       1.7014      2.00000
     29       1.7215      2.00000
     30       1.7403      2.00000
     31       1.8365      2.00000
     32       1.8747      2.00000
     33       1.9362      2.00000
     34       2.0106      2.00000
     35       2.1242      2.00000
     36       2.1643      2.00000
     37       2.2546      2.00000
     38       2.2798      2.00000
     39       2.3495      2.00000
     40       2.3977      2.00000
     41       2.4384      2.00000
     42       2.5290      2.00000
     43       2.5720      2.00000
     44       2.5970      2.00000
     45       2.6440      2.00000
     46       2.6810      2.00000
     47       2.7311      2.00000
     48       2.7946      2.00000
     49       2.8781      2.00000
     50       3.0781      2.00000
     51       3.1282      2.00000
     52       3.1806      2.00000
     53       3.2264      2.00000
     54       3.4910      2.00000
     55       3.6007      2.00000
     56       3.9614      2.00000
     57       4.6275      2.00000
     58       4.7024      2.00000
     59       5.1214      2.00000
     60       5.6495      2.02466
     61       5.7790      2.07084
     62       6.0890      0.45894
     63       6.3855     -0.02713
     64       6.9336     -0.00000
     65       7.6609     -0.00000
     66       8.4574     -0.00000
     67       9.0046     -0.00000
     68       9.3602     -0.00000
     69       9.4774     -0.00000
     70       9.8196     -0.00000
     71      10.6691     -0.00000
     72      11.0252     -0.00000
     73      11.3783     -0.00000
     74      11.7087      0.00000
     75      12.0818      0.00000
     76      12.4194      0.00000
     77      12.7601      0.00000
     78      13.6231      0.00000
     79      13.9663      0.00000
     80      14.1652      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9146      2.00000
      3     -39.7843      2.00000
      4     -39.6514      2.00000
      5     -39.6512      2.00000
      6     -39.6037      2.00000
      7     -39.6005      2.00000
      8      -0.4261      2.00000
      9      -0.1851      2.00000
     10       0.0394      2.00000
     11       0.1396      2.00000
     12       0.5289      2.00000
     13       0.5893      2.00000
     14       0.6798      2.00000
     15       0.7405      2.00000
     16       0.7978      2.00000
     17       0.8779      2.00000
     18       0.9544      2.00000
     19       1.0932      2.00000
     20       1.1103      2.00000
     21       1.2004      2.00000
     22       1.2750      2.00000
     23       1.2965      2.00000
     24       1.3657      2.00000
     25       1.4140      2.00000
     26       1.4668      2.00000
     27       1.5525      2.00000
     28       1.6698      2.00000
     29       1.7441      2.00000
     30       1.7754      2.00000
     31       1.8325      2.00000
     32       1.8495      2.00000
     33       1.9615      2.00000
     34       2.0619      2.00000
     35       2.0949      2.00000
     36       2.1333      2.00000
     37       2.2436      2.00000
     38       2.2800      2.00000
     39       2.2893      2.00000
     40       2.4397      2.00000
     41       2.4771      2.00000
     42       2.4798      2.00000
     43       2.5562      2.00000
     44       2.6268      2.00000
     45       2.6519      2.00000
     46       2.7058      2.00000
     47       2.7937      2.00000
     48       2.8050      2.00000
     49       2.8828      2.00000
     50       3.0930      2.00000
     51       3.1693      2.00000
     52       3.2525      2.00000
     53       3.4850      2.00000
     54       3.5649      2.00000
     55       3.6554      2.00000
     56       4.0642      2.00000
     57       4.5137      2.00000
     58       4.5655      2.00000
     59       4.8302      2.00000
     60       5.1707      2.00000
     61       5.6593      2.02824
     62       6.1401      0.16365
     63       6.4031     -0.02110
     64       7.5683     -0.00000
     65       7.7376     -0.00000
     66       8.0311     -0.00000
     67       8.4205     -0.00000
     68       8.9595     -0.00000
     69       9.6356     -0.00000
     70      10.2620     -0.00000
     71      10.4038     -0.00000
     72      11.2729     -0.00000
     73      11.6945      0.00000
     74      12.2895      0.00000
     75      12.4711      0.00000
     76      12.6297      0.00000
     77      13.3670      0.00000
     78      13.6158      0.00000
     79      14.1774      0.00000
     80      14.3147      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9132      2.00000
      3     -39.7846      2.00000
      4     -39.6515      2.00000
      5     -39.6512      2.00000
      6     -39.6066      2.00000
      7     -39.5974      2.00000
      8      -1.0467      2.00000
      9      -0.4618      2.00000
     10      -0.0785      2.00000
     11       0.3285      2.00000
     12       0.4436      2.00000
     13       0.5151      2.00000
     14       0.5681      2.00000
     15       0.6453      2.00000
     16       0.7489      2.00000
     17       0.8203      2.00000
     18       0.9218      2.00000
     19       0.9926      2.00000
     20       1.0233      2.00000
     21       1.0978      2.00000
     22       1.1865      2.00000
     23       1.2119      2.00000
     24       1.3162      2.00000
     25       1.3406      2.00000
     26       1.3618      2.00000
     27       1.4405      2.00000
     28       1.5066      2.00000
     29       1.6049      2.00000
     30       1.7688      2.00000
     31       1.8428      2.00000
     32       1.8636      2.00000
     33       1.9312      2.00000
     34       1.9884      2.00000
     35       2.0429      2.00000
     36       2.1228      2.00000
     37       2.1948      2.00000
     38       2.2609      2.00000
     39       2.3313      2.00000
     40       2.4516      2.00000
     41       2.4951      2.00000
     42       2.5108      2.00000
     43       2.6515      2.00000
     44       2.6840      2.00000
     45       2.7646      2.00000
     46       2.8036      2.00000
     47       2.8526      2.00000
     48       2.9297      2.00000
     49       3.0251      2.00000
     50       3.0849      2.00000
     51       3.1512      2.00000
     52       3.2232      2.00000
     53       3.3265      2.00000
     54       3.4889      2.00000
     55       3.6533      2.00000
     56       3.8528      2.00000
     57       4.7598      2.00000
     58       5.2141      2.00000
     59       5.3429      2.00002
     60       5.6017      2.01157
     61       6.3451     -0.04420
     62       6.5439     -0.00136
     63       7.2887     -0.00000
     64       7.3904     -0.00000
     65       7.6684     -0.00000
     66       8.0611     -0.00000
     67       8.8583     -0.00000
     68       9.6553     -0.00000
     69       9.9847     -0.00000
     70      10.5015     -0.00000
     71      10.6848     -0.00000
     72      11.0125     -0.00000
     73      11.3088     -0.00000
     74      12.4680      0.00000
     75      13.0260      0.00000
     76      13.3011      0.00000
     77      13.5972      0.00000
     78      14.1306      0.00000
     79      14.2288      0.00000
     80      14.8646      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9187      2.00000
      2     -39.9123      2.00000
      3     -39.7849      2.00000
      4     -39.6518      2.00000
      5     -39.6512      2.00000
      6     -39.6086      2.00000
      7     -39.5953      2.00000
      8      -1.4859      2.00000
      9      -0.7328      2.00000
     10      -0.3571      2.00000
     11       0.1619      2.00000
     12       0.2198      2.00000
     13       0.4641      2.00000
     14       0.5328      2.00000
     15       0.6094      2.00000
     16       0.6332      2.00000
     17       0.6646      2.00000
     18       0.8243      2.00000
     19       0.8804      2.00000
     20       0.9383      2.00000
     21       0.9791      2.00000
     22       0.9967      2.00000
     23       1.1455      2.00000
     24       1.1829      2.00000
     25       1.2486      2.00000
     26       1.3242      2.00000
     27       1.4374      2.00000
     28       1.5485      2.00000
     29       1.5974      2.00000
     30       1.6174      2.00000
     31       1.6920      2.00000
     32       1.8967      2.00000
     33       1.9657      2.00000
     34       2.0196      2.00000
     35       2.0937      2.00000
     36       2.1961      2.00000
     37       2.2590      2.00000
     38       2.3348      2.00000
     39       2.3553      2.00000
     40       2.4560      2.00000
     41       2.4742      2.00000
     42       2.6340      2.00000
     43       2.6760      2.00000
     44       2.7552      2.00000
     45       2.7800      2.00000
     46       2.8309      2.00000
     47       2.9668      2.00000
     48       2.9888      2.00000
     49       3.1188      2.00000
     50       3.1550      2.00000
     51       3.2002      2.00000
     52       3.3073      2.00000
     53       3.3822      2.00000
     54       3.6153      2.00000
     55       3.7830      2.00000
     56       3.8333      2.00000
     57       4.6205      2.00000
     58       5.1334      2.00000
     59       5.6812      2.03722
     60       6.1389      0.16909
     61       6.4457     -0.01049
     62       6.9220     -0.00000
     63       7.2633     -0.00000
     64       7.9436     -0.00000
     65       8.8998     -0.00000
     66       8.9883     -0.00000
     67       9.2271     -0.00000
     68       9.9843     -0.00000
     69      10.0573     -0.00000
     70      11.7073      0.00000
     71      11.9152      0.00000
     72      12.1232      0.00000
     73      12.2409      0.00000
     74      12.4611      0.00000
     75      12.8982      0.00000
     76      13.2983      0.00000
     77      13.5697      0.00000
     78      13.8161      0.00000
     79      13.9604      0.00000
     80      14.4635      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.010   0.030   0.011   0.006  -1.169  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.073  -0.271   0.019  -0.182  -0.014  -1.059   0.225  -0.010   0.145  -0.068   0.013  -0.001   0.171   0.008   0.000
  0.030  -0.271   2.654   0.008  -0.313  -0.025   0.225  -0.697  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.943   0.016  -0.042  -0.010  -0.018  -1.106  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.313   0.016   3.079  -0.013   0.145   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.169  -0.014  -0.025  -0.042  -0.013   1.223   0.017   0.020   0.068   0.018  -0.016   0.005   0.012  -0.007  -0.289  -0.000
 -0.014  -1.059   0.225  -0.010   0.145   0.017   0.979  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.697  -0.018   0.231   0.020  -0.181   0.678   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.010  -0.018  -1.106  -0.007   0.068   0.003   0.025   1.166   0.001   0.020  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.145   0.231  -0.007  -1.017   0.018  -0.108  -0.160   0.001   0.908   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.063  -0.092   0.020   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.70: real time    1.71
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.28831   469.28831   469.28831
  Ewald   -2471.79244 -3173.17151 -2711.61285   -21.83082   -23.10206    12.35730
  Hartree   847.97176   346.14562   676.79614   -14.63563    -2.28691     7.74594
  E(xc)    -540.91674  -541.59226  -541.07133    -0.02596    -0.13425     0.01553
  Local    -594.01593   606.84678  -183.28733    36.00797    24.20181   -19.62235
  n-local  -102.84764   -99.64067  -101.57413     0.30233     0.72609    -0.26366
  augment   723.80867   723.29303   723.35332     0.02517     0.12153    -0.05236
  Kinetic  1668.54532  1668.83473  1668.13896     0.16677     0.49385    -0.16882
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.04131     0.00403     0.03109     0.00982     0.02006     0.01159
  in kB       0.25713     0.02508     0.19350     0.06114     0.12486     0.07212
  external pressure =        0.16 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.43
      direct lattice vectors                 reciprocal lattice vectors
     4.098621889 -0.101774007  0.141639606     0.243692473  0.100387897  0.080581805
    -3.909757378  8.754774566  0.917142993     0.002769632  0.115185692  0.002620990
    -2.321668729 -0.106969479  7.154364847    -0.005179587 -0.016753500  0.137843488

  length of vectors
     4.102331180  9.631896580  7.522401513     0.275603299  0.115248792  0.138954435


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.158E+03 0.254E+02   0.384E+01 0.161E+03 -.257E+02   -.166E+00 -.282E+01 0.299E+00   0.281E-04 -.542E-04 -.134E-03
   0.368E+01 0.158E+03 -.254E+02   -.384E+01 -.161E+03 0.257E+02   0.166E+00 0.282E+01 -.300E+00   -.292E-04 0.512E-04 0.134E-03
   0.317E+01 0.145E+03 0.754E+01   -.326E+01 -.147E+03 -.736E+01   0.929E-01 0.128E+01 -.178E+00   0.473E-04 0.278E-04 0.994E-04
   -.909E-01 -.686E+02 -.416E+02   0.974E-01 0.683E+02 0.425E+02   -.712E-02 0.336E+00 -.852E+00   0.219E-05 -.169E-04 -.900E-04
   0.628E+01 0.973E+02 -.972E+02   -.634E+01 -.986E+02 0.986E+02   0.632E-01 0.126E+01 -.139E+01   0.260E-04 0.325E-04 0.745E-04
   -.123E-01 0.295E-02 -.124E-01   0.123E-01 -.311E-02 0.125E-01   0.231E-03 0.677E-04 -.419E-04   0.253E-05 -.177E-05 -.105E-05
   -.624E+01 -.973E+02 0.972E+02   0.631E+01 0.986E+02 -.986E+02   -.640E-01 -.126E+01 0.139E+01   -.270E-04 -.302E-04 -.764E-04
   -.315E+01 -.145E+03 -.755E+01   0.325E+01 0.147E+03 0.737E+01   -.934E-01 -.128E+01 0.178E+00   -.506E-04 -.289E-04 -.968E-04
   0.584E-01 0.686E+02 0.416E+02   -.655E-01 -.683E+02 -.424E+02   0.826E-02 -.335E+00 0.853E+00   -.485E-05 0.269E-04 0.922E-04
   0.709E-02 0.116E-02 -.670E-03   -.690E-02 -.124E-02 0.535E-03   -.187E-03 0.167E-03 0.534E-04   0.108E-05 -.237E-05 0.212E-06
   0.940E+00 0.959E+01 -.281E+02   -.945E+00 -.941E+01 0.280E+02   0.490E-02 -.189E+00 0.994E-01   0.369E-05 0.506E-05 -.731E-05
   -.950E+00 -.959E+01 0.281E+02   0.955E+00 0.941E+01 -.280E+02   -.477E-02 0.189E+00 -.995E-01   -.335E-05 -.488E-05 0.701E-05
   0.757E+00 -.920E+01 -.205E+02   -.713E+00 0.924E+01 0.202E+02   -.438E-01 -.393E-01 0.271E+00   -.151E-05 -.110E-04 -.250E-05
   -.170E+01 -.621E+02 0.436E+01   0.169E+01 0.620E+02 -.462E+01   0.502E-02 0.686E-01 0.250E+00   -.362E-06 -.470E-05 0.215E-04
   -.753E+00 0.921E+01 0.205E+02   0.709E+00 -.925E+01 -.202E+02   0.436E-01 0.396E-01 -.271E+00   0.238E-05 0.953E-05 0.228E-05
   0.169E+01 0.621E+02 -.436E+01   -.168E+01 -.620E+02 0.461E+01   -.487E-02 -.684E-01 -.250E+00   0.568E-06 0.525E-05 -.224E-04
 -----------------------------------------------------------------------------------------------
   -.140E-03 0.333E-04 -.401E-04   0.355E-14 0.114E-12 -.586E-13   0.176E-03 0.880E-03 0.565E-04   -.303E-05 0.328E-05 0.140E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07070      6.35922      7.88706        -0.000326     -0.001634     -0.000111
     -2.91087      8.15226      4.53385         0.000362      0.001448      0.000004
     -1.04424      1.16111      4.62317        -0.000013     -0.000545      0.000698
     -2.90159      5.24052      2.40479        -0.000654      0.002008     -0.011558
      1.19211      1.83206      0.30995        -0.000083      0.001761      0.005293
     -3.08523      2.92921      5.68107         0.000234     -0.000149      0.000112
     -0.94222      4.03154      4.03947        -0.000516     -0.001611     -0.005725
     -1.02756      4.59565      6.88047        -0.000163      0.000173     -0.000386
      3.15129      0.62305      1.94453         0.001209     -0.002032      0.011684
     -5.03998      7.30664      6.13962        -0.000002      0.000031     -0.000083
     -0.84862      3.63601      1.26108        -0.000393     -0.001379     -0.001832
      1.09828      2.22768      3.08828         0.000370      0.001599      0.001829
     -0.85047      6.70187      3.45542         0.000172      0.003259     -0.003473
     -2.99609      5.53045      5.14348        -0.000813      0.000664     -0.004900
     -2.80946      7.91656      1.81109        -0.000327     -0.002942      0.003567
      0.92427      0.22619      6.36023         0.000945     -0.000652      0.004879
 -----------------------------------------------------------------------------------
    total drift:                                0.000033      0.000916      0.000018


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87768991 eV

  energy  without entropy=      -49.88258202  energy(sigma->0) =      -49.87932061
 
 d Force = 0.1721904E-04[ 0.155E-04, 0.190E-04]  d Energy = 0.9070012E-05 0.815E-05
 d Force =-0.1503280E+00[-0.151E+00,-0.150E+00]  d Ewald  = 0.6207704E+00-0.771E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  139.75: real time  140.26


----------------------------------------- Iteration   13(   1)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.62: real time   15.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.38: real time   17.43

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.1773006E-04  (-0.2113725E-03)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0465778 magnetization 

 Broyden mixing:
  rms(total) = 0.29341E-02    rms(broyden)= 0.29341E-02
  rms(prec ) = 0.40384E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1871.04711303
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.48282913
  PAW double counting   =      9487.34774722    -9415.31978165
  entropy T*S    EENTRO =         0.00490161
  eigenvalues    EBANDS =      -338.08957464
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87770769 eV

  energy without entropy =      -49.88260930  energy(sigma->0) =      -49.87934156


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.35: real time   17.40
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.10: real time   19.15

 eigenvalue-minimisations  :  7744
 total energy-change (2. order) : 0.1850562E-04  (-0.9794137E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0510162 magnetization 

 Broyden mixing:
  rms(total) = 0.12004E-02    rms(broyden)= 0.12004E-02
  rms(prec ) = 0.12677E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7793
  0.7793

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82899198
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47394166
  PAW double counting   =      9487.44373412    -9415.42115486
  entropy T*S    EENTRO =         0.00488915
  eigenvalues    EBANDS =      -338.29339095
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768919 eV

  energy without entropy =      -49.88257834  energy(sigma->0) =      -49.87931891


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.62: real time   19.68
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.38: real time   21.45

 eigenvalue-minimisations  :  9136
 total energy-change (2. order) :-0.3873229E-06  (-0.3640283E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0513282 magnetization 

 Broyden mixing:
  rms(total) = 0.78878E-03    rms(broyden)= 0.78875E-03
  rms(prec ) = 0.82366E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5113
  1.0394  1.9831

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82684605
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47342762
  PAW double counting   =      9487.54375066    -9415.52119064
  entropy T*S    EENTRO =         0.00488891
  eigenvalues    EBANDS =      -338.29500374
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87768958 eV

  energy without entropy =      -49.88257849  energy(sigma->0) =      -49.87931921


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.86: real time   17.91
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.60: real time   19.66

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) :-0.8168117E-06  (-0.6023300E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0513401 magnetization 

 Broyden mixing:
  rms(total) = 0.15803E-03    rms(broyden)= 0.15803E-03
  rms(prec ) = 0.16773E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4158
  2.3845  1.0068  0.8560

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82449528
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47263309
  PAW double counting   =      9487.76355618    -9415.74054029
  entropy T*S    EENTRO =         0.00488767
  eigenvalues    EBANDS =      -338.29701543
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769039 eV

  energy without entropy =      -49.88257807  energy(sigma->0) =      -49.87931962


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   14.33: real time   14.38
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   16.08: real time   16.13

 eigenvalue-minimisations  :  5840
 total energy-change (2. order) :-0.2027791E-06  (-0.1014297E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0513459 magnetization 

 Broyden mixing:
  rms(total) = 0.48356E-04    rms(broyden)= 0.48343E-04
  rms(prec ) = 0.56753E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2858
  2.3405  1.0878  0.8573  0.8573

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82229951
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47239312
  PAW double counting   =      9487.78676147    -9415.76339900
  entropy T*S    EENTRO =         0.00488779
  eigenvalues    EBANDS =      -338.29931814
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769060 eV

  energy without entropy =      -49.88257838  energy(sigma->0) =      -49.87931986


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   12.30: real time   12.33
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   12.33: real time   12.36

 eigenvalue-minimisations  :  4576
 total energy-change (2. order) : 0.2523120E-07  (-0.2308047E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0513459 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.34096917
  Ewald energy   TEWEN  =     -8356.80726081
  -1/2 Hartree   DENC   =     -1870.82224742
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47240529
  PAW double counting   =      9487.77155648    -9415.74795249
  entropy T*S    EENTRO =         0.00488785
  eigenvalues    EBANDS =      -338.29962396
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87769057 eV

  energy without entropy =      -49.88257842  energy(sigma->0) =      -49.87931985


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4549       2 -67.4549       3 -67.5434       4 -67.5048       5 -67.5343
       6 -67.5959       7 -67.5343       8 -67.5434       9 -67.5049      10 -58.8776
      11 -59.0035      12 -59.0035      13 -58.6958      14 -58.7439      15 -58.6957
      16 -58.7438
 
 
 
 E-fermi :   6.0221     XC(G=0): -10.7509     alpha+bet :-12.3704


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7837      2.00000
      4     -39.6505      2.00000
      5     -39.6501      2.00000
      6     -39.6080      2.00000
      7     -39.5934      2.00000
      8      -1.9445      2.00000
      9      -0.6492      2.00000
     10      -0.1260      2.00000
     11       0.1691      2.00000
     12       0.2615      2.00000
     13       0.2926      2.00000
     14       0.4360      2.00000
     15       0.5353      2.00000
     16       0.6077      2.00000
     17       0.6334      2.00000
     18       0.6710      2.00000
     19       0.7447      2.00000
     20       0.8957      2.00000
     21       0.9424      2.00000
     22       1.0532      2.00000
     23       1.0997      2.00000
     24       1.1889      2.00000
     25       1.2215      2.00000
     26       1.2861      2.00000
     27       1.3155      2.00000
     28       1.5829      2.00000
     29       1.6538      2.00000
     30       1.7129      2.00000
     31       1.7419      2.00000
     32       1.7930      2.00000
     33       1.9230      2.00000
     34       1.9415      2.00000
     35       2.1519      2.00000
     36       2.1765      2.00000
     37       2.2769      2.00000
     38       2.3138      2.00000
     39       2.4493      2.00000
     40       2.5350      2.00000
     41       2.5885      2.00000
     42       2.6412      2.00000
     43       2.7263      2.00000
     44       2.8702      2.00000
     45       2.8770      2.00000
     46       2.9092      2.00000
     47       3.0021      2.00000
     48       3.0459      2.00000
     49       3.1051      2.00000
     50       3.1352      2.00000
     51       3.3322      2.00000
     52       3.3862      2.00000
     53       3.5043      2.00000
     54       3.5876      2.00000
     55       3.8968      2.00000
     56       4.0750      2.00000
     57       4.2336      2.00000
     58       4.2360      2.00000
     59       4.9526      2.00000
     60       5.6245      2.01663
     61       6.2831     -0.06915
     62       8.2005     -0.00000
     63       8.2976     -0.00000
     64       8.3283     -0.00000
     65       8.9391     -0.00000
     66       9.6764     -0.00000
     67      10.3892     -0.00000
     68      10.7461     -0.00000
     69      11.4847      0.00000
     70      11.7768      0.00000
     71      11.8299      0.00000
     72      12.0698      0.00000
     73      12.2776      0.00000
     74      12.3541      0.00000
     75      12.5204      0.00000
     76      12.7973      0.00000
     77      13.3016      0.00000
     78      13.6725      0.00000
     79      13.7987      0.00000
     80      14.6482      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6720      2.00000
      9      -0.5721      2.00000
     10      -0.2718      2.00000
     11       0.2614      2.00000
     12       0.2804      2.00000
     13       0.3889      2.00000
     14       0.4659      2.00000
     15       0.6000      2.00000
     16       0.6142      2.00000
     17       0.7323      2.00000
     18       0.8255      2.00000
     19       0.9119      2.00000
     20       0.9377      2.00000
     21       0.9750      2.00000
     22       1.1021      2.00000
     23       1.1188      2.00000
     24       1.1988      2.00000
     25       1.2505      2.00000
     26       1.3526      2.00000
     27       1.3828      2.00000
     28       1.4975      2.00000
     29       1.6283      2.00000
     30       1.6652      2.00000
     31       1.7550      2.00000
     32       1.8234      2.00000
     33       1.8567      2.00000
     34       2.0124      2.00000
     35       2.0346      2.00000
     36       2.1739      2.00000
     37       2.2557      2.00000
     38       2.3627      2.00000
     39       2.4577      2.00000
     40       2.5054      2.00000
     41       2.5665      2.00000
     42       2.6094      2.00000
     43       2.6868      2.00000
     44       2.7373      2.00000
     45       2.8060      2.00000
     46       2.8235      2.00000
     47       2.9266      2.00000
     48       3.0551      2.00000
     49       3.1171      2.00000
     50       3.1991      2.00000
     51       3.2417      2.00000
     52       3.2753      2.00000
     53       3.4211      2.00000
     54       3.6203      2.00000
     55       3.7160      2.00000
     56       3.8525      2.00000
     57       4.0996      2.00000
     58       4.5870      2.00000
     59       5.5145      2.00195
     60       6.2807     -0.06961
     61       6.7997     -0.00000
     62       7.1060     -0.00000
     63       7.7193     -0.00000
     64       8.1730     -0.00000
     65       8.5907     -0.00000
     66       8.7259     -0.00000
     67       9.6437     -0.00000
     68      10.2988     -0.00000
     69      10.6210     -0.00000
     70      10.6691     -0.00000
     71      11.1363     -0.00000
     72      11.7292      0.00000
     73      12.5603      0.00000
     74      12.9511      0.00000
     75      13.2361      0.00000
     76      13.3000      0.00000
     77      13.4863      0.00000
     78      13.8711      0.00000
     79      14.4574      0.00000
     80      14.7197      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0312      2.00000
      9      -0.4121      2.00000
     10      -0.1240      2.00000
     11       0.3224      2.00000
     12       0.4238      2.00000
     13       0.5007      2.00000
     14       0.5871      2.00000
     15       0.6483      2.00000
     16       0.7357      2.00000
     17       0.8401      2.00000
     18       0.9174      2.00000
     19       0.9976      2.00000
     20       1.0429      2.00000
     21       1.0771      2.00000
     22       1.1768      2.00000
     23       1.2307      2.00000
     24       1.2832      2.00000
     25       1.3133      2.00000
     26       1.3613      2.00000
     27       1.4567      2.00000
     28       1.5550      2.00000
     29       1.6069      2.00000
     30       1.7281      2.00000
     31       1.8142      2.00000
     32       1.8607      2.00000
     33       1.9608      2.00000
     34       2.0175      2.00000
     35       2.1122      2.00000
     36       2.1253      2.00000
     37       2.1901      2.00000
     38       2.2549      2.00000
     39       2.3093      2.00000
     40       2.4040      2.00000
     41       2.4916      2.00000
     42       2.5405      2.00000
     43       2.6582      2.00000
     44       2.6959      2.00000
     45       2.7478      2.00000
     46       2.7984      2.00000
     47       2.8430      2.00000
     48       2.9293      2.00000
     49       3.0165      2.00000
     50       3.1028      2.00000
     51       3.1462      2.00000
     52       3.2407      2.00000
     53       3.3662      2.00000
     54       3.4606      2.00000
     55       3.5836      2.00000
     56       3.8247      2.00000
     57       4.6181      2.00000
     58       5.0116      2.00000
     59       5.4501      2.00040
     60       5.7925      2.06890
     61       6.4852     -0.00507
     62       6.8406     -0.00000
     63       6.9875     -0.00000
     64       7.5325     -0.00000
     65       8.0000     -0.00000
     66       8.3487     -0.00000
     67       8.6960     -0.00000
     68       9.4288     -0.00000
     69       9.8092     -0.00000
     70      10.3601     -0.00000
     71      10.4818     -0.00000
     72      10.7956     -0.00000
     73      11.4167     -0.00000
     74      12.1933      0.00000
     75      13.1316      0.00000
     76      13.6930      0.00000
     77      13.7602      0.00000
     78      13.8862      0.00000
     79      14.2962      0.00000
     80      14.6965      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3895      2.00000
      9      -0.1085      2.00000
     10       0.0915      2.00000
     11       0.1646      2.00000
     12       0.4865      2.00000
     13       0.5108      2.00000
     14       0.5627      2.00000
     15       0.6362      2.00000
     16       0.8284      2.00000
     17       0.9198      2.00000
     18       0.9352      2.00000
     19       1.1143      2.00000
     20       1.1697      2.00000
     21       1.1857      2.00000
     22       1.2696      2.00000
     23       1.3731      2.00000
     24       1.3929      2.00000
     25       1.4088      2.00000
     26       1.4789      2.00000
     27       1.5190      2.00000
     28       1.6479      2.00000
     29       1.6861      2.00000
     30       1.7365      2.00000
     31       1.8050      2.00000
     32       1.9141      2.00000
     33       1.9573      2.00000
     34       2.0656      2.00000
     35       2.1487      2.00000
     36       2.1654      2.00000
     37       2.1866      2.00000
     38       2.2826      2.00000
     39       2.3177      2.00000
     40       2.3736      2.00000
     41       2.4661      2.00000
     42       2.4831      2.00000
     43       2.5521      2.00000
     44       2.6430      2.00000
     45       2.6758      2.00000
     46       2.7625      2.00000
     47       2.8055      2.00000
     48       2.8437      2.00000
     49       2.9261      2.00000
     50       3.0650      2.00000
     51       3.1671      2.00000
     52       3.2734      2.00000
     53       3.3682      2.00000
     54       3.5591      2.00000
     55       3.6439      2.00000
     56       3.8268      2.00000
     57       4.1526      2.00000
     58       4.2996      2.00000
     59       5.1396      2.00000
     60       5.8709      1.95574
     61       6.0529      0.74250
     62       6.1778      0.03122
     63       6.8225     -0.00000
     64       7.0824     -0.00000
     65       7.6754     -0.00000
     66       8.2242     -0.00000
     67       8.4900     -0.00000
     68       8.8376     -0.00000
     69       9.4895     -0.00000
     70       9.7795     -0.00000
     71      10.5328     -0.00000
     72      10.9729     -0.00000
     73      11.1489     -0.00000
     74      11.7894      0.00000
     75      12.2897      0.00000
     76      12.7668      0.00000
     77      13.4181      0.00000
     78      13.7844      0.00000
     79      13.9636      0.00000
     80      14.6527      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6500      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4438      2.00000
      9      -0.1784      2.00000
     10       0.0381      2.00000
     11       0.1385      2.00000
     12       0.5054      2.00000
     13       0.5280      2.00000
     14       0.7054      2.00000
     15       0.7434      2.00000
     16       0.8759      2.00000
     17       0.9155      2.00000
     18       0.9914      2.00000
     19       1.0693      2.00000
     20       1.0887      2.00000
     21       1.2424      2.00000
     22       1.2823      2.00000
     23       1.3306      2.00000
     24       1.3877      2.00000
     25       1.3967      2.00000
     26       1.4486      2.00000
     27       1.4951      2.00000
     28       1.6712      2.00000
     29       1.7041      2.00000
     30       1.7489      2.00000
     31       1.8059      2.00000
     32       1.8804      2.00000
     33       1.9084      2.00000
     34       2.0461      2.00000
     35       2.0843      2.00000
     36       2.1475      2.00000
     37       2.1641      2.00000
     38       2.2328      2.00000
     39       2.3413      2.00000
     40       2.4450      2.00000
     41       2.4671      2.00000
     42       2.5445      2.00000
     43       2.5869      2.00000
     44       2.6294      2.00000
     45       2.6807      2.00000
     46       2.7368      2.00000
     47       2.8118      2.00000
     48       2.8525      2.00000
     49       2.9131      2.00000
     50       3.1020      2.00000
     51       3.1846      2.00000
     52       3.2100      2.00000
     53       3.5226      2.00000
     54       3.5557      2.00000
     55       3.7461      2.00000
     56       4.2070      2.00000
     57       4.3974      2.00000
     58       4.5701      2.00000
     59       4.7277      2.00000
     60       5.1898      2.00000
     61       5.6212      2.01575
     62       6.0874      0.47852
     63       6.1040      0.36684
     64       7.1089     -0.00000
     65       8.2698     -0.00000
     66       8.4049     -0.00000
     67       8.9117     -0.00000
     68       9.1626     -0.00000
     69       9.2580     -0.00000
     70       9.9667     -0.00000
     71      10.4713     -0.00000
     72      10.6061     -0.00000
     73      11.3607     -0.00000
     74      11.9235      0.00000
     75      12.5822      0.00000
     76      13.1698      0.00000
     77      13.5258      0.00000
     78      13.8820      0.00000
     79      14.1375      0.00000
     80      14.4597      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5963      2.00000
      8      -1.1618      2.00000
      9      -0.4796      2.00000
     10       0.0256      2.00000
     11       0.1495      2.00000
     12       0.5212      2.00000
     13       0.5897      2.00000
     14       0.6503      2.00000
     15       0.6893      2.00000
     16       0.8215      2.00000
     17       0.8374      2.00000
     18       0.8723      2.00000
     19       0.9604      2.00000
     20       1.0897      2.00000
     21       1.1321      2.00000
     22       1.1877      2.00000
     23       1.2113      2.00000
     24       1.3081      2.00000
     25       1.3414      2.00000
     26       1.3970      2.00000
     27       1.4469      2.00000
     28       1.4799      2.00000
     29       1.6401      2.00000
     30       1.7395      2.00000
     31       1.7636      2.00000
     32       1.8416      2.00000
     33       1.9034      2.00000
     34       1.9620      2.00000
     35       2.0593      2.00000
     36       2.1624      2.00000
     37       2.2276      2.00000
     38       2.2987      2.00000
     39       2.3640      2.00000
     40       2.4422      2.00000
     41       2.5211      2.00000
     42       2.5597      2.00000
     43       2.6067      2.00000
     44       2.6610      2.00000
     45       2.7720      2.00000
     46       2.7961      2.00000
     47       2.8793      2.00000
     48       2.8917      2.00000
     49       3.0497      2.00000
     50       3.0943      2.00000
     51       3.1402      2.00000
     52       3.2145      2.00000
     53       3.3241      2.00000
     54       3.5338      2.00000
     55       3.7035      2.00000
     56       4.1036      2.00000
     57       4.4591      2.00000
     58       4.8504      2.00000
     59       5.4993      2.00137
     60       5.7063      2.04809
     61       6.0871      0.48073
     62       6.3678     -0.03463
     63       6.9741     -0.00000
     64       7.1894     -0.00000
     65       7.5869     -0.00000
     66       8.2250     -0.00000
     67       8.9884     -0.00000
     68       9.2580     -0.00000
     69      10.2426     -0.00000
     70      11.0430     -0.00000
     71      11.3254     -0.00000
     72      11.6895      0.00000
     73      12.1291      0.00000
     74      12.3748      0.00000
     75      12.7959      0.00000
     76      13.4310      0.00000
     77      13.6378      0.00000
     78      13.9079      0.00000
     79      14.2969      0.00000
     80      14.4204      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.7562      2.00000
      9      -0.6342      2.00000
     10       0.0427      2.00000
     11       0.1799      2.00000
     12       0.3298      2.00000
     13       0.3386      2.00000
     14       0.4053      2.00000
     15       0.6266      2.00000
     16       0.6453      2.00000
     17       0.7357      2.00000
     18       0.8147      2.00000
     19       0.8868      2.00000
     20       0.9103      2.00000
     21       1.0618      2.00000
     22       1.0680      2.00000
     23       1.1524      2.00000
     24       1.2200      2.00000
     25       1.2794      2.00000
     26       1.3039      2.00000
     27       1.3348      2.00000
     28       1.4637      2.00000
     29       1.6652      2.00000
     30       1.6833      2.00000
     31       1.7717      2.00000
     32       1.8317      2.00000
     33       1.9029      2.00000
     34       1.9256      2.00000
     35       2.0818      2.00000
     36       2.1566      2.00000
     37       2.2858      2.00000
     38       2.3350      2.00000
     39       2.3843      2.00000
     40       2.4884      2.00000
     41       2.5234      2.00000
     42       2.6207      2.00000
     43       2.7422      2.00000
     44       2.7989      2.00000
     45       2.8280      2.00000
     46       2.8745      2.00000
     47       2.9368      2.00000
     48       3.0270      2.00000
     49       3.0952      2.00000
     50       3.1284      2.00000
     51       3.2127      2.00000
     52       3.2691      2.00000
     53       3.4396      2.00000
     54       3.6821      2.00000
     55       3.7954      2.00000
     56       3.9509      2.00000
     57       4.1254      2.00000
     58       4.8608      2.00000
     59       5.0502      2.00000
     60       5.5661      2.00584
     61       6.7250     -0.00001
     62       7.1800     -0.00000
     63       7.7324     -0.00000
     64       8.2332     -0.00000
     65       8.7101     -0.00000
     66       8.9869     -0.00000
     67       9.3935     -0.00000
     68      10.1963     -0.00000
     69      10.7721     -0.00000
     70      10.8305     -0.00000
     71      11.4188     -0.00000
     72      12.4802      0.00000
     73      12.9043      0.00000
     74      13.0796      0.00000
     75      13.2778      0.00000
     76      13.4490      0.00000
     77      13.8177      0.00000
     78      13.8855      0.00000
     79      14.3172      0.00000
     80      14.4277      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7837      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.8640      2.00000
      9      -0.8962      2.00000
     10      -0.0301      2.00000
     11       0.1621      2.00000
     12       0.2094      2.00000
     13       0.2946      2.00000
     14       0.4290      2.00000
     15       0.5831      2.00000
     16       0.6121      2.00000
     17       0.6231      2.00000
     18       0.6888      2.00000
     19       0.7748      2.00000
     20       0.8439      2.00000
     21       0.9361      2.00000
     22       1.0399      2.00000
     23       1.0791      2.00000
     24       1.2515      2.00000
     25       1.3003      2.00000
     26       1.3972      2.00000
     27       1.4217      2.00000
     28       1.5913      2.00000
     29       1.6097      2.00000
     30       1.6486      2.00000
     31       1.7040      2.00000
     32       1.8055      2.00000
     33       1.8869      2.00000
     34       1.9448      2.00000
     35       2.1680      2.00000
     36       2.2257      2.00000
     37       2.2325      2.00000
     38       2.2952      2.00000
     39       2.4447      2.00000
     40       2.5025      2.00000
     41       2.6228      2.00000
     42       2.6625      2.00000
     43       2.6707      2.00000
     44       2.8198      2.00000
     45       2.8422      2.00000
     46       2.8862      2.00000
     47       2.9094      2.00000
     48       3.0619      2.00000
     49       3.1111      2.00000
     50       3.1515      2.00000
     51       3.3242      2.00000
     52       3.3682      2.00000
     53       3.4601      2.00000
     54       3.6364      2.00000
     55       3.9611      2.00000
     56       4.2260      2.00000
     57       4.2352      2.00000
     58       4.3502      2.00000
     59       4.8946      2.00000
     60       6.2844     -0.06885
     61       6.4932     -0.00431
     62       6.9268     -0.00000
     63       7.2088     -0.00000
     64       8.8223     -0.00000
     65       9.5581     -0.00000
     66       9.7110     -0.00000
     67       9.9043     -0.00000
     68      10.9910     -0.00000
     69      11.2026     -0.00000
     70      11.2956     -0.00000
     71      11.4627     -0.00000
     72      12.3190      0.00000
     73      12.7008      0.00000
     74      13.1425      0.00000
     75      13.4046      0.00000
     76      13.5326      0.00000
     77      13.8278      0.00000
     78      13.9952      0.00000
     79      14.2781      0.00000
     80      14.5348      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.5834      2.00000
      9      -0.8160      2.00000
     10      -0.1466      2.00000
     11       0.2266      2.00000
     12       0.2643      2.00000
     13       0.4243      2.00000
     14       0.5035      2.00000
     15       0.5758      2.00000
     16       0.6208      2.00000
     17       0.6882      2.00000
     18       0.7871      2.00000
     19       0.8881      2.00000
     20       0.9600      2.00000
     21       0.9838      2.00000
     22       1.0539      2.00000
     23       1.1562      2.00000
     24       1.2171      2.00000
     25       1.2960      2.00000
     26       1.3712      2.00000
     27       1.4020      2.00000
     28       1.5319      2.00000
     29       1.5648      2.00000
     30       1.6206      2.00000
     31       1.6722      2.00000
     32       1.8894      2.00000
     33       1.9687      2.00000
     34       2.0211      2.00000
     35       2.1609      2.00000
     36       2.1872      2.00000
     37       2.2686      2.00000
     38       2.3172      2.00000
     39       2.3654      2.00000
     40       2.3892      2.00000
     41       2.4495      2.00000
     42       2.6561      2.00000
     43       2.6721      2.00000
     44       2.7766      2.00000
     45       2.7933      2.00000
     46       2.8428      2.00000
     47       2.9853      2.00000
     48       3.0119      2.00000
     49       3.1189      2.00000
     50       3.1809      2.00000
     51       3.1904      2.00000
     52       3.3088      2.00000
     53       3.4602      2.00000
     54       3.6499      2.00000
     55       3.7039      2.00000
     56       3.8925      2.00000
     57       4.4393      2.00000
     58       4.9056      2.00000
     59       5.5454      2.00383
     60       5.8589      1.98810
     61       6.5106     -0.00298
     62       7.0432     -0.00000
     63       7.5280     -0.00000
     64       8.0738     -0.00000
     65       8.3208     -0.00000
     66       8.9254     -0.00000
     67       9.4043     -0.00000
     68       9.6725     -0.00000
     69      10.4680     -0.00000
     70      12.0104      0.00000
     71      12.3120      0.00000
     72      12.4016      0.00000
     73      12.5597      0.00000
     74      12.7280      0.00000
     75      12.8589      0.00000
     76      13.3276      0.00000
     77      13.6095      0.00000
     78      13.9245      0.00000
     79      14.0105      0.00000
     80      14.4249      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0272      2.00000
      9      -0.3847      2.00000
     10      -0.1334      2.00000
     11       0.3215      2.00000
     12       0.3990      2.00000
     13       0.4956      2.00000
     14       0.5334      2.00000
     15       0.6734      2.00000
     16       0.7805      2.00000
     17       0.8143      2.00000
     18       0.9330      2.00000
     19       0.9419      2.00000
     20       1.0270      2.00000
     21       1.0745      2.00000
     22       1.1649      2.00000
     23       1.2190      2.00000
     24       1.3076      2.00000
     25       1.3537      2.00000
     26       1.4131      2.00000
     27       1.4785      2.00000
     28       1.5485      2.00000
     29       1.6137      2.00000
     30       1.7530      2.00000
     31       1.8258      2.00000
     32       1.8877      2.00000
     33       1.9246      2.00000
     34       1.9894      2.00000
     35       2.0408      2.00000
     36       2.0834      2.00000
     37       2.1376      2.00000
     38       2.2156      2.00000
     39       2.3130      2.00000
     40       2.4659      2.00000
     41       2.5033      2.00000
     42       2.5654      2.00000
     43       2.6233      2.00000
     44       2.6841      2.00000
     45       2.7980      2.00000
     46       2.8250      2.00000
     47       2.8768      2.00000
     48       2.9253      2.00000
     49       2.9752      2.00000
     50       3.0856      2.00000
     51       3.1731      2.00000
     52       3.2502      2.00000
     53       3.2862      2.00000
     54       3.4724      2.00000
     55       3.6103      2.00000
     56       4.0096      2.00000
     57       4.4768      2.00000
     58       5.2614      2.00000
     59       5.6826      2.03730
     60       5.9047      1.82824
     61       6.2947     -0.06607
     62       6.5277     -0.00204
     63       6.7020     -0.00002
     64       7.4456     -0.00000
     65       7.6916     -0.00000
     66       8.1071     -0.00000
     67       9.1413     -0.00000
     68       9.8268     -0.00000
     69       9.9562     -0.00000
     70      10.1270     -0.00000
     71      11.1041     -0.00000
     72      11.1914     -0.00000
     73      11.7706      0.00000
     74      12.0766      0.00000
     75      12.4249      0.00000
     76      12.7756      0.00000
     77      13.2946      0.00000
     78      13.6763      0.00000
     79      14.0718      0.00000
     80      14.4189      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3899      2.00000
      9      -0.0864      2.00000
     10       0.0702      2.00000
     11       0.1461      2.00000
     12       0.4167      2.00000
     13       0.5183      2.00000
     14       0.6069      2.00000
     15       0.7152      2.00000
     16       0.8526      2.00000
     17       0.9054      2.00000
     18       0.9151      2.00000
     19       1.0965      2.00000
     20       1.1524      2.00000
     21       1.1841      2.00000
     22       1.2470      2.00000
     23       1.3162      2.00000
     24       1.4007      2.00000
     25       1.4617      2.00000
     26       1.4937      2.00000
     27       1.5975      2.00000
     28       1.6695      2.00000
     29       1.7125      2.00000
     30       1.7327      2.00000
     31       1.8373      2.00000
     32       1.8802      2.00000
     33       1.9612      2.00000
     34       1.9825      2.00000
     35       2.0737      2.00000
     36       2.1231      2.00000
     37       2.2354      2.00000
     38       2.3030      2.00000
     39       2.3499      2.00000
     40       2.3902      2.00000
     41       2.4579      2.00000
     42       2.5138      2.00000
     43       2.5283      2.00000
     44       2.6276      2.00000
     45       2.6933      2.00000
     46       2.7327      2.00000
     47       2.7958      2.00000
     48       2.8471      2.00000
     49       2.8742      2.00000
     50       3.0716      2.00000
     51       3.1431      2.00000
     52       3.2721      2.00000
     53       3.3286      2.00000
     54       3.4836      2.00000
     55       3.5907      2.00000
     56       3.7361      2.00000
     57       4.4160      2.00000
     58       4.7769      2.00000
     59       5.1288      2.00000
     60       5.6650      2.03000
     61       5.9479      1.58232
     62       6.2151     -0.04225
     63       6.5210     -0.00237
     64       6.7374     -0.00001
     65       7.7487     -0.00000
     66       8.0560     -0.00000
     67       8.5222     -0.00000
     68       9.3101     -0.00000
     69       9.7487     -0.00000
     70      10.1866     -0.00000
     71      10.8616     -0.00000
     72      10.9752     -0.00000
     73      11.3787     -0.00000
     74      11.5955      0.00000
     75      12.1348      0.00000
     76      12.4656      0.00000
     77      13.1252      0.00000
     78      13.4250      0.00000
     79      14.0234      0.00000
     80      14.2872      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4405      2.00000
      9      -0.1547      2.00000
     10      -0.0381      2.00000
     11       0.1373      2.00000
     12       0.5488      2.00000
     13       0.6667      2.00000
     14       0.7013      2.00000
     15       0.7305      2.00000
     16       0.7988      2.00000
     17       0.8849      2.00000
     18       0.9555      2.00000
     19       1.0843      2.00000
     20       1.1074      2.00000
     21       1.1384      2.00000
     22       1.2631      2.00000
     23       1.3370      2.00000
     24       1.3686      2.00000
     25       1.3920      2.00000
     26       1.5432      2.00000
     27       1.5855      2.00000
     28       1.6698      2.00000
     29       1.7165      2.00000
     30       1.7651      2.00000
     31       1.8168      2.00000
     32       1.8579      2.00000
     33       1.9626      2.00000
     34       2.0025      2.00000
     35       2.0941      2.00000
     36       2.1623      2.00000
     37       2.2419      2.00000
     38       2.3278      2.00000
     39       2.3408      2.00000
     40       2.4504      2.00000
     41       2.4701      2.00000
     42       2.4973      2.00000
     43       2.5226      2.00000
     44       2.5669      2.00000
     45       2.5826      2.00000
     46       2.7251      2.00000
     47       2.7602      2.00000
     48       2.8151      2.00000
     49       2.8838      2.00000
     50       3.1286      2.00000
     51       3.1645      2.00000
     52       3.2901      2.00000
     53       3.5124      2.00000
     54       3.5751      2.00000
     55       3.6485      2.00000
     56       4.0723      2.00000
     57       4.4122      2.00000
     58       4.5186      2.00000
     59       5.0111      2.00000
     60       5.1510      2.00000
     61       5.8183      2.05400
     62       6.1446      0.14901
     63       6.5120     -0.00289
     64       7.1587     -0.00000
     65       7.2620     -0.00000
     66       7.7703     -0.00000
     67       8.3306     -0.00000
     68       9.5541     -0.00000
     69       9.9875     -0.00000
     70      10.5846     -0.00000
     71      11.0070     -0.00000
     72      11.2615     -0.00000
     73      11.8004      0.00000
     74      12.0384      0.00000
     75      12.2646      0.00000
     76      12.8804      0.00000
     77      13.1473      0.00000
     78      13.3208      0.00000
     79      14.1417      0.00000
     80      14.3323      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6501      2.00000
      5     -39.6501      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.2075      2.00000
      9      -0.3441      2.00000
     10      -0.0765      2.00000
     11       0.1069      2.00000
     12       0.5495      2.00000
     13       0.5741      2.00000
     14       0.6382      2.00000
     15       0.7144      2.00000
     16       0.8458      2.00000
     17       0.8781      2.00000
     18       0.9460      2.00000
     19       1.0074      2.00000
     20       1.0845      2.00000
     21       1.1129      2.00000
     22       1.1746      2.00000
     23       1.2459      2.00000
     24       1.2638      2.00000
     25       1.3222      2.00000
     26       1.3872      2.00000
     27       1.3945      2.00000
     28       1.5514      2.00000
     29       1.6766      2.00000
     30       1.7014      2.00000
     31       1.8150      2.00000
     32       1.8859      2.00000
     33       1.9315      2.00000
     34       2.0071      2.00000
     35       2.0216      2.00000
     36       2.0570      2.00000
     37       2.1616      2.00000
     38       2.2065      2.00000
     39       2.3999      2.00000
     40       2.4408      2.00000
     41       2.4945      2.00000
     42       2.5420      2.00000
     43       2.6173      2.00000
     44       2.6624      2.00000
     45       2.7709      2.00000
     46       2.8569      2.00000
     47       2.8866      2.00000
     48       2.9238      2.00000
     49       3.0240      2.00000
     50       3.0570      2.00000
     51       3.1056      2.00000
     52       3.1927      2.00000
     53       3.2862      2.00000
     54       3.5301      2.00000
     55       3.6551      2.00000
     56       4.0058      2.00000
     57       4.3380      2.00000
     58       5.3273      2.00001
     59       5.4795      2.00085
     60       5.6707      2.03227
     61       5.8441      2.01920
     62       6.6377     -0.00012
     63       6.9589     -0.00000
     64       7.4566     -0.00000
     65       7.8347     -0.00000
     66       7.9008     -0.00000
     67       8.4606     -0.00000
     68       9.7096     -0.00000
     69       9.9923     -0.00000
     70      10.4232     -0.00000
     71      11.7548      0.00000
     72      12.2521      0.00000
     73      12.5610      0.00000
     74      12.8905      0.00000
     75      13.0921      0.00000
     76      13.3952      0.00000
     77      13.4610      0.00000
     78      13.5482      0.00000
     79      13.8873      0.00000
     80      14.1110      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.7435      2.00000
      9      -0.6694      2.00000
     10       0.0131      2.00000
     11       0.2331      2.00000
     12       0.3195      2.00000
     13       0.3422      2.00000
     14       0.4040      2.00000
     15       0.6279      2.00000
     16       0.6411      2.00000
     17       0.7201      2.00000
     18       0.8127      2.00000
     19       0.8782      2.00000
     20       0.9585      2.00000
     21       1.0204      2.00000
     22       1.0873      2.00000
     23       1.1541      2.00000
     24       1.2302      2.00000
     25       1.2619      2.00000
     26       1.3357      2.00000
     27       1.4016      2.00000
     28       1.4408      2.00000
     29       1.6062      2.00000
     30       1.6817      2.00000
     31       1.7249      2.00000
     32       1.8250      2.00000
     33       1.8781      2.00000
     34       1.9578      2.00000
     35       2.1323      2.00000
     36       2.1958      2.00000
     37       2.2577      2.00000
     38       2.3110      2.00000
     39       2.3998      2.00000
     40       2.5157      2.00000
     41       2.5397      2.00000
     42       2.6123      2.00000
     43       2.7238      2.00000
     44       2.7616      2.00000
     45       2.8042      2.00000
     46       2.8859      2.00000
     47       2.9670      2.00000
     48       2.9993      2.00000
     49       3.1213      2.00000
     50       3.1610      2.00000
     51       3.2125      2.00000
     52       3.2900      2.00000
     53       3.4364      2.00000
     54       3.6331      2.00000
     55       3.7827      2.00000
     56       3.9545      2.00000
     57       4.1597      2.00000
     58       4.5121      2.00000
     59       5.2804      2.00000
     60       6.0603      0.68338
     61       6.5871     -0.00048
     62       6.9967     -0.00000
     63       7.7992     -0.00000
     64       8.0754     -0.00000
     65       8.3387     -0.00000
     66       8.7240     -0.00000
     67       9.6877     -0.00000
     68      10.4601     -0.00000
     69      10.9157     -0.00000
     70      11.0354     -0.00000
     71      11.3121     -0.00000
     72      12.5106      0.00000
     73      12.8879      0.00000
     74      13.0412      0.00000
     75      13.1704      0.00000
     76      13.5077      0.00000
     77      13.5951      0.00000
     78      13.9483      0.00000
     79      14.3578      0.00000
     80      14.4850      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.8565      2.00000
      9      -0.9324      2.00000
     10       0.0397      2.00000
     11       0.1702      2.00000
     12       0.2058      2.00000
     13       0.2891      2.00000
     14       0.4222      2.00000
     15       0.5946      2.00000
     16       0.6124      2.00000
     17       0.6234      2.00000
     18       0.6910      2.00000
     19       0.7233      2.00000
     20       0.8429      2.00000
     21       0.9499      2.00000
     22       1.0883      2.00000
     23       1.1043      2.00000
     24       1.2019      2.00000
     25       1.2712      2.00000
     26       1.3537      2.00000
     27       1.3679      2.00000
     28       1.5520      2.00000
     29       1.6516      2.00000
     30       1.6935      2.00000
     31       1.7108      2.00000
     32       1.8016      2.00000
     33       1.8681      2.00000
     34       1.8982      2.00000
     35       2.1259      2.00000
     36       2.2192      2.00000
     37       2.2551      2.00000
     38       2.3878      2.00000
     39       2.4354      2.00000
     40       2.5285      2.00000
     41       2.5925      2.00000
     42       2.6229      2.00000
     43       2.6805      2.00000
     44       2.8492      2.00000
     45       2.8716      2.00000
     46       2.9868      2.00000
     47       3.0499      2.00000
     48       3.0572      2.00000
     49       3.1300      2.00000
     50       3.1911      2.00000
     51       3.2787      2.00000
     52       3.3170      2.00000
     53       3.5436      2.00000
     54       3.6507      2.00000
     55       3.9209      2.00000
     56       3.9431      2.00000
     57       4.2200      2.00000
     58       4.4101      2.00000
     59       5.0056      2.00000
     60       5.6030      2.01161
     61       6.2269     -0.05485
     62       7.7518     -0.00000
     63       8.1818     -0.00000
     64       8.6205     -0.00000
     65       8.6469     -0.00000
     66       9.7815     -0.00000
     67      10.3989     -0.00000
     68      10.6016     -0.00000
     69      10.8156     -0.00000
     70      11.2562     -0.00000
     71      11.7479      0.00000
     72      12.4756      0.00000
     73      12.7372      0.00000
     74      12.8344      0.00000
     75      13.1485      0.00000
     76      13.2544      0.00000
     77      13.6989      0.00000
     78      14.4318      0.00000
     79      14.4958      0.00000
     80      14.5604      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6501      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6550      2.00000
      9      -0.6511      2.00000
     10      -0.2062      2.00000
     11       0.2455      2.00000
     12       0.2919      2.00000
     13       0.4351      2.00000
     14       0.4394      2.00000
     15       0.5903      2.00000
     16       0.6335      2.00000
     17       0.7264      2.00000
     18       0.7823      2.00000
     19       0.8757      2.00000
     20       0.9396      2.00000
     21       0.9849      2.00000
     22       1.0818      2.00000
     23       1.1452      2.00000
     24       1.1793      2.00000
     25       1.2545      2.00000
     26       1.3651      2.00000
     27       1.3780      2.00000
     28       1.4963      2.00000
     29       1.6236      2.00000
     30       1.6469      2.00000
     31       1.7455      2.00000
     32       1.8779      2.00000
     33       1.8983      2.00000
     34       1.9996      2.00000
     35       2.0809      2.00000
     36       2.1806      2.00000
     37       2.2408      2.00000
     38       2.3220      2.00000
     39       2.4042      2.00000
     40       2.4764      2.00000
     41       2.5679      2.00000
     42       2.6349      2.00000
     43       2.7243      2.00000
     44       2.7667      2.00000
     45       2.8230      2.00000
     46       2.8550      2.00000
     47       2.9338      2.00000
     48       3.0237      2.00000
     49       3.0827      2.00000
     50       3.1436      2.00000
     51       3.2296      2.00000
     52       3.2610      2.00000
     53       3.5491      2.00000
     54       3.6746      2.00000
     55       3.7454      2.00000
     56       3.8153      2.00000
     57       4.1018      2.00000
     58       4.9411      2.00000
     59       5.0823      2.00000
     60       5.8274      2.04432
     61       6.8127     -0.00000
     62       7.1868     -0.00000
     63       7.7771     -0.00000
     64       8.6897     -0.00000
     65       8.9476     -0.00000
     66       9.1328     -0.00000
     67       9.4614     -0.00000
     68       9.6260     -0.00000
     69       9.7949     -0.00000
     70      10.9410     -0.00000
     71      11.5704      0.00000
     72      12.1392      0.00000
     73      12.3335      0.00000
     74      12.4834      0.00000
     75      13.1662      0.00000
     76      13.3067      0.00000
     77      13.6988      0.00000
     78      14.0868      0.00000
     79      14.4053      0.00000
     80      14.5409      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0744      2.00000
      9      -0.2666      2.00000
     10      -0.2095      2.00000
     11       0.2627      2.00000
     12       0.4273      2.00000
     13       0.5248      2.00000
     14       0.5600      2.00000
     15       0.6805      2.00000
     16       0.7911      2.00000
     17       0.8369      2.00000
     18       0.9142      2.00000
     19       1.0050      2.00000
     20       1.0947      2.00000
     21       1.1029      2.00000
     22       1.1493      2.00000
     23       1.2012      2.00000
     24       1.2321      2.00000
     25       1.2793      2.00000
     26       1.3603      2.00000
     27       1.4967      2.00000
     28       1.5828      2.00000
     29       1.6381      2.00000
     30       1.6651      2.00000
     31       1.8222      2.00000
     32       1.8415      2.00000
     33       1.9990      2.00000
     34       2.0068      2.00000
     35       2.0681      2.00000
     36       2.1723      2.00000
     37       2.2076      2.00000
     38       2.2481      2.00000
     39       2.3003      2.00000
     40       2.3751      2.00000
     41       2.5106      2.00000
     42       2.6308      2.00000
     43       2.6584      2.00000
     44       2.7227      2.00000
     45       2.7631      2.00000
     46       2.8060      2.00000
     47       2.8411      2.00000
     48       2.9345      2.00000
     49       2.9559      2.00000
     50       3.0979      2.00000
     51       3.1224      2.00000
     52       3.2115      2.00000
     53       3.4153      2.00000
     54       3.4980      2.00000
     55       3.5883      2.00000
     56       3.6891      2.00000
     57       4.4268      2.00000
     58       4.7996      2.00000
     59       5.4354      2.00027
     60       5.9963      1.21637
     61       6.6085     -0.00027
     62       6.9463     -0.00000
     63       7.0358     -0.00000
     64       7.3351     -0.00000
     65       8.2639     -0.00000
     66       8.5069     -0.00000
     67       8.8299     -0.00000
     68       9.3442     -0.00000
     69       9.9768     -0.00000
     70      10.1842     -0.00000
     71      10.3308     -0.00000
     72      11.0840     -0.00000
     73      11.7800      0.00000
     74      12.1387      0.00000
     75      12.3111      0.00000
     76      12.9753      0.00000
     77      13.7752      0.00000
     78      13.8262      0.00000
     79      14.0910      0.00000
     80      14.2260      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3645      2.00000
      9      -0.1417      2.00000
     10       0.0806      2.00000
     11       0.1480      2.00000
     12       0.4585      2.00000
     13       0.5659      2.00000
     14       0.6385      2.00000
     15       0.6897      2.00000
     16       0.7365      2.00000
     17       0.8940      2.00000
     18       0.9494      2.00000
     19       1.0663      2.00000
     20       1.1492      2.00000
     21       1.1806      2.00000
     22       1.2185      2.00000
     23       1.3251      2.00000
     24       1.3807      2.00000
     25       1.4733      2.00000
     26       1.5371      2.00000
     27       1.5673      2.00000
     28       1.6373      2.00000
     29       1.7155      2.00000
     30       1.7842      2.00000
     31       1.8501      2.00000
     32       1.9097      2.00000
     33       1.9437      2.00000
     34       2.0909      2.00000
     35       2.1497      2.00000
     36       2.1565      2.00000
     37       2.2526      2.00000
     38       2.2641      2.00000
     39       2.3366      2.00000
     40       2.3768      2.00000
     41       2.4200      2.00000
     42       2.5142      2.00000
     43       2.5643      2.00000
     44       2.5983      2.00000
     45       2.6180      2.00000
     46       2.6906      2.00000
     47       2.7757      2.00000
     48       2.7962      2.00000
     49       2.8799      2.00000
     50       3.0742      2.00000
     51       3.1325      2.00000
     52       3.1887      2.00000
     53       3.3687      2.00000
     54       3.5361      2.00000
     55       3.6303      2.00000
     56       3.8876      2.00000
     57       4.3718      2.00000
     58       4.7289      2.00000
     59       5.1024      2.00000
     60       5.6384      2.02062
     61       5.6937      2.04226
     62       6.1984     -0.01620
     63       6.6506     -0.00008
     64       7.0108     -0.00000
     65       7.5073     -0.00000
     66       7.8759     -0.00000
     67       8.9974     -0.00000
     68       9.6037     -0.00000
     69       9.8948     -0.00000
     70      10.0897     -0.00000
     71      10.4765     -0.00000
     72      10.7366     -0.00000
     73      11.0930     -0.00000
     74      11.6193      0.00000
     75      12.2519      0.00000
     76      12.9644      0.00000
     77      13.1809      0.00000
     78      13.9035      0.00000
     79      13.9212      0.00000
     80      14.0610      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4491      2.00000
      9      -0.1467      2.00000
     10      -0.0120      2.00000
     11       0.1321      2.00000
     12       0.5372      2.00000
     13       0.5759      2.00000
     14       0.6471      2.00000
     15       0.7576      2.00000
     16       0.8641      2.00000
     17       0.9535      2.00000
     18       1.0011      2.00000
     19       1.0532      2.00000
     20       1.1092      2.00000
     21       1.1694      2.00000
     22       1.2257      2.00000
     23       1.3168      2.00000
     24       1.3947      2.00000
     25       1.4741      2.00000
     26       1.5054      2.00000
     27       1.5501      2.00000
     28       1.6013      2.00000
     29       1.7169      2.00000
     30       1.7574      2.00000
     31       1.7967      2.00000
     32       1.8990      2.00000
     33       1.9600      2.00000
     34       1.9722      2.00000
     35       2.0564      2.00000
     36       2.1821      2.00000
     37       2.1938      2.00000
     38       2.2904      2.00000
     39       2.3311      2.00000
     40       2.3586      2.00000
     41       2.4782      2.00000
     42       2.4985      2.00000
     43       2.5880      2.00000
     44       2.6182      2.00000
     45       2.6805      2.00000
     46       2.7722      2.00000
     47       2.8041      2.00000
     48       2.8166      2.00000
     49       2.9030      2.00000
     50       3.1256      2.00000
     51       3.1793      2.00000
     52       3.2341      2.00000
     53       3.5191      2.00000
     54       3.5750      2.00000
     55       3.6879      2.00000
     56       3.8819      2.00000
     57       4.4475      2.00000
     58       4.5849      2.00000
     59       4.9806      2.00000
     60       5.4271      2.00021
     61       5.7585      2.06856
     62       5.8254      2.04666
     63       6.7175     -0.00001
     64       6.9940     -0.00000
     65       7.2950     -0.00000
     66       7.5169     -0.00000
     67       9.0302     -0.00000
     68       9.4067     -0.00000
     69      10.1148     -0.00000
     70      10.5241     -0.00000
     71      10.8652     -0.00000
     72      11.2159     -0.00000
     73      11.4089     -0.00000
     74      11.6874      0.00000
     75      12.0229      0.00000
     76      12.6569      0.00000
     77      13.4657      0.00000
     78      13.5691      0.00000
     79      14.0996      0.00000
     80      14.1533      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5963      2.00000
      8      -1.1368      2.00000
      9      -0.5358      2.00000
     10       0.1063      2.00000
     11       0.1286      2.00000
     12       0.5085      2.00000
     13       0.5865      2.00000
     14       0.6531      2.00000
     15       0.6896      2.00000
     16       0.8002      2.00000
     17       0.8222      2.00000
     18       0.8468      2.00000
     19       0.9382      2.00000
     20       1.0971      2.00000
     21       1.1377      2.00000
     22       1.1786      2.00000
     23       1.2063      2.00000
     24       1.3215      2.00000
     25       1.3658      2.00000
     26       1.4049      2.00000
     27       1.4462      2.00000
     28       1.5138      2.00000
     29       1.5717      2.00000
     30       1.6937      2.00000
     31       1.7380      2.00000
     32       1.8777      2.00000
     33       1.9196      2.00000
     34       1.9743      2.00000
     35       2.1208      2.00000
     36       2.1664      2.00000
     37       2.2438      2.00000
     38       2.2884      2.00000
     39       2.3532      2.00000
     40       2.4274      2.00000
     41       2.5179      2.00000
     42       2.5733      2.00000
     43       2.6633      2.00000
     44       2.6963      2.00000
     45       2.7677      2.00000
     46       2.8106      2.00000
     47       2.8545      2.00000
     48       2.9128      2.00000
     49       2.9645      2.00000
     50       3.0821      2.00000
     51       3.1244      2.00000
     52       3.2101      2.00000
     53       3.3511      2.00000
     54       3.5142      2.00000
     55       3.7050      2.00000
     56       4.1260      2.00000
     57       4.6079      2.00000
     58       4.9843      2.00000
     59       5.3642      2.00003
     60       5.6904      2.04077
     61       6.0321      0.91520
     62       6.2224     -0.05059
     63       6.7050     -0.00002
     64       7.1802     -0.00000
     65       7.6251     -0.00000
     66       8.7463     -0.00000
     67       8.9096     -0.00000
     68       9.3609     -0.00000
     69      10.4080     -0.00000
     70      10.6138     -0.00000
     71      11.0210     -0.00000
     72      11.6287      0.00000
     73      12.2244      0.00000
     74      12.5044      0.00000
     75      12.8237      0.00000
     76      13.3606      0.00000
     77      13.5948      0.00000
     78      14.0817      0.00000
     79      14.2413      0.00000
     80      14.4840      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6073      2.00000
      7     -39.5941      2.00000
      8      -1.6583      2.00000
      9      -0.8888      2.00000
     10       0.1423      2.00000
     11       0.2613      2.00000
     12       0.3109      2.00000
     13       0.3229      2.00000
     14       0.3994      2.00000
     15       0.6237      2.00000
     16       0.6450      2.00000
     17       0.6666      2.00000
     18       0.7534      2.00000
     19       0.8560      2.00000
     20       0.9372      2.00000
     21       1.0585      2.00000
     22       1.1254      2.00000
     23       1.1814      2.00000
     24       1.2198      2.00000
     25       1.2766      2.00000
     26       1.3800      2.00000
     27       1.3940      2.00000
     28       1.4762      2.00000
     29       1.5938      2.00000
     30       1.6924      2.00000
     31       1.7421      2.00000
     32       1.8468      2.00000
     33       1.8547      2.00000
     34       2.0337      2.00000
     35       2.1594      2.00000
     36       2.1936      2.00000
     37       2.2338      2.00000
     38       2.2654      2.00000
     39       2.3719      2.00000
     40       2.4457      2.00000
     41       2.5171      2.00000
     42       2.6259      2.00000
     43       2.6571      2.00000
     44       2.7821      2.00000
     45       2.8311      2.00000
     46       2.8792      2.00000
     47       2.9559      2.00000
     48       2.9888      2.00000
     49       3.1173      2.00000
     50       3.1897      2.00000
     51       3.2105      2.00000
     52       3.2971      2.00000
     53       3.4808      2.00000
     54       3.7195      2.00000
     55       3.9425      2.00000
     56       3.9666      2.00000
     57       4.1999      2.00000
     58       4.6031      2.00000
     59       5.0589      2.00000
     60       5.6541      2.02589
     61       6.7462     -0.00000
     62       7.3442     -0.00000
     63       7.6679     -0.00000
     64       8.2685     -0.00000
     65       8.4772     -0.00000
     66       8.5697     -0.00000
     67       9.0115     -0.00000
     68       9.2310     -0.00000
     69      11.3402     -0.00000
     70      12.1321      0.00000
     71      12.4236      0.00000
     72      12.6623      0.00000
     73      12.8406      0.00000
     74      13.1017      0.00000
     75      13.2902      0.00000
     76      13.5506      0.00000
     77      13.7151      0.00000
     78      13.7853      0.00000
     79      13.8926      0.00000
     80      14.0693      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6500      2.00000
      6     -39.6081      2.00000
      7     -39.5933      2.00000
      8      -1.6608      2.00000
      9      -0.7754      2.00000
     10      -0.6006      2.00000
     11       0.0767      2.00000
     12       0.2630      2.00000
     13       0.3781      2.00000
     14       0.3916      2.00000
     15       0.5510      2.00000
     16       0.6312      2.00000
     17       0.7416      2.00000
     18       0.7424      2.00000
     19       0.8366      2.00000
     20       0.8906      2.00000
     21       0.9244      2.00000
     22       1.0492      2.00000
     23       1.1049      2.00000
     24       1.1351      2.00000
     25       1.2361      2.00000
     26       1.3267      2.00000
     27       1.3568      2.00000
     28       1.4891      2.00000
     29       1.6065      2.00000
     30       1.6180      2.00000
     31       1.7834      2.00000
     32       1.9055      2.00000
     33       1.9076      2.00000
     34       2.0938      2.00000
     35       2.1488      2.00000
     36       2.2271      2.00000
     37       2.3517      2.00000
     38       2.4412      2.00000
     39       2.4665      2.00000
     40       2.4732      2.00000
     41       2.5428      2.00000
     42       2.6206      2.00000
     43       2.6822      2.00000
     44       2.6890      2.00000
     45       2.8180      2.00000
     46       2.8744      2.00000
     47       2.9574      2.00000
     48       2.9807      2.00000
     49       3.1541      2.00000
     50       3.2339      2.00000
     51       3.3208      2.00000
     52       3.3415      2.00000
     53       3.4442      2.00000
     54       3.5355      2.00000
     55       3.7194      2.00000
     56       3.7536      2.00000
     57       3.9924      2.00000
     58       4.2043      2.00000
     59       5.8172      2.05500
     60       7.2664     -0.00000
     61       7.4262     -0.00000
     62       7.4651     -0.00000
     63       7.7589     -0.00000
     64       8.2395     -0.00000
     65       8.7284     -0.00000
     66       9.2675     -0.00000
     67       9.8861     -0.00000
     68      10.4852     -0.00000
     69      10.6616     -0.00000
     70      11.2233     -0.00000
     71      11.2674     -0.00000
     72      11.4349     -0.00000
     73      12.4133      0.00000
     74      12.9905      0.00000
     75      13.1512      0.00000
     76      13.1925      0.00000
     77      13.4198      0.00000
     78      13.8934      0.00000
     79      13.9090      0.00000
     80      14.5994      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3929      2.00000
      9      -0.7684      2.00000
     10      -0.4081      2.00000
     11       0.1167      2.00000
     12       0.1922      2.00000
     13       0.4729      2.00000
     14       0.5390      2.00000
     15       0.6267      2.00000
     16       0.6442      2.00000
     17       0.7465      2.00000
     18       0.7609      2.00000
     19       0.9201      2.00000
     20       0.9587      2.00000
     21       0.9928      2.00000
     22       0.9988      2.00000
     23       1.1042      2.00000
     24       1.1689      2.00000
     25       1.1919      2.00000
     26       1.3343      2.00000
     27       1.3563      2.00000
     28       1.5608      2.00000
     29       1.6178      2.00000
     30       1.7315      2.00000
     31       1.7697      2.00000
     32       1.8300      2.00000
     33       1.9654      2.00000
     34       2.0214      2.00000
     35       2.0514      2.00000
     36       2.1512      2.00000
     37       2.2815      2.00000
     38       2.2819      2.00000
     39       2.3635      2.00000
     40       2.5182      2.00000
     41       2.5572      2.00000
     42       2.6474      2.00000
     43       2.7104      2.00000
     44       2.7447      2.00000
     45       2.8013      2.00000
     46       2.8964      2.00000
     47       2.9248      2.00000
     48       3.0150      2.00000
     49       3.1091      2.00000
     50       3.1600      2.00000
     51       3.2238      2.00000
     52       3.3518      2.00000
     53       3.3746      2.00000
     54       3.5685      2.00000
     55       3.7869      2.00000
     56       3.8451      2.00000
     57       3.9905      2.00000
     58       4.2337      2.00000
     59       6.2169     -0.04443
     60       6.5085     -0.00312
     61       7.3911     -0.00000
     62       7.7820     -0.00000
     63       7.8913     -0.00000
     64       8.3547     -0.00000
     65       8.5606     -0.00000
     66       8.8129     -0.00000
     67       8.8401     -0.00000
     68       9.6470     -0.00000
     69      10.2141     -0.00000
     70      10.6350     -0.00000
     71      10.7756     -0.00000
     72      11.1170     -0.00000
     73      11.9509      0.00000
     74      12.3035      0.00000
     75      12.6593      0.00000
     76      13.1728      0.00000
     77      13.6214      0.00000
     78      13.9403      0.00000
     79      14.2789      0.00000
     80      14.6697      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9118      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.9056      2.00000
      9      -0.3801      2.00000
     10      -0.0386      2.00000
     11       0.0627      2.00000
     12       0.4453      2.00000
     13       0.4978      2.00000
     14       0.5996      2.00000
     15       0.6964      2.00000
     16       0.7565      2.00000
     17       0.7606      2.00000
     18       0.8280      2.00000
     19       0.8899      2.00000
     20       1.0037      2.00000
     21       1.0395      2.00000
     22       1.1606      2.00000
     23       1.2390      2.00000
     24       1.2923      2.00000
     25       1.3798      2.00000
     26       1.4200      2.00000
     27       1.4954      2.00000
     28       1.6141      2.00000
     29       1.6594      2.00000
     30       1.7191      2.00000
     31       1.7902      2.00000
     32       1.8407      2.00000
     33       1.9271      2.00000
     34       1.9826      2.00000
     35       2.0329      2.00000
     36       2.0750      2.00000
     37       2.2204      2.00000
     38       2.2565      2.00000
     39       2.2913      2.00000
     40       2.4075      2.00000
     41       2.5563      2.00000
     42       2.6261      2.00000
     43       2.6380      2.00000
     44       2.7119      2.00000
     45       2.7423      2.00000
     46       2.8359      2.00000
     47       2.8713      2.00000
     48       2.9080      2.00000
     49       2.9379      2.00000
     50       3.0373      2.00000
     51       3.1375      2.00000
     52       3.3082      2.00000
     53       3.3439      2.00000
     54       3.4904      2.00000
     55       3.5740      2.00000
     56       3.7546      2.00000
     57       4.4185      2.00000
     58       5.2237      2.00000
     59       5.2928      2.00000
     60       5.9577      1.51493
     61       7.0590     -0.00000
     62       7.1897     -0.00000
     63       7.3423     -0.00000
     64       7.4466     -0.00000
     65       8.1670     -0.00000
     66       8.4094     -0.00000
     67       8.6239     -0.00000
     68       9.0600     -0.00000
     69       9.3326     -0.00000
     70       9.8320     -0.00000
     71      10.7694     -0.00000
     72      10.9776     -0.00000
     73      11.2777     -0.00000
     74      11.6062      0.00000
     75      12.5192      0.00000
     76      13.0974      0.00000
     77      13.4178      0.00000
     78      13.6737      0.00000
     79      13.9125      0.00000
     80      14.1275      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6500      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3885      2.00000
      9      -0.0741      2.00000
     10       0.1036      2.00000
     11       0.1594      2.00000
     12       0.4588      2.00000
     13       0.4950      2.00000
     14       0.5538      2.00000
     15       0.6756      2.00000
     16       0.7854      2.00000
     17       0.9124      2.00000
     18       0.9444      2.00000
     19       1.1148      2.00000
     20       1.1692      2.00000
     21       1.2179      2.00000
     22       1.2398      2.00000
     23       1.3319      2.00000
     24       1.4140      2.00000
     25       1.4431      2.00000
     26       1.4886      2.00000
     27       1.5639      2.00000
     28       1.6232      2.00000
     29       1.6637      2.00000
     30       1.7207      2.00000
     31       1.8310      2.00000
     32       1.9152      2.00000
     33       1.9644      2.00000
     34       2.0362      2.00000
     35       2.1093      2.00000
     36       2.1223      2.00000
     37       2.2035      2.00000
     38       2.3013      2.00000
     39       2.3150      2.00000
     40       2.3581      2.00000
     41       2.4706      2.00000
     42       2.5324      2.00000
     43       2.5566      2.00000
     44       2.6296      2.00000
     45       2.7006      2.00000
     46       2.7413      2.00000
     47       2.8176      2.00000
     48       2.8396      2.00000
     49       2.9533      2.00000
     50       3.0757      2.00000
     51       3.1850      2.00000
     52       3.2877      2.00000
     53       3.3446      2.00000
     54       3.4720      2.00000
     55       3.5918      2.00000
     56       3.7910      2.00000
     57       4.0920      2.00000
     58       4.3003      2.00000
     59       5.4731      2.00072
     60       5.8621      1.98023
     61       6.0256      0.97018
     62       6.3399     -0.04717
     63       6.7290     -0.00001
     64       7.1293     -0.00000
     65       7.6092     -0.00000
     66       8.0727     -0.00000
     67       8.3377     -0.00000
     68       8.9254     -0.00000
     69       9.4400     -0.00000
     70      10.2392     -0.00000
     71      10.4220     -0.00000
     72      10.5688     -0.00000
     73      11.3193     -0.00000
     74      11.8311      0.00000
     75      12.1686      0.00000
     76      12.9438      0.00000
     77      13.0188      0.00000
     78      13.6874      0.00000
     79      14.0022      0.00000
     80      14.6445      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6500      2.00000
      5     -39.6500      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4446      2.00000
      9      -0.1474      2.00000
     10       0.0498      2.00000
     11       0.1350      2.00000
     12       0.4990      2.00000
     13       0.5339      2.00000
     14       0.6340      2.00000
     15       0.7166      2.00000
     16       0.8990      2.00000
     17       0.9235      2.00000
     18       1.0371      2.00000
     19       1.0783      2.00000
     20       1.1386      2.00000
     21       1.1834      2.00000
     22       1.2563      2.00000
     23       1.2986      2.00000
     24       1.3939      2.00000
     25       1.4157      2.00000
     26       1.4609      2.00000
     27       1.5088      2.00000
     28       1.6615      2.00000
     29       1.6995      2.00000
     30       1.7447      2.00000
     31       1.7979      2.00000
     32       1.8758      2.00000
     33       1.9160      2.00000
     34       2.0089      2.00000
     35       2.0809      2.00000
     36       2.1881      2.00000
     37       2.2140      2.00000
     38       2.2858      2.00000
     39       2.3530      2.00000
     40       2.3728      2.00000
     41       2.4530      2.00000
     42       2.5076      2.00000
     43       2.5554      2.00000
     44       2.6575      2.00000
     45       2.6928      2.00000
     46       2.7447      2.00000
     47       2.8154      2.00000
     48       2.8858      2.00000
     49       2.9089      2.00000
     50       3.1135      2.00000
     51       3.1679      2.00000
     52       3.2547      2.00000
     53       3.4796      2.00000
     54       3.5671      2.00000
     55       3.6054      2.00000
     56       3.9003      2.00000
     57       4.3452      2.00000
     58       4.8636      2.00000
     59       5.0054      2.00000
     60       5.2105      2.00000
     61       5.6175      2.01484
     62       5.8137      2.05792
     63       6.7229     -0.00001
     64       7.1841     -0.00000
     65       7.6975     -0.00000
     66       7.8825     -0.00000
     67       8.7094     -0.00000
     68       9.5008     -0.00000
     69       9.9587     -0.00000
     70      10.1307     -0.00000
     71      10.4752     -0.00000
     72      10.5938     -0.00000
     73      11.1491     -0.00000
     74      11.8198      0.00000
     75      12.2388      0.00000
     76      12.7501      0.00000
     77      13.5936      0.00000
     78      14.0703      0.00000
     79      14.3252      0.00000
     80      14.4722      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0785      2.00000
      9      -0.3672      2.00000
     10      -0.1140      2.00000
     11       0.2734      2.00000
     12       0.4393      2.00000
     13       0.5124      2.00000
     14       0.5452      2.00000
     15       0.6830      2.00000
     16       0.7869      2.00000
     17       0.8433      2.00000
     18       0.9207      2.00000
     19       0.9519      2.00000
     20       1.0528      2.00000
     21       1.0856      2.00000
     22       1.1737      2.00000
     23       1.2218      2.00000
     24       1.2711      2.00000
     25       1.3249      2.00000
     26       1.4161      2.00000
     27       1.4566      2.00000
     28       1.5530      2.00000
     29       1.6118      2.00000
     30       1.7733      2.00000
     31       1.8222      2.00000
     32       1.8477      2.00000
     33       1.9682      2.00000
     34       1.9984      2.00000
     35       2.0551      2.00000
     36       2.1081      2.00000
     37       2.1361      2.00000
     38       2.2097      2.00000
     39       2.3326      2.00000
     40       2.4314      2.00000
     41       2.4727      2.00000
     42       2.6078      2.00000
     43       2.6531      2.00000
     44       2.6856      2.00000
     45       2.7906      2.00000
     46       2.8210      2.00000
     47       2.8749      2.00000
     48       2.9272      2.00000
     49       2.9796      2.00000
     50       3.0857      2.00000
     51       3.1324      2.00000
     52       3.2411      2.00000
     53       3.3233      2.00000
     54       3.4537      2.00000
     55       3.6287      2.00000
     56       4.0786      2.00000
     57       4.2802      2.00000
     58       5.1867      2.00000
     59       5.7528      2.06706
     60       5.9296      1.69759
     61       6.1183      0.28080
     62       6.5437     -0.00141
     63       6.7824     -0.00000
     64       7.2744     -0.00000
     65       7.6616     -0.00000
     66       8.3398     -0.00000
     67       9.3857     -0.00000
     68       9.5349     -0.00000
     69       9.9907     -0.00000
     70      10.1801     -0.00000
     71      11.3461     -0.00000
     72      11.5033      0.00000
     73      11.7749      0.00000
     74      11.9588      0.00000
     75      12.2887      0.00000
     76      12.7741      0.00000
     77      13.3621      0.00000
     78      13.6902      0.00000
     79      13.8370      0.00000
     80      14.2128      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6504      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.5553      2.00000
      9      -0.5518      2.00000
     10      -0.4633      2.00000
     11       0.2101      2.00000
     12       0.2354      2.00000
     13       0.4736      2.00000
     14       0.5257      2.00000
     15       0.5956      2.00000
     16       0.6342      2.00000
     17       0.6735      2.00000
     18       0.7982      2.00000
     19       0.9039      2.00000
     20       0.9489      2.00000
     21       0.9901      2.00000
     22       1.0160      2.00000
     23       1.1220      2.00000
     24       1.1631      2.00000
     25       1.2219      2.00000
     26       1.3892      2.00000
     27       1.4351      2.00000
     28       1.4886      2.00000
     29       1.5986      2.00000
     30       1.6428      2.00000
     31       1.7293      2.00000
     32       1.8725      2.00000
     33       1.8896      2.00000
     34       2.0177      2.00000
     35       2.1089      2.00000
     36       2.2072      2.00000
     37       2.2699      2.00000
     38       2.3471      2.00000
     39       2.3731      2.00000
     40       2.4421      2.00000
     41       2.5888      2.00000
     42       2.6796      2.00000
     43       2.7072      2.00000
     44       2.7392      2.00000
     45       2.8438      2.00000
     46       2.8684      2.00000
     47       2.8960      2.00000
     48       3.0588      2.00000
     49       3.0941      2.00000
     50       3.1705      2.00000
     51       3.2308      2.00000
     52       3.2368      2.00000
     53       3.5348      2.00000
     54       3.6193      2.00000
     55       3.6555      2.00000
     56       3.8526      2.00000
     57       3.9802      2.00000
     58       4.4863      2.00000
     59       5.6789      2.03572
     60       6.3685     -0.03435
     61       6.7105     -0.00001
     62       7.5107     -0.00000
     63       7.9732     -0.00000
     64       8.6876     -0.00000
     65       8.8847     -0.00000
     66       9.2155     -0.00000
     67       9.3787     -0.00000
     68       9.4753     -0.00000
     69       9.7967     -0.00000
     70      10.5247     -0.00000
     71      11.1895     -0.00000
     72      11.5486      0.00000
     73      12.0665      0.00000
     74      12.2502      0.00000
     75      13.0228      0.00000
     76      13.2542      0.00000
     77      13.2989      0.00000
     78      13.8614      0.00000
     79      14.5969      0.00000
     80      14.6844      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6499      2.00000
      6     -39.6081      2.00000
      7     -39.5933      2.00000
      8      -1.6117      2.00000
      9      -0.8249      2.00000
     10      -0.5688      2.00000
     11       0.0747      2.00000
     12       0.1500      2.00000
     13       0.3626      2.00000
     14       0.3918      2.00000
     15       0.5507      2.00000
     16       0.6425      2.00000
     17       0.7663      2.00000
     18       0.7905      2.00000
     19       0.8731      2.00000
     20       0.8773      2.00000
     21       0.9214      2.00000
     22       1.0181      2.00000
     23       1.0322      2.00000
     24       1.0777      2.00000
     25       1.2558      2.00000
     26       1.3112      2.00000
     27       1.3801      2.00000
     28       1.4810      2.00000
     29       1.6273      2.00000
     30       1.6750      2.00000
     31       1.7622      2.00000
     32       1.8390      2.00000
     33       1.9590      2.00000
     34       2.0164      2.00000
     35       2.1734      2.00000
     36       2.2054      2.00000
     37       2.3323      2.00000
     38       2.4297      2.00000
     39       2.4668      2.00000
     40       2.4727      2.00000
     41       2.5163      2.00000
     42       2.6322      2.00000
     43       2.6400      2.00000
     44       2.6607      2.00000
     45       2.8319      2.00000
     46       2.8425      2.00000
     47       2.9530      2.00000
     48       2.9551      2.00000
     49       2.9853      2.00000
     50       3.1961      2.00000
     51       3.2568      2.00000
     52       3.4602      2.00000
     53       3.5543      2.00000
     54       3.6581      2.00000
     55       3.9693      2.00000
     56       4.0695      2.00000
     57       4.2167      2.00000
     58       4.6012      2.00000
     59       5.8702      1.95782
     60       6.1259      0.23912
     61       6.6499     -0.00008
     62       7.3675     -0.00000
     63       8.0076     -0.00000
     64       8.2553     -0.00000
     65       8.6589     -0.00000
     66       9.1164     -0.00000
     67       9.1720     -0.00000
     68      10.9140     -0.00000
     69      11.4461     -0.00000
     70      11.6381      0.00000
     71      11.9488      0.00000
     72      12.3470      0.00000
     73      12.6330      0.00000
     74      13.1719      0.00000
     75      13.2145      0.00000
     76      13.3672      0.00000
     77      13.4052      0.00000
     78      13.8360      0.00000
     79      13.8609      0.00000
     80      14.0951      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6499      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3561      2.00000
      9      -0.6613      2.00000
     10      -0.5395      2.00000
     11       0.0552      2.00000
     12       0.1884      2.00000
     13       0.4686      2.00000
     14       0.5581      2.00000
     15       0.6243      2.00000
     16       0.6375      2.00000
     17       0.7505      2.00000
     18       0.7928      2.00000
     19       0.9140      2.00000
     20       0.9261      2.00000
     21       0.9537      2.00000
     22       0.9848      2.00000
     23       1.1007      2.00000
     24       1.1272      2.00000
     25       1.1810      2.00000
     26       1.3731      2.00000
     27       1.4336      2.00000
     28       1.6010      2.00000
     29       1.6169      2.00000
     30       1.6817      2.00000
     31       1.7248      2.00000
     32       1.7761      2.00000
     33       1.9370      2.00000
     34       2.0224      2.00000
     35       2.0802      2.00000
     36       2.1933      2.00000
     37       2.2151      2.00000
     38       2.2838      2.00000
     39       2.4596      2.00000
     40       2.4831      2.00000
     41       2.5402      2.00000
     42       2.6433      2.00000
     43       2.6867      2.00000
     44       2.7313      2.00000
     45       2.7524      2.00000
     46       2.8487      2.00000
     47       2.8912      2.00000
     48       2.9900      2.00000
     49       3.0698      2.00000
     50       3.1443      2.00000
     51       3.1666      2.00000
     52       3.3206      2.00000
     53       3.4433      2.00000
     54       3.5254      2.00000
     55       3.7686      2.00000
     56       3.8997      2.00000
     57       5.0251      2.00000
     58       5.1338      2.00000
     59       5.6140      2.01400
     60       6.0416      0.83600
     61       6.8628     -0.00000
     62       7.3596     -0.00000
     63       7.5118     -0.00000
     64       7.7041     -0.00000
     65       8.1206     -0.00000
     66       8.2655     -0.00000
     67       9.9549     -0.00000
     68      10.3802     -0.00000
     69      10.5503     -0.00000
     70      11.0069     -0.00000
     71      11.1707     -0.00000
     72      11.6672      0.00000
     73      12.3362      0.00000
     74      12.4673      0.00000
     75      12.9850      0.00000
     76      13.1765      0.00000
     77      13.6619      0.00000
     78      13.8009      0.00000
     79      14.0942      0.00000
     80      14.3722      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.8976      2.00000
      9      -0.3628      2.00000
     10      -0.0483      2.00000
     11       0.0294      2.00000
     12       0.4722      2.00000
     13       0.4987      2.00000
     14       0.5837      2.00000
     15       0.7000      2.00000
     16       0.7371      2.00000
     17       0.7747      2.00000
     18       0.8312      2.00000
     19       0.8816      2.00000
     20       1.0008      2.00000
     21       1.0286      2.00000
     22       1.1392      2.00000
     23       1.2448      2.00000
     24       1.3405      2.00000
     25       1.3900      2.00000
     26       1.4639      2.00000
     27       1.5178      2.00000
     28       1.5584      2.00000
     29       1.5962      2.00000
     30       1.7540      2.00000
     31       1.8040      2.00000
     32       1.8744      2.00000
     33       1.9141      2.00000
     34       1.9693      2.00000
     35       2.0225      2.00000
     36       2.1308      2.00000
     37       2.1907      2.00000
     38       2.2322      2.00000
     39       2.2592      2.00000
     40       2.3294      2.00000
     41       2.5596      2.00000
     42       2.6134      2.00000
     43       2.6591      2.00000
     44       2.7268      2.00000
     45       2.7376      2.00000
     46       2.8514      2.00000
     47       2.8788      2.00000
     48       2.9171      2.00000
     49       2.9686      2.00000
     50       3.0505      2.00000
     51       3.1396      2.00000
     52       3.2787      2.00000
     53       3.3551      2.00000
     54       3.4178      2.00000
     55       3.5059      2.00000
     56       3.7190      2.00000
     57       4.7026      2.00000
     58       5.3894      2.00007
     59       5.6372      2.02026
     60       5.8404      2.02570
     61       6.7004     -0.00002
     62       6.9441     -0.00000
     63       7.1090     -0.00000
     64       7.2458     -0.00000
     65       8.4983     -0.00000
     66       8.5884     -0.00000
     67       8.7075     -0.00000
     68       8.9071     -0.00000
     69       9.2541     -0.00000
     70       9.6766     -0.00000
     71      10.8991     -0.00000
     72      11.0874     -0.00000
     73      11.2722     -0.00000
     74      11.8020      0.00000
     75      12.7573      0.00000
     76      13.0107      0.00000
     77      13.5259      0.00000
     78      13.7603      0.00000
     79      13.9975      0.00000
     80      14.3942      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3654      2.00000
      9      -0.1202      2.00000
     10       0.1014      2.00000
     11       0.1753      2.00000
     12       0.4660      2.00000
     13       0.5321      2.00000
     14       0.5922      2.00000
     15       0.6408      2.00000
     16       0.7480      2.00000
     17       0.9049      2.00000
     18       0.9522      2.00000
     19       1.0674      2.00000
     20       1.1544      2.00000
     21       1.1935      2.00000
     22       1.2458      2.00000
     23       1.3199      2.00000
     24       1.3969      2.00000
     25       1.4875      2.00000
     26       1.5141      2.00000
     27       1.5420      2.00000
     28       1.6262      2.00000
     29       1.7216      2.00000
     30       1.7419      2.00000
     31       1.8399      2.00000
     32       1.9093      2.00000
     33       1.9736      2.00000
     34       2.0448      2.00000
     35       2.1139      2.00000
     36       2.1774      2.00000
     37       2.2593      2.00000
     38       2.3096      2.00000
     39       2.3222      2.00000
     40       2.3834      2.00000
     41       2.4336      2.00000
     42       2.5216      2.00000
     43       2.5660      2.00000
     44       2.5856      2.00000
     45       2.6400      2.00000
     46       2.7068      2.00000
     47       2.7629      2.00000
     48       2.8102      2.00000
     49       2.9596      2.00000
     50       3.0496      2.00000
     51       3.1439      2.00000
     52       3.1852      2.00000
     53       3.3360      2.00000
     54       3.5380      2.00000
     55       3.6032      2.00000
     56       3.9603      2.00000
     57       4.1959      2.00000
     58       4.4188      2.00000
     59       5.2807      2.00000
     60       5.8365      2.03183
     61       5.9597      1.50091
     62       6.2605     -0.07057
     63       6.4707     -0.00675
     64       6.9990     -0.00000
     65       7.8683     -0.00000
     66       8.0387     -0.00000
     67       8.8302     -0.00000
     68       9.1504     -0.00000
     69       9.7304     -0.00000
     70       9.8591     -0.00000
     71      10.3759     -0.00000
     72      10.5832     -0.00000
     73      10.9651     -0.00000
     74      11.8556      0.00000
     75      12.4596      0.00000
     76      12.6241      0.00000
     77      13.3285      0.00000
     78      13.7228      0.00000
     79      14.3612      0.00000
     80      14.4524      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4370      2.00000
      9      -0.1364      2.00000
     10      -0.0161      2.00000
     11       0.1329      2.00000
     12       0.5480      2.00000
     13       0.5930      2.00000
     14       0.6487      2.00000
     15       0.7819      2.00000
     16       0.8062      2.00000
     17       0.9266      2.00000
     18       0.9691      2.00000
     19       1.0516      2.00000
     20       1.1126      2.00000
     21       1.1534      2.00000
     22       1.2426      2.00000
     23       1.3407      2.00000
     24       1.3891      2.00000
     25       1.4109      2.00000
     26       1.4915      2.00000
     27       1.5927      2.00000
     28       1.6717      2.00000
     29       1.7227      2.00000
     30       1.7718      2.00000
     31       1.8251      2.00000
     32       1.8903      2.00000
     33       1.9016      2.00000
     34       2.0067      2.00000
     35       2.1279      2.00000
     36       2.1831      2.00000
     37       2.2222      2.00000
     38       2.2474      2.00000
     39       2.3094      2.00000
     40       2.3981      2.00000
     41       2.4577      2.00000
     42       2.4950      2.00000
     43       2.5565      2.00000
     44       2.6240      2.00000
     45       2.6478      2.00000
     46       2.7318      2.00000
     47       2.7757      2.00000
     48       2.8273      2.00000
     49       2.8802      2.00000
     50       3.1382      2.00000
     51       3.1469      2.00000
     52       3.3484      2.00000
     53       3.4751      2.00000
     54       3.5796      2.00000
     55       3.6118      2.00000
     56       3.7794      2.00000
     57       4.3661      2.00000
     58       4.5656      2.00000
     59       5.1291      2.00000
     60       5.6236      2.01638
     61       5.7621      2.06935
     62       6.4099     -0.01937
     63       6.5008     -0.00368
     64       6.8374     -0.00000
     65       7.0005     -0.00000
     66       7.3810     -0.00000
     67       9.1090     -0.00000
     68       9.3503     -0.00000
     69      10.2497     -0.00000
     70      10.5591     -0.00000
     71      10.9199     -0.00000
     72      11.4200     -0.00000
     73      11.5715      0.00000
     74      11.8392      0.00000
     75      12.1832      0.00000
     76      12.6633      0.00000
     77      12.9364      0.00000
     78      13.1031      0.00000
     79      13.9050      0.00000
     80      14.2405      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9162      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.1065      2.00000
      9      -0.3060      2.00000
     10      -0.1686      2.00000
     11       0.2361      2.00000
     12       0.4832      2.00000
     13       0.5490      2.00000
     14       0.5777      2.00000
     15       0.6576      2.00000
     16       0.7744      2.00000
     17       0.8595      2.00000
     18       0.9323      2.00000
     19       1.0206      2.00000
     20       1.0936      2.00000
     21       1.1247      2.00000
     22       1.1704      2.00000
     23       1.1945      2.00000
     24       1.2247      2.00000
     25       1.2569      2.00000
     26       1.3589      2.00000
     27       1.4869      2.00000
     28       1.5530      2.00000
     29       1.6407      2.00000
     30       1.6881      2.00000
     31       1.7948      2.00000
     32       1.8420      2.00000
     33       1.9715      2.00000
     34       2.0403      2.00000
     35       2.1039      2.00000
     36       2.1656      2.00000
     37       2.2232      2.00000
     38       2.2445      2.00000
     39       2.3062      2.00000
     40       2.3405      2.00000
     41       2.5296      2.00000
     42       2.6226      2.00000
     43       2.6479      2.00000
     44       2.7234      2.00000
     45       2.7381      2.00000
     46       2.7823      2.00000
     47       2.8221      2.00000
     48       2.9436      2.00000
     49       3.0010      2.00000
     50       3.0686      2.00000
     51       3.1420      2.00000
     52       3.2083      2.00000
     53       3.4293      2.00000
     54       3.4684      2.00000
     55       3.5706      2.00000
     56       3.7222      2.00000
     57       4.5350      2.00000
     58       4.7917      2.00000
     59       5.4123      2.00014
     60       5.9608      1.49275
     61       6.4833     -0.00527
     62       6.8159     -0.00000
     63       7.0952     -0.00000
     64       7.3927     -0.00000
     65       8.0538     -0.00000
     66       8.6714     -0.00000
     67       8.7652     -0.00000
     68       9.3441     -0.00000
     69       9.8383     -0.00000
     70       9.9246     -0.00000
     71      10.6667     -0.00000
     72      11.1782     -0.00000
     73      11.8838      0.00000
     74      12.1958      0.00000
     75      12.6586      0.00000
     76      13.2264      0.00000
     77      13.9632      0.00000
     78      14.0440      0.00000
     79      14.3736      0.00000
     80      14.4156      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.5472      2.00000
      9      -0.6227      2.00000
     10      -0.3804      2.00000
     11       0.1902      2.00000
     12       0.2331      2.00000
     13       0.4374      2.00000
     14       0.5260      2.00000
     15       0.5876      2.00000
     16       0.6329      2.00000
     17       0.6930      2.00000
     18       0.8092      2.00000
     19       0.9175      2.00000
     20       0.9462      2.00000
     21       0.9854      2.00000
     22       1.0488      2.00000
     23       1.1344      2.00000
     24       1.1625      2.00000
     25       1.2524      2.00000
     26       1.2736      2.00000
     27       1.3871      2.00000
     28       1.5940      2.00000
     29       1.6452      2.00000
     30       1.7105      2.00000
     31       1.7612      2.00000
     32       1.8231      2.00000
     33       1.8703      2.00000
     34       1.9937      2.00000
     35       2.0363      2.00000
     36       2.1233      2.00000
     37       2.3114      2.00000
     38       2.3477      2.00000
     39       2.4477      2.00000
     40       2.5175      2.00000
     41       2.5288      2.00000
     42       2.6086      2.00000
     43       2.6771      2.00000
     44       2.7023      2.00000
     45       2.7970      2.00000
     46       2.8473      2.00000
     47       2.9059      2.00000
     48       3.0531      2.00000
     49       3.0967      2.00000
     50       3.2143      2.00000
     51       3.2338      2.00000
     52       3.3021      2.00000
     53       3.4055      2.00000
     54       3.5926      2.00000
     55       3.7997      2.00000
     56       3.8191      2.00000
     57       3.9800      2.00000
     58       4.7546      2.00000
     59       5.6605      2.02827
     60       6.5625     -0.00090
     61       6.8495     -0.00000
     62       7.4503     -0.00000
     63       7.8333     -0.00000
     64       7.8904     -0.00000
     65       8.4246     -0.00000
     66       9.0558     -0.00000
     67       9.2279     -0.00000
     68       9.9924     -0.00000
     69      10.4783     -0.00000
     70      10.7281     -0.00000
     71      11.1431     -0.00000
     72      11.4831      0.00000
     73      12.1390      0.00000
     74      12.6646      0.00000
     75      13.0058      0.00000
     76      13.3608      0.00000
     77      13.4997      0.00000
     78      13.9093      0.00000
     79      14.3229      0.00000
     80      14.5421      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9176      2.00000
      2     -39.9105      2.00000
      3     -39.7836      2.00000
      4     -39.6506      2.00000
      5     -39.6499      2.00000
      6     -39.6080      2.00000
      7     -39.5933      2.00000
      8      -1.6060      2.00000
      9      -0.7794      2.00000
     10      -0.6545      2.00000
     11       0.0684      2.00000
     12       0.1927      2.00000
     13       0.3589      2.00000
     14       0.3894      2.00000
     15       0.5677      2.00000
     16       0.6160      2.00000
     17       0.7297      2.00000
     18       0.7874      2.00000
     19       0.8493      2.00000
     20       0.9109      2.00000
     21       0.9277      2.00000
     22       1.0680      2.00000
     23       1.1165      2.00000
     24       1.1542      2.00000
     25       1.2472      2.00000
     26       1.2620      2.00000
     27       1.2727      2.00000
     28       1.4721      2.00000
     29       1.6063      2.00000
     30       1.6232      2.00000
     31       1.7505      2.00000
     32       1.7923      2.00000
     33       1.9154      2.00000
     34       2.1286      2.00000
     35       2.1610      2.00000
     36       2.3486      2.00000
     37       2.3579      2.00000
     38       2.3956      2.00000
     39       2.4421      2.00000
     40       2.4723      2.00000
     41       2.5397      2.00000
     42       2.6363      2.00000
     43       2.6683      2.00000
     44       2.7321      2.00000
     45       2.8030      2.00000
     46       2.8499      2.00000
     47       2.9003      2.00000
     48       2.9462      2.00000
     49       3.0432      2.00000
     50       3.1813      2.00000
     51       3.2296      2.00000
     52       3.3990      2.00000
     53       3.5946      2.00000
     54       3.6463      2.00000
     55       3.9608      2.00000
     56       4.0611      2.00000
     57       4.2360      2.00000
     58       4.4649      2.00000
     59       5.6838      2.03784
     60       6.2418     -0.06511
     61       6.6958     -0.00002
     62       7.5174     -0.00000
     63       7.8911     -0.00000
     64       8.1393     -0.00000
     65       8.8116     -0.00000
     66       9.3824     -0.00000
     67       9.5963     -0.00000
     68      10.7444     -0.00000
     69      10.9001     -0.00000
     70      11.4783     -0.00000
     71      11.9839      0.00000
     72      12.0846      0.00000
     73      12.5180      0.00000
     74      12.8972      0.00000
     75      13.0139      0.00000
     76      13.2963      0.00000
     77      13.4475      0.00000
     78      13.9062      0.00000
     79      14.0613      0.00000
     80      14.3425      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5940      2.00000
      8      -1.3882      2.00000
      9      -0.7278      2.00000
     10      -0.4689      2.00000
     11       0.1207      2.00000
     12       0.1886      2.00000
     13       0.4810      2.00000
     14       0.5508      2.00000
     15       0.6315      2.00000
     16       0.6380      2.00000
     17       0.7505      2.00000
     18       0.7709      2.00000
     19       0.9318      2.00000
     20       0.9373      2.00000
     21       0.9552      2.00000
     22       0.9847      2.00000
     23       1.1221      2.00000
     24       1.1652      2.00000
     25       1.1853      2.00000
     26       1.3723      2.00000
     27       1.3834      2.00000
     28       1.5185      2.00000
     29       1.6197      2.00000
     30       1.6343      2.00000
     31       1.7971      2.00000
     32       1.8457      2.00000
     33       1.9652      2.00000
     34       1.9915      2.00000
     35       2.1678      2.00000
     36       2.2059      2.00000
     37       2.2244      2.00000
     38       2.2603      2.00000
     39       2.3097      2.00000
     40       2.5391      2.00000
     41       2.5794      2.00000
     42       2.6270      2.00000
     43       2.6993      2.00000
     44       2.7465      2.00000
     45       2.8180      2.00000
     46       2.9010      2.00000
     47       2.9613      2.00000
     48       3.0070      2.00000
     49       3.1162      2.00000
     50       3.1605      2.00000
     51       3.2011      2.00000
     52       3.3145      2.00000
     53       3.4049      2.00000
     54       3.5627      2.00000
     55       3.7489      2.00000
     56       3.9037      2.00000
     57       4.0370      2.00000
     58       4.2920      2.00000
     59       6.2445     -0.06635
     60       6.6657     -0.00005
     61       7.1201     -0.00000
     62       7.3152     -0.00000
     63       8.0069     -0.00000
     64       8.2300     -0.00000
     65       8.3895     -0.00000
     66       8.7946     -0.00000
     67       9.5661     -0.00000
     68       9.8274     -0.00000
     69      10.1412     -0.00000
     70      10.3487     -0.00000
     71      10.8707     -0.00000
     72      11.3422     -0.00000
     73      12.0543      0.00000
     74      12.2126      0.00000
     75      12.6357      0.00000
     76      13.1444      0.00000
     77      13.5595      0.00000
     78      13.7554      0.00000
     79      14.3223      0.00000
     80      14.6276      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6055      2.00000
      7     -39.5962      2.00000
      8      -0.9120      2.00000
      9      -0.4496      2.00000
     10       0.0467      2.00000
     11       0.0972      2.00000
     12       0.3988      2.00000
     13       0.4994      2.00000
     14       0.6487      2.00000
     15       0.6741      2.00000
     16       0.7407      2.00000
     17       0.7808      2.00000
     18       0.8212      2.00000
     19       0.9075      2.00000
     20       1.0222      2.00000
     21       1.0477      2.00000
     22       1.1267      2.00000
     23       1.2339      2.00000
     24       1.2761      2.00000
     25       1.2981      2.00000
     26       1.3824      2.00000
     27       1.4664      2.00000
     28       1.6758      2.00000
     29       1.7009      2.00000
     30       1.7890      2.00000
     31       1.8265      2.00000
     32       1.8553      2.00000
     33       1.9130      2.00000
     34       1.9745      2.00000
     35       2.0014      2.00000
     36       2.0319      2.00000
     37       2.2396      2.00000
     38       2.2995      2.00000
     39       2.3531      2.00000
     40       2.4855      2.00000
     41       2.5224      2.00000
     42       2.5732      2.00000
     43       2.6921      2.00000
     44       2.7104      2.00000
     45       2.7455      2.00000
     46       2.7658      2.00000
     47       2.8589      2.00000
     48       2.8840      2.00000
     49       2.9172      2.00000
     50       3.0775      2.00000
     51       3.1696      2.00000
     52       3.3349      2.00000
     53       3.3497      2.00000
     54       3.5890      2.00000
     55       3.7548      2.00000
     56       3.8264      2.00000
     57       4.0274      2.00000
     58       4.6324      2.00000
     59       4.8247      2.00000
     60       6.5781     -0.00061
     61       7.0592     -0.00000
     62       7.5117     -0.00000
     63       7.6285     -0.00000
     64       7.8484     -0.00000
     65       8.0346     -0.00000
     66       8.6911     -0.00000
     67       8.9133     -0.00000
     68       9.1893     -0.00000
     69       9.5847     -0.00000
     70       9.6068     -0.00000
     71       9.8070     -0.00000
     72      10.0912     -0.00000
     73      11.4927      0.00000
     74      11.8041      0.00000
     75      11.8834      0.00000
     76      12.9992      0.00000
     77      13.3861      0.00000
     78      13.9844      0.00000
     79      14.2283      0.00000
     80      14.5849      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6026      2.00000
      7     -39.5992      2.00000
      8      -0.3616      2.00000
      9      -0.1195      2.00000
     10       0.1055      2.00000
     11       0.1549      2.00000
     12       0.4203      2.00000
     13       0.5375      2.00000
     14       0.6123      2.00000
     15       0.6952      2.00000
     16       0.7724      2.00000
     17       0.8963      2.00000
     18       0.9387      2.00000
     19       1.0691      2.00000
     20       1.1212      2.00000
     21       1.1850      2.00000
     22       1.2142      2.00000
     23       1.3454      2.00000
     24       1.3948      2.00000
     25       1.4487      2.00000
     26       1.5092      2.00000
     27       1.6593      2.00000
     28       1.7021      2.00000
     29       1.7222      2.00000
     30       1.7410      2.00000
     31       1.8373      2.00000
     32       1.8755      2.00000
     33       1.9370      2.00000
     34       2.0114      2.00000
     35       2.1250      2.00000
     36       2.1651      2.00000
     37       2.2554      2.00000
     38       2.2806      2.00000
     39       2.3505      2.00000
     40       2.3985      2.00000
     41       2.4393      2.00000
     42       2.5299      2.00000
     43       2.5729      2.00000
     44       2.5980      2.00000
     45       2.6450      2.00000
     46       2.6819      2.00000
     47       2.7321      2.00000
     48       2.7956      2.00000
     49       2.8791      2.00000
     50       3.0791      2.00000
     51       3.1293      2.00000
     52       3.1817      2.00000
     53       3.2275      2.00000
     54       3.4922      2.00000
     55       3.6019      2.00000
     56       3.9625      2.00000
     57       4.6287      2.00000
     58       4.7035      2.00000
     59       5.1225      2.00000
     60       5.6508      2.02470
     61       5.7803      2.07084
     62       6.0902      0.45934
     63       6.3867     -0.02713
     64       6.9350     -0.00000
     65       7.6621     -0.00000
     66       8.4587     -0.00000
     67       9.0062     -0.00000
     68       9.3616     -0.00000
     69       9.4791     -0.00000
     70       9.8212     -0.00000
     71      10.6705     -0.00000
     72      11.0269     -0.00000
     73      11.3802     -0.00000
     74      11.7104      0.00000
     75      12.0836      0.00000
     76      12.4213      0.00000
     77      12.7619      0.00000
     78      13.6250      0.00000
     79      13.9680      0.00000
     80      14.1670      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9147      2.00000
      2     -39.9131      2.00000
      3     -39.7829      2.00000
      4     -39.6501      2.00000
      5     -39.6499      2.00000
      6     -39.6025      2.00000
      7     -39.5993      2.00000
      8      -0.4257      2.00000
      9      -0.1846      2.00000
     10       0.0397      2.00000
     11       0.1400      2.00000
     12       0.5294      2.00000
     13       0.5899      2.00000
     14       0.6804      2.00000
     15       0.7411      2.00000
     16       0.7984      2.00000
     17       0.8784      2.00000
     18       0.9550      2.00000
     19       1.0938      2.00000
     20       1.1110      2.00000
     21       1.2011      2.00000
     22       1.2756      2.00000
     23       1.2972      2.00000
     24       1.3664      2.00000
     25       1.4147      2.00000
     26       1.4675      2.00000
     27       1.5533      2.00000
     28       1.6706      2.00000
     29       1.7448      2.00000
     30       1.7762      2.00000
     31       1.8333      2.00000
     32       1.8503      2.00000
     33       1.9623      2.00000
     34       2.0628      2.00000
     35       2.0958      2.00000
     36       2.1341      2.00000
     37       2.2444      2.00000
     38       2.2808      2.00000
     39       2.2901      2.00000
     40       2.4406      2.00000
     41       2.4780      2.00000
     42       2.4807      2.00000
     43       2.5572      2.00000
     44       2.6277      2.00000
     45       2.6528      2.00000
     46       2.7068      2.00000
     47       2.7948      2.00000
     48       2.8059      2.00000
     49       2.8837      2.00000
     50       3.0941      2.00000
     51       3.1704      2.00000
     52       3.2535      2.00000
     53       3.4861      2.00000
     54       3.5661      2.00000
     55       3.6565      2.00000
     56       4.0654      2.00000
     57       4.5149      2.00000
     58       4.5667      2.00000
     59       4.8316      2.00000
     60       5.1717      2.00000
     61       5.6605      2.02825
     62       6.1412      0.16404
     63       6.4042     -0.02113
     64       7.5697     -0.00000
     65       7.7388     -0.00000
     66       8.0323     -0.00000
     67       8.4220     -0.00000
     68       8.9611     -0.00000
     69       9.6374     -0.00000
     70      10.2636     -0.00000
     71      10.4055     -0.00000
     72      11.2747     -0.00000
     73      11.6961      0.00000
     74      12.2910      0.00000
     75      12.4726      0.00000
     76      12.6313      0.00000
     77      13.3689      0.00000
     78      13.6178      0.00000
     79      14.1793      0.00000
     80      14.3164      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9161      2.00000
      2     -39.9117      2.00000
      3     -39.7832      2.00000
      4     -39.6502      2.00000
      5     -39.6500      2.00000
      6     -39.6054      2.00000
      7     -39.5962      2.00000
      8      -1.0464      2.00000
      9      -0.4614      2.00000
     10      -0.0781      2.00000
     11       0.3290      2.00000
     12       0.4441      2.00000
     13       0.5155      2.00000
     14       0.5687      2.00000
     15       0.6458      2.00000
     16       0.7494      2.00000
     17       0.8210      2.00000
     18       0.9224      2.00000
     19       0.9932      2.00000
     20       1.0239      2.00000
     21       1.0984      2.00000
     22       1.1871      2.00000
     23       1.2127      2.00000
     24       1.3167      2.00000
     25       1.3413      2.00000
     26       1.3625      2.00000
     27       1.4412      2.00000
     28       1.5074      2.00000
     29       1.6057      2.00000
     30       1.7696      2.00000
     31       1.8436      2.00000
     32       1.8644      2.00000
     33       1.9320      2.00000
     34       1.9892      2.00000
     35       2.0437      2.00000
     36       2.1236      2.00000
     37       2.1956      2.00000
     38       2.2619      2.00000
     39       2.3322      2.00000
     40       2.4526      2.00000
     41       2.4960      2.00000
     42       2.5117      2.00000
     43       2.6525      2.00000
     44       2.6849      2.00000
     45       2.7656      2.00000
     46       2.8046      2.00000
     47       2.8536      2.00000
     48       2.9306      2.00000
     49       3.0261      2.00000
     50       3.0860      2.00000
     51       3.1523      2.00000
     52       3.2241      2.00000
     53       3.3275      2.00000
     54       3.4901      2.00000
     55       3.6545      2.00000
     56       3.8540      2.00000
     57       4.7610      2.00000
     58       5.2154      2.00000
     59       5.3442      2.00002
     60       5.6029      2.01158
     61       6.3464     -0.04417
     62       6.5451     -0.00137
     63       7.2900     -0.00000
     64       7.3915     -0.00000
     65       7.6699     -0.00000
     66       8.0625     -0.00000
     67       8.8597     -0.00000
     68       9.6570     -0.00000
     69       9.9864     -0.00000
     70      10.5031     -0.00000
     71      10.6864     -0.00000
     72      11.0140     -0.00000
     73      11.3106     -0.00000
     74      12.4697      0.00000
     75      13.0277      0.00000
     76      13.3028      0.00000
     77      13.5990      0.00000
     78      14.1324      0.00000
     79      14.2304      0.00000
     80      14.8664      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9172      2.00000
      2     -39.9108      2.00000
      3     -39.7835      2.00000
      4     -39.6505      2.00000
      5     -39.6500      2.00000
      6     -39.6074      2.00000
      7     -39.5941      2.00000
      8      -1.4856      2.00000
      9      -0.7323      2.00000
     10      -0.3566      2.00000
     11       0.1624      2.00000
     12       0.2201      2.00000
     13       0.4646      2.00000
     14       0.5332      2.00000
     15       0.6100      2.00000
     16       0.6337      2.00000
     17       0.6652      2.00000
     18       0.8248      2.00000
     19       0.8810      2.00000
     20       0.9389      2.00000
     21       0.9797      2.00000
     22       0.9973      2.00000
     23       1.1462      2.00000
     24       1.1835      2.00000
     25       1.2493      2.00000
     26       1.3249      2.00000
     27       1.4381      2.00000
     28       1.5491      2.00000
     29       1.5982      2.00000
     30       1.6182      2.00000
     31       1.6928      2.00000
     32       1.8975      2.00000
     33       1.9666      2.00000
     34       2.0204      2.00000
     35       2.0945      2.00000
     36       2.1971      2.00000
     37       2.2598      2.00000
     38       2.3358      2.00000
     39       2.3562      2.00000
     40       2.4570      2.00000
     41       2.4751      2.00000
     42       2.6350      2.00000
     43       2.6770      2.00000
     44       2.7562      2.00000
     45       2.7810      2.00000
     46       2.8319      2.00000
     47       2.9678      2.00000
     48       2.9899      2.00000
     49       3.1199      2.00000
     50       3.1561      2.00000
     51       3.2012      2.00000
     52       3.3083      2.00000
     53       3.3833      2.00000
     54       3.6165      2.00000
     55       3.7844      2.00000
     56       3.8343      2.00000
     57       4.6216      2.00000
     58       5.1347      2.00000
     59       5.6826      2.03732
     60       6.1401      0.16920
     61       6.4470     -0.01048
     62       6.9232     -0.00000
     63       7.2645     -0.00000
     64       7.9449     -0.00000
     65       8.9012     -0.00000
     66       8.9895     -0.00000
     67       9.2286     -0.00000
     68       9.9857     -0.00000
     69      10.0589     -0.00000
     70      11.7092      0.00000
     71      11.9170      0.00000
     72      12.1250      0.00000
     73      12.2427      0.00000
     74      12.4628      0.00000
     75      12.9002      0.00000
     76      13.3004      0.00000
     77      13.5715      0.00000
     78      13.8178      0.00000
     79      13.9623      0.00000
     80      14.4654      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.373  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.152  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.373  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.000   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.022   0.010   0.030   0.011   0.006  -1.169  -0.014  -0.025  -0.042  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.074  -0.271   0.019  -0.182  -0.014  -1.060   0.225  -0.010   0.144  -0.069   0.013  -0.001   0.171   0.008   0.000
  0.030  -0.271   2.654   0.008  -0.314  -0.025   0.225  -0.698  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.943   0.016  -0.042  -0.010  -0.018  -1.107  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.182  -0.314   0.016   3.079  -0.013   0.145   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.169  -0.014  -0.025  -0.042  -0.013   1.223   0.017   0.020   0.068   0.019  -0.016   0.005   0.012  -0.007  -0.289  -0.000
 -0.014  -1.060   0.225  -0.010   0.145   0.017   0.979  -0.181   0.003  -0.108   0.063  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.698  -0.018   0.231   0.020  -0.181   0.678   0.025  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.042  -0.010  -0.018  -1.107  -0.007   0.068   0.003   0.025   1.167   0.001   0.020  -0.006  -0.009  -0.003   0.011   0.000
 -0.013   0.144   0.231  -0.007  -1.017   0.019  -0.108  -0.160   0.001   0.908   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.069   0.084  -0.020  -0.141  -0.016   0.063  -0.092   0.020   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.013  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.001  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.007  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.289  -0.007   0.002   0.011  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.71: real time    1.72
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.62: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.34097   469.34097   469.34097
  Ewald   -2471.79470 -3173.40377 -2711.62707   -21.81943   -23.05892    12.36214
  Hartree   847.99502   346.01003   676.81737   -14.63678    -2.26251     7.74784
  E(xc)    -540.91967  -541.59530  -541.07429    -0.02592    -0.13429     0.01552
  Local    -594.09660   607.15169  -183.35482    36.00024    24.13553   -19.62889
  n-local  -102.83532   -99.62870  -101.56114     0.30224     0.72761    -0.26357
  augment   723.80458   723.28950   723.34927     0.02458     0.12110    -0.05239
  Kinetic  1668.56104  1668.85180  1668.15483     0.16535     0.49380    -0.16856
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.05532     0.01621     0.04513     0.01029     0.02233     0.01210
  in kB       0.34433     0.10088     0.28093     0.06405     0.13897     0.07530
  external pressure =        0.24 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.40
      direct lattice vectors                 reciprocal lattice vectors
     4.098437551 -0.101816414  0.141625135     0.243704749  0.100395090  0.080587204
    -3.909675238  8.754523958  0.916959534     0.002770972  0.115189384  0.002623217
    -2.321582522 -0.107073761  7.154117981    -0.005179616 -0.016751537  0.137848082

  length of vectors
     4.102147562  9.631617984  7.522141602     0.275618352  0.115252565  0.138958757


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.367E+01 -.158E+03 0.253E+02   0.384E+01 0.161E+03 -.256E+02   -.166E+00 -.282E+01 0.300E+00   -.349E-04 0.145E-03 0.282E-03
   0.368E+01 0.158E+03 -.253E+02   -.384E+01 -.161E+03 0.256E+02   0.166E+00 0.282E+01 -.300E+00   0.390E-04 -.143E-03 -.283E-03
   0.318E+01 0.145E+03 0.754E+01   -.327E+01 -.147E+03 -.736E+01   0.925E-01 0.128E+01 -.178E+00   -.886E-04 -.219E-03 -.338E-03
   -.934E-01 -.687E+02 -.417E+02   0.998E-01 0.683E+02 0.425E+02   -.706E-02 0.335E+00 -.853E+00   -.182E-05 0.215E-05 0.212E-03
   0.628E+01 0.974E+02 -.972E+02   -.634E+01 -.986E+02 0.986E+02   0.630E-01 0.126E+01 -.139E+01   -.422E-04 -.269E-04 -.239E-03
   -.112E-01 0.300E-02 -.121E-01   0.112E-01 -.316E-02 0.122E-01   0.206E-03 0.725E-04 -.377E-04   -.367E-05 0.342E-05 0.313E-05
   -.625E+01 -.974E+02 0.972E+02   0.631E+01 0.987E+02 -.986E+02   -.638E-01 -.126E+01 0.139E+01   0.439E-04 0.240E-04 0.243E-03
   -.317E+01 -.145E+03 -.755E+01   0.326E+01 0.147E+03 0.737E+01   -.929E-01 -.128E+01 0.178E+00   0.947E-04 0.224E-03 0.334E-03
   0.602E-01 0.687E+02 0.417E+02   -.672E-01 -.683E+02 -.425E+02   0.823E-02 -.335E+00 0.853E+00   0.844E-05 -.236E-04 -.219E-03
   0.730E-02 0.399E-03 -.373E-03   -.711E-02 -.478E-03 0.247E-03   -.201E-03 0.188E-03 0.390E-04   0.142E-05 -.444E-05 0.596E-06
   0.943E+00 0.959E+01 -.281E+02   -.948E+00 -.941E+01 0.280E+02   0.482E-02 -.189E+00 0.993E-01   0.414E-05 0.163E-04 -.364E-04
   -.953E+00 -.959E+01 0.281E+02   0.958E+00 0.940E+01 -.280E+02   -.470E-02 0.189E+00 -.993E-01   -.441E-05 -.146E-04 0.362E-04
   0.757E+00 -.921E+01 -.205E+02   -.713E+00 0.925E+01 0.202E+02   -.438E-01 -.391E-01 0.271E+00   -.225E-05 -.179E-05 -.218E-04
   -.170E+01 -.621E+02 0.438E+01   0.169E+01 0.620E+02 -.464E+01   0.503E-02 0.684E-01 0.249E+00   -.107E-04 -.215E-04 -.274E-04
   -.752E+00 0.922E+01 0.205E+02   0.708E+00 -.926E+01 -.202E+02   0.436E-01 0.394E-01 -.270E+00   0.277E-05 0.196E-05 0.215E-04
   0.169E+01 0.621E+02 -.438E+01   -.169E+01 -.620E+02 0.463E+01   -.490E-02 -.682E-01 -.249E+00   0.104E-04 0.211E-04 0.277E-04
 -----------------------------------------------------------------------------------------------
   -.165E-03 0.603E-04 -.381E-04   -.218E-13 -.149E-12 -.586E-13   0.180E-03 0.879E-03 0.579E-04   0.162E-04 -.170E-04 -.331E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07063      6.35875      7.88648        -0.000416     -0.001030      0.000299
     -2.91085      8.15211      4.53374         0.000462      0.000843     -0.000411
     -1.04417      1.16109      4.62313        -0.000182     -0.000816      0.000783
     -2.90152      5.24033      2.40446        -0.000669      0.002152     -0.011358
      1.19206      1.83200      0.31000        -0.000111      0.001652      0.005582
     -3.08514      2.92905      5.68082         0.000217     -0.000144      0.000111
     -0.94225      4.03134      4.03915        -0.000483     -0.001521     -0.006003
     -1.02763      4.59530      6.88000         0.000023      0.000431     -0.000475
      3.15114      0.62299      1.94459         0.001239     -0.002195      0.011472
     -5.03984      7.30635      6.13928        -0.000009      0.000047     -0.000087
     -0.84861      3.63586      1.26093        -0.000453     -0.001477     -0.001750
      1.09819      2.22757      3.08816         0.000423      0.001703      0.001755
     -0.85052      6.70156      3.45518         0.000189      0.003486     -0.003605
     -2.99604      5.53029      5.14311        -0.000804      0.000579     -0.004951
     -2.80941      7.91635      1.81088        -0.000360     -0.003145      0.003707
      0.92422      0.22597      6.36009         0.000933     -0.000563      0.004931
 -----------------------------------------------------------------------------------
    total drift:                                0.000031      0.000923      0.000017


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87769057 eV

  energy  without entropy=      -49.88257842  energy(sigma->0) =      -49.87931985
 
 d Force = 0.5986950E-05[ 0.577E-05, 0.621E-05]  d Energy = 0.6578248E-06 0.533E-05
 d Force =-0.6038807E-01[-0.604E-01,-0.604E-01]  d Ewald  = 0.2487421E+00-0.309E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  119.04: real time  119.40


----------------------------------------- Iteration   14(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.61: real time   15.67
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.38: real time   17.45

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.2710534E-04  (-0.4180445E-02)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0558913 magnetization 

 Broyden mixing:
  rms(total) = 0.32177E-02    rms(broyden)= 0.32175E-02
  rms(prec ) = 0.42467E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1870.91739604
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46003397
  PAW double counting   =      9487.76375424    -9415.73989313
  entropy T*S    EENTRO =         0.00488972
  eigenvalues    EBANDS =      -338.58411842
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87771770 eV

  energy without entropy =      -49.88260742  energy(sigma->0) =      -49.87934761


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.11: real time   18.16
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.85: real time   19.91

 eigenvalue-minimisations  :  8208
 total energy-change (2. order) :-0.2608284E-04  (-0.5115282E-04)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0520655 magnetization 

 Broyden mixing:
  rms(total) = 0.16766E-02    rms(broyden)= 0.16765E-02
  rms(prec ) = 0.21440E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7950
  0.7950

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.10808079
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46803278
  PAW double counting   =      9487.71943896    -9415.69075646
  entropy T*S    EENTRO =         0.00490289
  eigenvalues    EBANDS =      -338.40629313
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87774378 eV

  energy without entropy =      -49.88264667  energy(sigma->0) =      -49.87937808


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   20.44: real time   20.51
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.20: real time   22.27

 eigenvalue-minimisations  :  9632
 total energy-change (2. order) : 0.3561105E-05  (-0.2261636E-05)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0518483 magnetization 

 Broyden mixing:
  rms(total) = 0.97349E-03    rms(broyden)= 0.97343E-03
  rms(prec ) = 0.12043E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4333
  0.9503  1.9163

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.10510030
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46836758
  PAW double counting   =      9487.74822556    -9415.71981512
  entropy T*S    EENTRO =         0.00490264
  eigenvalues    EBANDS =      -338.40933256
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87774022 eV

  energy without entropy =      -49.88264287  energy(sigma->0) =      -49.87937444


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.66: real time   17.71
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.43: real time   19.48

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.2592573E-05  (-0.6065608E-06)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0515793 magnetization 

 Broyden mixing:
  rms(total) = 0.32547E-03    rms(broyden)= 0.32546E-03
  rms(prec ) = 0.36504E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2924
  1.9535  1.1530  0.7708

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11947694
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46963090
  PAW double counting   =      9487.55748334    -9415.52982968
  entropy T*S    EENTRO =         0.00490465
  eigenvalues    EBANDS =      -338.39546188
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87773763 eV

  energy without entropy =      -49.88264228  energy(sigma->0) =      -49.87937251


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.25: real time   18.31
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.99: real time   20.05

 eigenvalue-minimisations  :  8288
 total energy-change (2. order) : 0.2179077E-06  (-0.4378212E-07)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0517280 magnetization 

 Broyden mixing:
  rms(total) = 0.13168E-03    rms(broyden)= 0.13167E-03
  rms(prec ) = 0.14455E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3824
  2.2060  0.8369  1.1810  1.3056

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11442760
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46953471
  PAW double counting   =      9487.54596287    -9415.51883547
  entropy T*S    EENTRO =         0.00490466
  eigenvalues    EBANDS =      -338.39988855
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87773741 eV

  energy without entropy =      -49.88264207  energy(sigma->0) =      -49.87937230


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.26: real time   13.30
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.29: real time   13.33

 eigenvalue-minimisations  :  5168
 total energy-change (2. order) : 0.7678864E-07  (-0.5079433E-08)
 number of electron     120.0000047 magnetization 
 augmentation part       42.0517280 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.29202982
  Ewald energy   TEWEN  =     -8356.36659316
  -1/2 Hartree   DENC   =     -1871.11542236
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46964512
  PAW double counting   =      9487.53241938    -9415.50564573
  entropy T*S    EENTRO =         0.00490499
  eigenvalues    EBANDS =      -338.39865070
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87773734 eV

  energy without entropy =      -49.88264233  energy(sigma->0) =      -49.87937233


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4559       2 -67.4559       3 -67.5445       4 -67.5058       5 -67.5348
       6 -67.5964       7 -67.5348       8 -67.5445       9 -67.5058      10 -58.8783
      11 -59.0041      12 -59.0041      13 -58.6977      14 -58.7453      15 -58.6977
      16 -58.7453
 
 
 
 E-fermi :   6.0212     XC(G=0): -10.7504     alpha+bet :-12.3691


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6519      2.00000
      5     -39.6516      2.00000
      6     -39.6100      2.00000
      7     -39.5953      2.00000
      8      -1.9450      2.00000
      9      -0.6501      2.00000
     10      -0.1265      2.00000
     11       0.1685      2.00000
     12       0.2617      2.00000
     13       0.2926      2.00000
     14       0.4351      2.00000
     15       0.5346      2.00000
     16       0.6069      2.00000
     17       0.6327      2.00000
     18       0.6702      2.00000
     19       0.7438      2.00000
     20       0.8949      2.00000
     21       0.9416      2.00000
     22       1.0527      2.00000
     23       1.0987      2.00000
     24       1.1877      2.00000
     25       1.2205      2.00000
     26       1.2851      2.00000
     27       1.3144      2.00000
     28       1.5825      2.00000
     29       1.6529      2.00000
     30       1.7129      2.00000
     31       1.7411      2.00000
     32       1.7924      2.00000
     33       1.9225      2.00000
     34       1.9409      2.00000
     35       2.1511      2.00000
     36       2.1755      2.00000
     37       2.2767      2.00000
     38       2.3130      2.00000
     39       2.4486      2.00000
     40       2.5336      2.00000
     41       2.5879      2.00000
     42       2.6403      2.00000
     43       2.7259      2.00000
     44       2.8695      2.00000
     45       2.8760      2.00000
     46       2.9082      2.00000
     47       3.0015      2.00000
     48       3.0454      2.00000
     49       3.1041      2.00000
     50       3.1341      2.00000
     51       3.3313      2.00000
     52       3.3853      2.00000
     53       3.5032      2.00000
     54       3.5865      2.00000
     55       3.8961      2.00000
     56       4.0740      2.00000
     57       4.2324      2.00000
     58       4.2353      2.00000
     59       4.9520      2.00000
     60       5.6236      2.01662
     61       6.2825     -0.06907
     62       8.1992     -0.00000
     63       8.2970     -0.00000
     64       8.3266     -0.00000
     65       8.9387     -0.00000
     66       9.6744     -0.00000
     67      10.3880     -0.00000
     68      10.7443     -0.00000
     69      11.4837      0.00000
     70      11.7751      0.00000
     71      11.8286      0.00000
     72      12.0673      0.00000
     73      12.2755      0.00000
     74      12.3524      0.00000
     75      12.5188      0.00000
     76      12.7959      0.00000
     77      13.2996      0.00000
     78      13.6704      0.00000
     79      13.7960      0.00000
     80      14.6463      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.6725      2.00000
      9      -0.5731      2.00000
     10      -0.2720      2.00000
     11       0.2608      2.00000
     12       0.2803      2.00000
     13       0.3884      2.00000
     14       0.4654      2.00000
     15       0.5991      2.00000
     16       0.6134      2.00000
     17       0.7317      2.00000
     18       0.8246      2.00000
     19       0.9113      2.00000
     20       0.9367      2.00000
     21       0.9742      2.00000
     22       1.1011      2.00000
     23       1.1181      2.00000
     24       1.1979      2.00000
     25       1.2493      2.00000
     26       1.3516      2.00000
     27       1.3822      2.00000
     28       1.4967      2.00000
     29       1.6281      2.00000
     30       1.6641      2.00000
     31       1.7543      2.00000
     32       1.8229      2.00000
     33       1.8563      2.00000
     34       2.0118      2.00000
     35       2.0345      2.00000
     36       2.1733      2.00000
     37       2.2551      2.00000
     38       2.3621      2.00000
     39       2.4569      2.00000
     40       2.5047      2.00000
     41       2.5659      2.00000
     42       2.6083      2.00000
     43       2.6861      2.00000
     44       2.7364      2.00000
     45       2.8052      2.00000
     46       2.8227      2.00000
     47       2.9258      2.00000
     48       3.0542      2.00000
     49       3.1161      2.00000
     50       3.1982      2.00000
     51       3.2407      2.00000
     52       3.2742      2.00000
     53       3.4200      2.00000
     54       3.6191      2.00000
     55       3.7153      2.00000
     56       3.8517      2.00000
     57       4.0989      2.00000
     58       4.5861      2.00000
     59       5.5136      2.00195
     60       6.2798     -0.06961
     61       6.7983     -0.00000
     62       7.1048     -0.00000
     63       7.7187     -0.00000
     64       8.1716     -0.00000
     65       8.5893     -0.00000
     66       8.7243     -0.00000
     67       9.6426     -0.00000
     68      10.2976     -0.00000
     69      10.6199     -0.00000
     70      10.6674     -0.00000
     71      11.1353     -0.00000
     72      11.7274      0.00000
     73      12.5585      0.00000
     74      12.9493      0.00000
     75      13.2341      0.00000
     76      13.2983      0.00000
     77      13.4845      0.00000
     78      13.8680      0.00000
     79      14.4552      0.00000
     80      14.7179      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0318      2.00000
      9      -0.4130      2.00000
     10      -0.1242      2.00000
     11       0.3215      2.00000
     12       0.4233      2.00000
     13       0.4999      2.00000
     14       0.5866      2.00000
     15       0.6474      2.00000
     16       0.7351      2.00000
     17       0.8394      2.00000
     18       0.9165      2.00000
     19       0.9968      2.00000
     20       1.0422      2.00000
     21       1.0764      2.00000
     22       1.1757      2.00000
     23       1.2301      2.00000
     24       1.2823      2.00000
     25       1.3119      2.00000
     26       1.3602      2.00000
     27       1.4561      2.00000
     28       1.5542      2.00000
     29       1.6066      2.00000
     30       1.7274      2.00000
     31       1.8138      2.00000
     32       1.8600      2.00000
     33       1.9602      2.00000
     34       2.0170      2.00000
     35       2.1116      2.00000
     36       2.1248      2.00000
     37       2.1896      2.00000
     38       2.2545      2.00000
     39       2.3085      2.00000
     40       2.4032      2.00000
     41       2.4908      2.00000
     42       2.5398      2.00000
     43       2.6572      2.00000
     44       2.6953      2.00000
     45       2.7468      2.00000
     46       2.7976      2.00000
     47       2.8421      2.00000
     48       2.9280      2.00000
     49       3.0157      2.00000
     50       3.1019      2.00000
     51       3.1454      2.00000
     52       3.2395      2.00000
     53       3.3653      2.00000
     54       3.4598      2.00000
     55       3.5830      2.00000
     56       3.8237      2.00000
     57       4.6171      2.00000
     58       5.0105      2.00000
     59       5.4489      2.00040
     60       5.7912      2.06900
     61       6.4842     -0.00508
     62       6.8397     -0.00000
     63       6.9868     -0.00000
     64       7.5310     -0.00000
     65       7.9991     -0.00000
     66       8.3480     -0.00000
     67       8.6940     -0.00000
     68       9.4268     -0.00000
     69       9.8083     -0.00000
     70      10.3586     -0.00000
     71      10.4803     -0.00000
     72      10.7936     -0.00000
     73      11.4151     -0.00000
     74      12.1924      0.00000
     75      13.1303      0.00000
     76      13.6925      0.00000
     77      13.7594      0.00000
     78      13.8838      0.00000
     79      14.2943      0.00000
     80      14.6954      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3902      2.00000
      9      -0.1093      2.00000
     10       0.0914      2.00000
     11       0.1638      2.00000
     12       0.4856      2.00000
     13       0.5103      2.00000
     14       0.5615      2.00000
     15       0.6355      2.00000
     16       0.8277      2.00000
     17       0.9189      2.00000
     18       0.9344      2.00000
     19       1.1136      2.00000
     20       1.1692      2.00000
     21       1.1854      2.00000
     22       1.2683      2.00000
     23       1.3726      2.00000
     24       1.3923      2.00000
     25       1.4077      2.00000
     26       1.4785      2.00000
     27       1.5182      2.00000
     28       1.6470      2.00000
     29       1.6853      2.00000
     30       1.7356      2.00000
     31       1.8045      2.00000
     32       1.9132      2.00000
     33       1.9569      2.00000
     34       2.0648      2.00000
     35       2.1481      2.00000
     36       2.1648      2.00000
     37       2.1858      2.00000
     38       2.2819      2.00000
     39       2.3167      2.00000
     40       2.3730      2.00000
     41       2.4651      2.00000
     42       2.4824      2.00000
     43       2.5512      2.00000
     44       2.6422      2.00000
     45       2.6748      2.00000
     46       2.7614      2.00000
     47       2.8047      2.00000
     48       2.8430      2.00000
     49       2.9255      2.00000
     50       3.0639      2.00000
     51       3.1662      2.00000
     52       3.2724      2.00000
     53       3.3673      2.00000
     54       3.5583      2.00000
     55       3.6427      2.00000
     56       3.8259      2.00000
     57       4.1515      2.00000
     58       4.2990      2.00000
     59       5.1388      2.00000
     60       5.8694      1.95751
     61       6.0524      0.73902
     62       6.1772      0.03048
     63       6.8214     -0.00000
     64       7.0814     -0.00000
     65       7.6740     -0.00000
     66       8.2220     -0.00000
     67       8.4886     -0.00000
     68       8.8364     -0.00000
     69       9.4886     -0.00000
     70       9.7788     -0.00000
     71      10.5314     -0.00000
     72      10.9714     -0.00000
     73      11.1466     -0.00000
     74      11.7885      0.00000
     75      12.2876      0.00000
     76      12.7659      0.00000
     77      13.4163      0.00000
     78      13.7833      0.00000
     79      13.9630      0.00000
     80      14.6514      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4446      2.00000
      9      -0.1790      2.00000
     10       0.0377      2.00000
     11       0.1378      2.00000
     12       0.5048      2.00000
     13       0.5273      2.00000
     14       0.7046      2.00000
     15       0.7425      2.00000
     16       0.8749      2.00000
     17       0.9147      2.00000
     18       0.9907      2.00000
     19       1.0688      2.00000
     20       1.0882      2.00000
     21       1.2418      2.00000
     22       1.2807      2.00000
     23       1.3298      2.00000
     24       1.3870      2.00000
     25       1.3958      2.00000
     26       1.4481      2.00000
     27       1.4945      2.00000
     28       1.6701      2.00000
     29       1.7030      2.00000
     30       1.7480      2.00000
     31       1.8051      2.00000
     32       1.8799      2.00000
     33       1.9076      2.00000
     34       2.0454      2.00000
     35       2.0838      2.00000
     36       2.1470      2.00000
     37       2.1635      2.00000
     38       2.2323      2.00000
     39       2.3407      2.00000
     40       2.4441      2.00000
     41       2.4663      2.00000
     42       2.5438      2.00000
     43       2.5858      2.00000
     44       2.6287      2.00000
     45       2.6795      2.00000
     46       2.7358      2.00000
     47       2.8111      2.00000
     48       2.8514      2.00000
     49       2.9121      2.00000
     50       3.1011      2.00000
     51       3.1837      2.00000
     52       3.2092      2.00000
     53       3.5217      2.00000
     54       3.5550      2.00000
     55       3.7451      2.00000
     56       4.2057      2.00000
     57       4.3962      2.00000
     58       4.5691      2.00000
     59       4.7267      2.00000
     60       5.1888      2.00000
     61       5.6205      2.01583
     62       6.0867      0.47717
     63       6.1033      0.36591
     64       7.1074     -0.00000
     65       8.2687     -0.00000
     66       8.4033     -0.00000
     67       8.9109     -0.00000
     68       9.1609     -0.00000
     69       9.2570     -0.00000
     70       9.9656     -0.00000
     71      10.4700     -0.00000
     72      10.6042     -0.00000
     73      11.3592     -0.00000
     74      11.9234      0.00000
     75      12.5808      0.00000
     76      13.1672      0.00000
     77      13.5240      0.00000
     78      13.8816      0.00000
     79      14.1366      0.00000
     80      14.4575      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.1623      2.00000
      9      -0.4803      2.00000
     10       0.0252      2.00000
     11       0.1486      2.00000
     12       0.5206      2.00000
     13       0.5891      2.00000
     14       0.6497      2.00000
     15       0.6887      2.00000
     16       0.8210      2.00000
     17       0.8366      2.00000
     18       0.8716      2.00000
     19       0.9597      2.00000
     20       1.0889      2.00000
     21       1.1310      2.00000
     22       1.1868      2.00000
     23       1.2102      2.00000
     24       1.3070      2.00000
     25       1.3405      2.00000
     26       1.3963      2.00000
     27       1.4463      2.00000
     28       1.4790      2.00000
     29       1.6391      2.00000
     30       1.7388      2.00000
     31       1.7632      2.00000
     32       1.8410      2.00000
     33       1.9028      2.00000
     34       1.9617      2.00000
     35       2.0587      2.00000
     36       2.1616      2.00000
     37       2.2272      2.00000
     38       2.2978      2.00000
     39       2.3635      2.00000
     40       2.4417      2.00000
     41       2.5204      2.00000
     42       2.5590      2.00000
     43       2.6058      2.00000
     44       2.6603      2.00000
     45       2.7710      2.00000
     46       2.7951      2.00000
     47       2.8783      2.00000
     48       2.8909      2.00000
     49       3.0489      2.00000
     50       3.0933      2.00000
     51       3.1394      2.00000
     52       3.2132      2.00000
     53       3.3228      2.00000
     54       3.5330      2.00000
     55       3.7027      2.00000
     56       4.1028      2.00000
     57       4.4582      2.00000
     58       4.8499      2.00000
     59       5.4981      2.00136
     60       5.7052      2.04798
     61       6.0858      0.48375
     62       6.3667     -0.03473
     63       6.9725     -0.00000
     64       7.1885     -0.00000
     65       7.5857     -0.00000
     66       8.2244     -0.00000
     67       8.9869     -0.00000
     68       9.2570     -0.00000
     69      10.2414     -0.00000
     70      11.0418     -0.00000
     71      11.3231     -0.00000
     72      11.6883      0.00000
     73      12.1277      0.00000
     74      12.3733      0.00000
     75      12.7946      0.00000
     76      13.4292      0.00000
     77      13.6366      0.00000
     78      13.9066      0.00000
     79      14.2948      0.00000
     80      14.4183      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6518      2.00000
      5     -39.6516      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.7566      2.00000
      9      -0.6350      2.00000
     10       0.0420      2.00000
     11       0.1794      2.00000
     12       0.3297      2.00000
     13       0.3380      2.00000
     14       0.4050      2.00000
     15       0.6260      2.00000
     16       0.6445      2.00000
     17       0.7347      2.00000
     18       0.8138      2.00000
     19       0.8860      2.00000
     20       0.9094      2.00000
     21       1.0610      2.00000
     22       1.0669      2.00000
     23       1.1517      2.00000
     24       1.2189      2.00000
     25       1.2785      2.00000
     26       1.3031      2.00000
     27       1.3338      2.00000
     28       1.4631      2.00000
     29       1.6646      2.00000
     30       1.6828      2.00000
     31       1.7710      2.00000
     32       1.8312      2.00000
     33       1.9027      2.00000
     34       1.9249      2.00000
     35       2.0807      2.00000
     36       2.1560      2.00000
     37       2.2855      2.00000
     38       2.3344      2.00000
     39       2.3836      2.00000
     40       2.4876      2.00000
     41       2.5225      2.00000
     42       2.6199      2.00000
     43       2.7414      2.00000
     44       2.7981      2.00000
     45       2.8273      2.00000
     46       2.8736      2.00000
     47       2.9359      2.00000
     48       3.0262      2.00000
     49       3.0942      2.00000
     50       3.1276      2.00000
     51       3.2116      2.00000
     52       3.2683      2.00000
     53       3.4383      2.00000
     54       3.6812      2.00000
     55       3.7946      2.00000
     56       3.9501      2.00000
     57       4.1245      2.00000
     58       4.8599      2.00000
     59       5.0493      2.00000
     60       5.5651      2.00584
     61       6.7243     -0.00001
     62       7.1792     -0.00000
     63       7.7313     -0.00000
     64       8.2316     -0.00000
     65       8.7084     -0.00000
     66       8.9850     -0.00000
     67       9.3926     -0.00000
     68      10.1952     -0.00000
     69      10.7713     -0.00000
     70      10.8298     -0.00000
     71      11.4171     -0.00000
     72      12.4784      0.00000
     73      12.9018      0.00000
     74      13.0779      0.00000
     75      13.2756      0.00000
     76      13.4471      0.00000
     77      13.8153      0.00000
     78      13.8834      0.00000
     79      14.3151      0.00000
     80      14.4261      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9110      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6100      2.00000
      7     -39.5953      2.00000
      8      -1.8644      2.00000
      9      -0.8971      2.00000
     10      -0.0306      2.00000
     11       0.1616      2.00000
     12       0.2094      2.00000
     13       0.2946      2.00000
     14       0.4282      2.00000
     15       0.5821      2.00000
     16       0.6113      2.00000
     17       0.6225      2.00000
     18       0.6881      2.00000
     19       0.7738      2.00000
     20       0.8431      2.00000
     21       0.9354      2.00000
     22       1.0388      2.00000
     23       1.0787      2.00000
     24       1.2504      2.00000
     25       1.2991      2.00000
     26       1.3961      2.00000
     27       1.4205      2.00000
     28       1.5906      2.00000
     29       1.6086      2.00000
     30       1.6484      2.00000
     31       1.7038      2.00000
     32       1.8050      2.00000
     33       1.8860      2.00000
     34       1.9442      2.00000
     35       2.1674      2.00000
     36       2.2250      2.00000
     37       2.2324      2.00000
     38       2.2945      2.00000
     39       2.4439      2.00000
     40       2.5016      2.00000
     41       2.6221      2.00000
     42       2.6618      2.00000
     43       2.6698      2.00000
     44       2.8192      2.00000
     45       2.8414      2.00000
     46       2.8856      2.00000
     47       2.9085      2.00000
     48       3.0611      2.00000
     49       3.1102      2.00000
     50       3.1503      2.00000
     51       3.3232      2.00000
     52       3.3673      2.00000
     53       3.4590      2.00000
     54       3.6354      2.00000
     55       3.9603      2.00000
     56       4.2249      2.00000
     57       4.2340      2.00000
     58       4.3494      2.00000
     59       4.8938      2.00000
     60       6.2841     -0.06871
     61       6.4929     -0.00426
     62       6.9268     -0.00000
     63       7.2062     -0.00000
     64       8.8205     -0.00000
     65       9.5564     -0.00000
     66       9.7103     -0.00000
     67       9.9024     -0.00000
     68      10.9907     -0.00000
     69      11.2011     -0.00000
     70      11.2932     -0.00000
     71      11.4612     -0.00000
     72      12.3167      0.00000
     73      12.6982      0.00000
     74      13.1400      0.00000
     75      13.4020      0.00000
     76      13.5312      0.00000
     77      13.8265      0.00000
     78      13.9940      0.00000
     79      14.2767      0.00000
     80      14.5336      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5838      2.00000
      9      -0.8168      2.00000
     10      -0.1472      2.00000
     11       0.2263      2.00000
     12       0.2638      2.00000
     13       0.4241      2.00000
     14       0.5027      2.00000
     15       0.5749      2.00000
     16       0.6201      2.00000
     17       0.6877      2.00000
     18       0.7863      2.00000
     19       0.8876      2.00000
     20       0.9589      2.00000
     21       0.9830      2.00000
     22       1.0530      2.00000
     23       1.1553      2.00000
     24       1.2159      2.00000
     25       1.2952      2.00000
     26       1.3702      2.00000
     27       1.4012      2.00000
     28       1.5309      2.00000
     29       1.5643      2.00000
     30       1.6199      2.00000
     31       1.6718      2.00000
     32       1.8889      2.00000
     33       1.9682      2.00000
     34       2.0204      2.00000
     35       2.1603      2.00000
     36       2.1866      2.00000
     37       2.2680      2.00000
     38       2.3166      2.00000
     39       2.3649      2.00000
     40       2.3886      2.00000
     41       2.4488      2.00000
     42       2.6554      2.00000
     43       2.6714      2.00000
     44       2.7754      2.00000
     45       2.7925      2.00000
     46       2.8419      2.00000
     47       2.9843      2.00000
     48       3.0112      2.00000
     49       3.1180      2.00000
     50       3.1798      2.00000
     51       3.1895      2.00000
     52       3.3079      2.00000
     53       3.4594      2.00000
     54       3.6491      2.00000
     55       3.7027      2.00000
     56       3.8915      2.00000
     57       4.4383      2.00000
     58       4.9049      2.00000
     59       5.5441      2.00381
     60       5.8587      1.98627
     61       6.5096     -0.00299
     62       7.0424     -0.00000
     63       7.5262     -0.00000
     64       8.0727     -0.00000
     65       8.3189     -0.00000
     66       8.9239     -0.00000
     67       9.4034     -0.00000
     68       9.6712     -0.00000
     69      10.4663     -0.00000
     70      12.0090      0.00000
     71      12.3105      0.00000
     72      12.4000      0.00000
     73      12.5587      0.00000
     74      12.7256      0.00000
     75      12.8567      0.00000
     76      13.3265      0.00000
     77      13.6076      0.00000
     78      13.9236      0.00000
     79      14.0087      0.00000
     80      14.4226      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0277      2.00000
      9      -0.3855      2.00000
     10      -0.1339      2.00000
     11       0.3209      2.00000
     12       0.3982      2.00000
     13       0.4951      2.00000
     14       0.5326      2.00000
     15       0.6726      2.00000
     16       0.7801      2.00000
     17       0.8137      2.00000
     18       0.9320      2.00000
     19       0.9413      2.00000
     20       1.0263      2.00000
     21       1.0736      2.00000
     22       1.1638      2.00000
     23       1.2179      2.00000
     24       1.3065      2.00000
     25       1.3531      2.00000
     26       1.4121      2.00000
     27       1.4776      2.00000
     28       1.5476      2.00000
     29       1.6132      2.00000
     30       1.7524      2.00000
     31       1.8250      2.00000
     32       1.8870      2.00000
     33       1.9240      2.00000
     34       1.9889      2.00000
     35       2.0406      2.00000
     36       2.0829      2.00000
     37       2.1369      2.00000
     38       2.2150      2.00000
     39       2.3124      2.00000
     40       2.4653      2.00000
     41       2.5025      2.00000
     42       2.5644      2.00000
     43       2.6229      2.00000
     44       2.6835      2.00000
     45       2.7971      2.00000
     46       2.8238      2.00000
     47       2.8759      2.00000
     48       2.9240      2.00000
     49       2.9744      2.00000
     50       3.0847      2.00000
     51       3.1724      2.00000
     52       3.2491      2.00000
     53       3.2852      2.00000
     54       3.4714      2.00000
     55       3.6094      2.00000
     56       4.0089      2.00000
     57       4.4763      2.00000
     58       5.2600      2.00000
     59       5.6815      2.03724
     60       5.9036      1.82891
     61       6.2938     -0.06608
     62       6.5263     -0.00206
     63       6.7008     -0.00002
     64       7.4444     -0.00000
     65       7.6905     -0.00000
     66       8.1062     -0.00000
     67       9.1395     -0.00000
     68       9.8262     -0.00000
     69       9.9540     -0.00000
     70      10.1254     -0.00000
     71      11.1022     -0.00000
     72      11.1899     -0.00000
     73      11.7695      0.00000
     74      12.0758      0.00000
     75      12.4235      0.00000
     76      12.7746      0.00000
     77      13.2936      0.00000
     78      13.6744      0.00000
     79      14.0701      0.00000
     80      14.4182      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3906      2.00000
      9      -0.0872      2.00000
     10       0.0700      2.00000
     11       0.1453      2.00000
     12       0.4160      2.00000
     13       0.5177      2.00000
     14       0.6061      2.00000
     15       0.7144      2.00000
     16       0.8515      2.00000
     17       0.9046      2.00000
     18       0.9142      2.00000
     19       1.0959      2.00000
     20       1.1518      2.00000
     21       1.1832      2.00000
     22       1.2461      2.00000
     23       1.3155      2.00000
     24       1.4003      2.00000
     25       1.4612      2.00000
     26       1.4929      2.00000
     27       1.5969      2.00000
     28       1.6685      2.00000
     29       1.7118      2.00000
     30       1.7319      2.00000
     31       1.8362      2.00000
     32       1.8797      2.00000
     33       1.9603      2.00000
     34       1.9818      2.00000
     35       2.0732      2.00000
     36       2.1224      2.00000
     37       2.2348      2.00000
     38       2.3021      2.00000
     39       2.3490      2.00000
     40       2.3893      2.00000
     41       2.4570      2.00000
     42       2.5131      2.00000
     43       2.5273      2.00000
     44       2.6268      2.00000
     45       2.6924      2.00000
     46       2.7320      2.00000
     47       2.7951      2.00000
     48       2.8463      2.00000
     49       2.8734      2.00000
     50       3.0706      2.00000
     51       3.1422      2.00000
     52       3.2712      2.00000
     53       3.3275      2.00000
     54       3.4828      2.00000
     55       3.5899      2.00000
     56       3.7351      2.00000
     57       4.4148      2.00000
     58       4.7764      2.00000
     59       5.1281      2.00000
     60       5.6639      2.02994
     61       5.9472      1.58073
     62       6.2136     -0.04143
     63       6.5200     -0.00238
     64       6.7366     -0.00001
     65       7.7473     -0.00000
     66       8.0549     -0.00000
     67       8.5199     -0.00000
     68       9.3089     -0.00000
     69       9.7476     -0.00000
     70      10.1845     -0.00000
     71      10.8605     -0.00000
     72      10.9742     -0.00000
     73      11.3780     -0.00000
     74      11.5941      0.00000
     75      12.1330      0.00000
     76      12.4646      0.00000
     77      13.1253      0.00000
     78      13.4237      0.00000
     79      14.0216      0.00000
     80      14.2863      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6516      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4413      2.00000
      9      -0.1553      2.00000
     10      -0.0384      2.00000
     11       0.1366      2.00000
     12       0.5482      2.00000
     13       0.6657      2.00000
     14       0.7005      2.00000
     15       0.7298      2.00000
     16       0.7982      2.00000
     17       0.8838      2.00000
     18       0.9547      2.00000
     19       1.0835      2.00000
     20       1.1068      2.00000
     21       1.1380      2.00000
     22       1.2621      2.00000
     23       1.3365      2.00000
     24       1.3679      2.00000
     25       1.3913      2.00000
     26       1.5426      2.00000
     27       1.5852      2.00000
     28       1.6689      2.00000
     29       1.7155      2.00000
     30       1.7641      2.00000
     31       1.8161      2.00000
     32       1.8571      2.00000
     33       1.9618      2.00000
     34       2.0020      2.00000
     35       2.0932      2.00000
     36       2.1617      2.00000
     37       2.2413      2.00000
     38       2.3271      2.00000
     39       2.3401      2.00000
     40       2.4494      2.00000
     41       2.4693      2.00000
     42       2.4962      2.00000
     43       2.5217      2.00000
     44       2.5658      2.00000
     45       2.5817      2.00000
     46       2.7243      2.00000
     47       2.7596      2.00000
     48       2.8140      2.00000
     49       2.8830      2.00000
     50       3.1277      2.00000
     51       3.1640      2.00000
     52       3.2892      2.00000
     53       3.5116      2.00000
     54       3.5743      2.00000
     55       3.6475      2.00000
     56       4.0712      2.00000
     57       4.4111      2.00000
     58       4.5179      2.00000
     59       5.0100      2.00000
     60       5.1499      2.00000
     61       5.8176      2.05380
     62       6.1435      0.14954
     63       6.5110     -0.00290
     64       7.1579     -0.00000
     65       7.2607     -0.00000
     66       7.7693     -0.00000
     67       8.3295     -0.00000
     68       9.5522     -0.00000
     69       9.9855     -0.00000
     70      10.5831     -0.00000
     71      11.0056     -0.00000
     72      11.2602     -0.00000
     73      11.7995      0.00000
     74      12.0370      0.00000
     75      12.2639      0.00000
     76      12.8797      0.00000
     77      13.1455      0.00000
     78      13.3212      0.00000
     79      14.1398      0.00000
     80      14.3310      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.2081      2.00000
      9      -0.3447      2.00000
     10      -0.0770      2.00000
     11       0.1062      2.00000
     12       0.5489      2.00000
     13       0.5735      2.00000
     14       0.6376      2.00000
     15       0.7139      2.00000
     16       0.8451      2.00000
     17       0.8775      2.00000
     18       0.9451      2.00000
     19       1.0063      2.00000
     20       1.0836      2.00000
     21       1.1117      2.00000
     22       1.1739      2.00000
     23       1.2453      2.00000
     24       1.2630      2.00000
     25       1.3212      2.00000
     26       1.3866      2.00000
     27       1.3937      2.00000
     28       1.5510      2.00000
     29       1.6760      2.00000
     30       1.7007      2.00000
     31       1.8145      2.00000
     32       1.8850      2.00000
     33       1.9309      2.00000
     34       2.0066      2.00000
     35       2.0213      2.00000
     36       2.0562      2.00000
     37       2.1610      2.00000
     38       2.2059      2.00000
     39       2.3993      2.00000
     40       2.4401      2.00000
     41       2.4935      2.00000
     42       2.5412      2.00000
     43       2.6167      2.00000
     44       2.6619      2.00000
     45       2.7698      2.00000
     46       2.8559      2.00000
     47       2.8856      2.00000
     48       2.9225      2.00000
     49       3.0230      2.00000
     50       3.0560      2.00000
     51       3.1046      2.00000
     52       3.1919      2.00000
     53       3.2853      2.00000
     54       3.5293      2.00000
     55       3.6543      2.00000
     56       4.0053      2.00000
     57       4.3370      2.00000
     58       5.3261      2.00001
     59       5.4787      2.00085
     60       5.6690      2.03196
     61       5.8430      2.01952
     62       6.6363     -0.00012
     63       6.9580     -0.00000
     64       7.4559     -0.00000
     65       7.8336     -0.00000
     66       7.8998     -0.00000
     67       8.4595     -0.00000
     68       9.7077     -0.00000
     69       9.9912     -0.00000
     70      10.4227     -0.00000
     71      11.7528      0.00000
     72      12.2501      0.00000
     73      12.5597      0.00000
     74      12.8886      0.00000
     75      13.0901      0.00000
     76      13.3945      0.00000
     77      13.4593      0.00000
     78      13.5471      0.00000
     79      13.8857      0.00000
     80      14.1098      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.7439      2.00000
      9      -0.6702      2.00000
     10       0.0125      2.00000
     11       0.2325      2.00000
     12       0.3195      2.00000
     13       0.3415      2.00000
     14       0.4038      2.00000
     15       0.6272      2.00000
     16       0.6403      2.00000
     17       0.7192      2.00000
     18       0.8118      2.00000
     19       0.8772      2.00000
     20       0.9576      2.00000
     21       1.0194      2.00000
     22       1.0867      2.00000
     23       1.1534      2.00000
     24       1.2292      2.00000
     25       1.2610      2.00000
     26       1.3350      2.00000
     27       1.4005      2.00000
     28       1.4401      2.00000
     29       1.6054      2.00000
     30       1.6809      2.00000
     31       1.7245      2.00000
     32       1.8247      2.00000
     33       1.8777      2.00000
     34       1.9571      2.00000
     35       2.1319      2.00000
     36       2.1952      2.00000
     37       2.2571      2.00000
     38       2.3105      2.00000
     39       2.3989      2.00000
     40       2.5150      2.00000
     41       2.5388      2.00000
     42       2.6114      2.00000
     43       2.7232      2.00000
     44       2.7608      2.00000
     45       2.8033      2.00000
     46       2.8849      2.00000
     47       2.9661      2.00000
     48       2.9984      2.00000
     49       3.1204      2.00000
     50       3.1601      2.00000
     51       3.2114      2.00000
     52       3.2891      2.00000
     53       3.4352      2.00000
     54       3.6321      2.00000
     55       3.7818      2.00000
     56       3.9537      2.00000
     57       4.1587      2.00000
     58       4.5113      2.00000
     59       5.2795      2.00000
     60       6.0597      0.68056
     61       6.5862     -0.00048
     62       6.9961     -0.00000
     63       7.7979     -0.00000
     64       8.0740     -0.00000
     65       8.3367     -0.00000
     66       8.7225     -0.00000
     67       9.6861     -0.00000
     68      10.4589     -0.00000
     69      10.9145     -0.00000
     70      11.0350     -0.00000
     71      11.3102     -0.00000
     72      12.5085      0.00000
     73      12.8857      0.00000
     74      13.0403      0.00000
     75      13.1684      0.00000
     76      13.5059      0.00000
     77      13.5927      0.00000
     78      13.9467      0.00000
     79      14.3554      0.00000
     80      14.4836      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9110      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6099      2.00000
      7     -39.5953      2.00000
      8      -1.8569      2.00000
      9      -0.9332      2.00000
     10       0.0391      2.00000
     11       0.1696      2.00000
     12       0.2056      2.00000
     13       0.2891      2.00000
     14       0.4214      2.00000
     15       0.5937      2.00000
     16       0.6119      2.00000
     17       0.6227      2.00000
     18       0.6900      2.00000
     19       0.7227      2.00000
     20       0.8420      2.00000
     21       0.9491      2.00000
     22       1.0875      2.00000
     23       1.1032      2.00000
     24       1.2009      2.00000
     25       1.2704      2.00000
     26       1.3527      2.00000
     27       1.3666      2.00000
     28       1.5518      2.00000
     29       1.6508      2.00000
     30       1.6927      2.00000
     31       1.7101      2.00000
     32       1.8013      2.00000
     33       1.8677      2.00000
     34       1.8976      2.00000
     35       2.1252      2.00000
     36       2.2183      2.00000
     37       2.2544      2.00000
     38       2.3872      2.00000
     39       2.4347      2.00000
     40       2.5278      2.00000
     41       2.5920      2.00000
     42       2.6223      2.00000
     43       2.6796      2.00000
     44       2.8486      2.00000
     45       2.8706      2.00000
     46       2.9860      2.00000
     47       3.0487      2.00000
     48       3.0565      2.00000
     49       3.1290      2.00000
     50       3.1907      2.00000
     51       3.2780      2.00000
     52       3.3160      2.00000
     53       3.5427      2.00000
     54       3.6498      2.00000
     55       3.9200      2.00000
     56       3.9421      2.00000
     57       4.2187      2.00000
     58       4.4090      2.00000
     59       5.0048      2.00000
     60       5.6022      2.01163
     61       6.2263     -0.05515
     62       7.7514     -0.00000
     63       8.1801     -0.00000
     64       8.6188     -0.00000
     65       8.6464     -0.00000
     66       9.7794     -0.00000
     67      10.3977     -0.00000
     68      10.5997     -0.00000
     69      10.8142     -0.00000
     70      11.2556     -0.00000
     71      11.7459      0.00000
     72      12.4735      0.00000
     73      12.7346      0.00000
     74      12.8317      0.00000
     75      13.1470      0.00000
     76      13.2529      0.00000
     77      13.6959      0.00000
     78      14.4306      0.00000
     79      14.4946      0.00000
     80      14.5593      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.6555      2.00000
      9      -0.6518      2.00000
     10      -0.2069      2.00000
     11       0.2451      2.00000
     12       0.2915      2.00000
     13       0.4344      2.00000
     14       0.4392      2.00000
     15       0.5894      2.00000
     16       0.6329      2.00000
     17       0.7257      2.00000
     18       0.7814      2.00000
     19       0.8749      2.00000
     20       0.9389      2.00000
     21       0.9840      2.00000
     22       1.0810      2.00000
     23       1.1444      2.00000
     24       1.1781      2.00000
     25       1.2534      2.00000
     26       1.3642      2.00000
     27       1.3773      2.00000
     28       1.4958      2.00000
     29       1.6233      2.00000
     30       1.6462      2.00000
     31       1.7447      2.00000
     32       1.8774      2.00000
     33       1.8980      2.00000
     34       1.9990      2.00000
     35       2.0800      2.00000
     36       2.1800      2.00000
     37       2.2405      2.00000
     38       2.3214      2.00000
     39       2.4033      2.00000
     40       2.4757      2.00000
     41       2.5672      2.00000
     42       2.6342      2.00000
     43       2.7236      2.00000
     44       2.7661      2.00000
     45       2.8221      2.00000
     46       2.8540      2.00000
     47       2.9329      2.00000
     48       3.0228      2.00000
     49       3.0814      2.00000
     50       3.1430      2.00000
     51       3.2284      2.00000
     52       3.2603      2.00000
     53       3.5481      2.00000
     54       3.6737      2.00000
     55       3.7447      2.00000
     56       3.8141      2.00000
     57       4.1011      2.00000
     58       4.9402      2.00000
     59       5.0812      2.00000
     60       5.8263      2.04457
     61       6.8112     -0.00000
     62       7.1860     -0.00000
     63       7.7763     -0.00000
     64       8.6881     -0.00000
     65       8.9465     -0.00000
     66       9.1310     -0.00000
     67       9.4602     -0.00000
     68       9.6252     -0.00000
     69       9.7933     -0.00000
     70      10.9408     -0.00000
     71      11.5685      0.00000
     72      12.1379      0.00000
     73      12.3316      0.00000
     74      12.4816      0.00000
     75      13.1641      0.00000
     76      13.3048      0.00000
     77      13.6961      0.00000
     78      14.0854      0.00000
     79      14.4034      0.00000
     80      14.5392      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -1.0750      2.00000
      9      -0.2675      2.00000
     10      -0.2098      2.00000
     11       0.2618      2.00000
     12       0.4267      2.00000
     13       0.5242      2.00000
     14       0.5595      2.00000
     15       0.6797      2.00000
     16       0.7905      2.00000
     17       0.8360      2.00000
     18       0.9133      2.00000
     19       1.0044      2.00000
     20       1.0939      2.00000
     21       1.1020      2.00000
     22       1.1486      2.00000
     23       1.2002      2.00000
     24       1.2315      2.00000
     25       1.2783      2.00000
     26       1.3593      2.00000
     27       1.4959      2.00000
     28       1.5822      2.00000
     29       1.6378      2.00000
     30       1.6645      2.00000
     31       1.8215      2.00000
     32       1.8411      2.00000
     33       1.9983      2.00000
     34       2.0064      2.00000
     35       2.0674      2.00000
     36       2.1713      2.00000
     37       2.2068      2.00000
     38       2.2475      2.00000
     39       2.2999      2.00000
     40       2.3745      2.00000
     41       2.5101      2.00000
     42       2.6301      2.00000
     43       2.6574      2.00000
     44       2.7221      2.00000
     45       2.7620      2.00000
     46       2.8051      2.00000
     47       2.8400      2.00000
     48       2.9337      2.00000
     49       2.9548      2.00000
     50       3.0970      2.00000
     51       3.1215      2.00000
     52       3.2105      2.00000
     53       3.4144      2.00000
     54       3.4970      2.00000
     55       3.5878      2.00000
     56       3.6881      2.00000
     57       4.4258      2.00000
     58       4.7987      2.00000
     59       5.4344      2.00027
     60       5.9950      1.21897
     61       6.6067     -0.00028
     62       6.9448     -0.00000
     63       7.0349     -0.00000
     64       7.3339     -0.00000
     65       8.2630     -0.00000
     66       8.5061     -0.00000
     67       8.8290     -0.00000
     68       9.3420     -0.00000
     69       9.9753     -0.00000
     70      10.1830     -0.00000
     71      10.3297     -0.00000
     72      11.0828     -0.00000
     73      11.7783      0.00000
     74      12.1375      0.00000
     75      12.3091      0.00000
     76      12.9741      0.00000
     77      13.7736      0.00000
     78      13.8248      0.00000
     79      14.0905      0.00000
     80      14.2243      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.3653      2.00000
      9      -0.1425      2.00000
     10       0.0805      2.00000
     11       0.1471      2.00000
     12       0.4577      2.00000
     13       0.5653      2.00000
     14       0.6379      2.00000
     15       0.6887      2.00000
     16       0.7354      2.00000
     17       0.8931      2.00000
     18       0.9486      2.00000
     19       1.0657      2.00000
     20       1.1488      2.00000
     21       1.1802      2.00000
     22       1.2173      2.00000
     23       1.3246      2.00000
     24       1.3800      2.00000
     25       1.4725      2.00000
     26       1.5365      2.00000
     27       1.5669      2.00000
     28       1.6365      2.00000
     29       1.7148      2.00000
     30       1.7832      2.00000
     31       1.8492      2.00000
     32       1.9092      2.00000
     33       1.9430      2.00000
     34       2.0898      2.00000
     35       2.1490      2.00000
     36       2.1558      2.00000
     37       2.2517      2.00000
     38       2.2632      2.00000
     39       2.3358      2.00000
     40       2.3759      2.00000
     41       2.4191      2.00000
     42       2.5132      2.00000
     43       2.5631      2.00000
     44       2.5975      2.00000
     45       2.6172      2.00000
     46       2.6900      2.00000
     47       2.7750      2.00000
     48       2.7953      2.00000
     49       2.8793      2.00000
     50       3.0732      2.00000
     51       3.1317      2.00000
     52       3.1878      2.00000
     53       3.3678      2.00000
     54       3.5353      2.00000
     55       3.6294      2.00000
     56       3.8867      2.00000
     57       4.3708      2.00000
     58       4.7274      2.00000
     59       5.1018      2.00000
     60       5.6374      2.02061
     61       5.6930      2.04239
     62       6.1981     -0.01724
     63       6.6493     -0.00008
     64       7.0095     -0.00000
     65       7.5058     -0.00000
     66       7.8746     -0.00000
     67       8.9956     -0.00000
     68       9.6026     -0.00000
     69       9.8929     -0.00000
     70      10.0884     -0.00000
     71      10.4751     -0.00000
     72      10.7355     -0.00000
     73      11.0918     -0.00000
     74      11.6185      0.00000
     75      12.2506      0.00000
     76      12.9627      0.00000
     77      13.1816      0.00000
     78      13.9022      0.00000
     79      13.9202      0.00000
     80      14.0596      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4498      2.00000
      9      -0.1473      2.00000
     10      -0.0124      2.00000
     11       0.1314      2.00000
     12       0.5366      2.00000
     13       0.5753      2.00000
     14       0.6461      2.00000
     15       0.7568      2.00000
     16       0.8633      2.00000
     17       0.9526      2.00000
     18       1.0000      2.00000
     19       1.0527      2.00000
     20       1.1086      2.00000
     21       1.1689      2.00000
     22       1.2247      2.00000
     23       1.3164      2.00000
     24       1.3938      2.00000
     25       1.4733      2.00000
     26       1.5047      2.00000
     27       1.5495      2.00000
     28       1.6007      2.00000
     29       1.7157      2.00000
     30       1.7565      2.00000
     31       1.7959      2.00000
     32       1.8983      2.00000
     33       1.9594      2.00000
     34       1.9714      2.00000
     35       2.0557      2.00000
     36       2.1816      2.00000
     37       2.1928      2.00000
     38       2.2896      2.00000
     39       2.3307      2.00000
     40       2.3578      2.00000
     41       2.4770      2.00000
     42       2.4976      2.00000
     43       2.5872      2.00000
     44       2.6174      2.00000
     45       2.6797      2.00000
     46       2.7713      2.00000
     47       2.8030      2.00000
     48       2.8158      2.00000
     49       2.9022      2.00000
     50       3.1247      2.00000
     51       3.1788      2.00000
     52       3.2331      2.00000
     53       3.5181      2.00000
     54       3.5743      2.00000
     55       3.6870      2.00000
     56       3.8811      2.00000
     57       4.4463      2.00000
     58       4.5836      2.00000
     59       4.9799      2.00000
     60       5.4266      2.00022
     61       5.7574      2.06852
     62       5.8239      2.04725
     63       6.7164     -0.00001
     64       6.9932     -0.00000
     65       7.2938     -0.00000
     66       7.5160     -0.00000
     67       9.0284     -0.00000
     68       9.4058     -0.00000
     69      10.1134     -0.00000
     70      10.5226     -0.00000
     71      10.8637     -0.00000
     72      11.2144     -0.00000
     73      11.4078     -0.00000
     74      11.6858      0.00000
     75      12.0216      0.00000
     76      12.6559      0.00000
     77      13.4658      0.00000
     78      13.5673      0.00000
     79      14.0978      0.00000
     80      14.1517      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6073      2.00000
      7     -39.5982      2.00000
      8      -1.1373      2.00000
      9      -0.5365      2.00000
     10       0.1056      2.00000
     11       0.1279      2.00000
     12       0.5079      2.00000
     13       0.5858      2.00000
     14       0.6524      2.00000
     15       0.6890      2.00000
     16       0.7995      2.00000
     17       0.8219      2.00000
     18       0.8463      2.00000
     19       0.9374      2.00000
     20       1.0962      2.00000
     21       1.1368      2.00000
     22       1.1775      2.00000
     23       1.2053      2.00000
     24       1.3202      2.00000
     25       1.3649      2.00000
     26       1.4042      2.00000
     27       1.4455      2.00000
     28       1.5129      2.00000
     29       1.5706      2.00000
     30       1.6931      2.00000
     31       1.7379      2.00000
     32       1.8774      2.00000
     33       1.9188      2.00000
     34       1.9739      2.00000
     35       2.1199      2.00000
     36       2.1656      2.00000
     37       2.2434      2.00000
     38       2.2877      2.00000
     39       2.3524      2.00000
     40       2.4271      2.00000
     41       2.5175      2.00000
     42       2.5727      2.00000
     43       2.6627      2.00000
     44       2.6957      2.00000
     45       2.7664      2.00000
     46       2.8095      2.00000
     47       2.8537      2.00000
     48       2.9118      2.00000
     49       2.9635      2.00000
     50       3.0811      2.00000
     51       3.1236      2.00000
     52       3.2088      2.00000
     53       3.3498      2.00000
     54       3.5135      2.00000
     55       3.7041      2.00000
     56       4.1250      2.00000
     57       4.6071      2.00000
     58       4.9836      2.00000
     59       5.3628      2.00003
     60       5.6899      2.04096
     61       6.0312      0.91480
     62       6.2210     -0.05006
     63       6.7033     -0.00002
     64       7.1792     -0.00000
     65       7.6239     -0.00000
     66       8.7449     -0.00000
     67       8.9084     -0.00000
     68       9.3594     -0.00000
     69      10.4071     -0.00000
     70      10.6123     -0.00000
     71      11.0194     -0.00000
     72      11.6273      0.00000
     73      12.2231      0.00000
     74      12.5031      0.00000
     75      12.8228      0.00000
     76      13.3595      0.00000
     77      13.5929      0.00000
     78      14.0797      0.00000
     79      14.2388      0.00000
     80      14.4822      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5961      2.00000
      8      -1.6587      2.00000
      9      -0.8896      2.00000
     10       0.1415      2.00000
     11       0.2610      2.00000
     12       0.3104      2.00000
     13       0.3224      2.00000
     14       0.3991      2.00000
     15       0.6230      2.00000
     16       0.6442      2.00000
     17       0.6661      2.00000
     18       0.7525      2.00000
     19       0.8551      2.00000
     20       0.9363      2.00000
     21       1.0573      2.00000
     22       1.1246      2.00000
     23       1.1804      2.00000
     24       1.2189      2.00000
     25       1.2759      2.00000
     26       1.3790      2.00000
     27       1.3930      2.00000
     28       1.4750      2.00000
     29       1.5932      2.00000
     30       1.6922      2.00000
     31       1.7416      2.00000
     32       1.8462      2.00000
     33       1.8544      2.00000
     34       2.0330      2.00000
     35       2.1585      2.00000
     36       2.1928      2.00000
     37       2.2336      2.00000
     38       2.2648      2.00000
     39       2.3711      2.00000
     40       2.4454      2.00000
     41       2.5165      2.00000
     42       2.6253      2.00000
     43       2.6566      2.00000
     44       2.7808      2.00000
     45       2.8302      2.00000
     46       2.8786      2.00000
     47       2.9551      2.00000
     48       2.9878      2.00000
     49       3.1162      2.00000
     50       3.1888      2.00000
     51       3.2094      2.00000
     52       3.2962      2.00000
     53       3.4796      2.00000
     54       3.7186      2.00000
     55       3.9418      2.00000
     56       3.9656      2.00000
     57       4.1989      2.00000
     58       4.6023      2.00000
     59       5.0580      2.00000
     60       5.6539      2.02614
     61       6.7450     -0.00000
     62       7.3438     -0.00000
     63       7.6665     -0.00000
     64       8.2665     -0.00000
     65       8.4750     -0.00000
     66       8.5686     -0.00000
     67       9.0107     -0.00000
     68       9.2297     -0.00000
     69      11.3385     -0.00000
     70      12.1292      0.00000
     71      12.4225      0.00000
     72      12.6619      0.00000
     73      12.8390      0.00000
     74      13.1011      0.00000
     75      13.2887      0.00000
     76      13.5484      0.00000
     77      13.7131      0.00000
     78      13.7834      0.00000
     79      13.8902      0.00000
     80      14.0676      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6520      2.00000
      5     -39.6515      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6611      2.00000
      9      -0.7763      2.00000
     10      -0.6013      2.00000
     11       0.0763      2.00000
     12       0.2626      2.00000
     13       0.3774      2.00000
     14       0.3916      2.00000
     15       0.5504      2.00000
     16       0.6306      2.00000
     17       0.7410      2.00000
     18       0.7418      2.00000
     19       0.8353      2.00000
     20       0.8899      2.00000
     21       0.9236      2.00000
     22       1.0482      2.00000
     23       1.1033      2.00000
     24       1.1343      2.00000
     25       1.2350      2.00000
     26       1.3260      2.00000
     27       1.3558      2.00000
     28       1.4888      2.00000
     29       1.6061      2.00000
     30       1.6172      2.00000
     31       1.7826      2.00000
     32       1.9048      2.00000
     33       1.9072      2.00000
     34       2.0936      2.00000
     35       2.1483      2.00000
     36       2.2267      2.00000
     37       2.3509      2.00000
     38       2.4409      2.00000
     39       2.4655      2.00000
     40       2.4725      2.00000
     41       2.5418      2.00000
     42       2.6195      2.00000
     43       2.6818      2.00000
     44       2.6881      2.00000
     45       2.8173      2.00000
     46       2.8735      2.00000
     47       2.9567      2.00000
     48       2.9797      2.00000
     49       3.1529      2.00000
     50       3.2332      2.00000
     51       3.3200      2.00000
     52       3.3406      2.00000
     53       3.4433      2.00000
     54       3.5347      2.00000
     55       3.7185      2.00000
     56       3.7530      2.00000
     57       3.9918      2.00000
     58       4.2030      2.00000
     59       5.8158      2.05537
     60       7.2654     -0.00000
     61       7.4245     -0.00000
     62       7.4641     -0.00000
     63       7.7575     -0.00000
     64       8.2387     -0.00000
     65       8.7273     -0.00000
     66       9.2672     -0.00000
     67       9.8844     -0.00000
     68      10.4848     -0.00000
     69      10.6599     -0.00000
     70      11.2214     -0.00000
     71      11.2654     -0.00000
     72      11.4335     -0.00000
     73      12.4111      0.00000
     74      12.9884      0.00000
     75      13.1492      0.00000
     76      13.1902      0.00000
     77      13.4175      0.00000
     78      13.8914      0.00000
     79      13.9072      0.00000
     80      14.5970      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6094      2.00000
      7     -39.5960      2.00000
      8      -1.3932      2.00000
      9      -0.7693      2.00000
     10      -0.4088      2.00000
     11       0.1165      2.00000
     12       0.1918      2.00000
     13       0.4722      2.00000
     14       0.5382      2.00000
     15       0.6263      2.00000
     16       0.6439      2.00000
     17       0.7457      2.00000
     18       0.7602      2.00000
     19       0.9192      2.00000
     20       0.9577      2.00000
     21       0.9919      2.00000
     22       0.9976      2.00000
     23       1.1034      2.00000
     24       1.1681      2.00000
     25       1.1907      2.00000
     26       1.3334      2.00000
     27       1.3555      2.00000
     28       1.5603      2.00000
     29       1.6171      2.00000
     30       1.7309      2.00000
     31       1.7693      2.00000
     32       1.8290      2.00000
     33       1.9648      2.00000
     34       2.0211      2.00000
     35       2.0511      2.00000
     36       2.1509      2.00000
     37       2.2809      2.00000
     38       2.2811      2.00000
     39       2.3629      2.00000
     40       2.5175      2.00000
     41       2.5566      2.00000
     42       2.6461      2.00000
     43       2.7094      2.00000
     44       2.7439      2.00000
     45       2.8009      2.00000
     46       2.8957      2.00000
     47       2.9240      2.00000
     48       3.0139      2.00000
     49       3.1085      2.00000
     50       3.1589      2.00000
     51       3.2230      2.00000
     52       3.3509      2.00000
     53       3.3736      2.00000
     54       3.5675      2.00000
     55       3.7860      2.00000
     56       3.8442      2.00000
     57       3.9896      2.00000
     58       4.2331      2.00000
     59       6.2152     -0.04352
     60       6.5072     -0.00314
     61       7.3902     -0.00000
     62       7.7805     -0.00000
     63       7.8904     -0.00000
     64       8.3543     -0.00000
     65       8.5589     -0.00000
     66       8.8116     -0.00000
     67       8.8385     -0.00000
     68       9.6460     -0.00000
     69      10.2125     -0.00000
     70      10.6335     -0.00000
     71      10.7735     -0.00000
     72      11.1164     -0.00000
     73      11.9499      0.00000
     74      12.3019      0.00000
     75      12.6569      0.00000
     76      13.1711      0.00000
     77      13.6192      0.00000
     78      13.9386      0.00000
     79      14.2771      0.00000
     80      14.6682      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.9060      2.00000
      9      -0.3812      2.00000
     10      -0.0393      2.00000
     11       0.0625      2.00000
     12       0.4444      2.00000
     13       0.4973      2.00000
     14       0.5986      2.00000
     15       0.6958      2.00000
     16       0.7556      2.00000
     17       0.7601      2.00000
     18       0.8273      2.00000
     19       0.8895      2.00000
     20       1.0028      2.00000
     21       1.0386      2.00000
     22       1.1597      2.00000
     23       1.2379      2.00000
     24       1.2913      2.00000
     25       1.3788      2.00000
     26       1.4192      2.00000
     27       1.4946      2.00000
     28       1.6136      2.00000
     29       1.6587      2.00000
     30       1.7182      2.00000
     31       1.7897      2.00000
     32       1.8404      2.00000
     33       1.9267      2.00000
     34       1.9819      2.00000
     35       2.0321      2.00000
     36       2.0748      2.00000
     37       2.2198      2.00000
     38       2.2557      2.00000
     39       2.2906      2.00000
     40       2.4068      2.00000
     41       2.5557      2.00000
     42       2.6256      2.00000
     43       2.6371      2.00000
     44       2.7109      2.00000
     45       2.7415      2.00000
     46       2.8350      2.00000
     47       2.8700      2.00000
     48       2.9070      2.00000
     49       2.9370      2.00000
     50       3.0365      2.00000
     51       3.1367      2.00000
     52       3.3074      2.00000
     53       3.3430      2.00000
     54       3.4897      2.00000
     55       3.5731      2.00000
     56       3.7534      2.00000
     57       4.4176      2.00000
     58       5.2228      2.00000
     59       5.2917      2.00000
     60       5.9565      1.51709
     61       7.0579     -0.00000
     62       7.1883     -0.00000
     63       7.3413     -0.00000
     64       7.4459     -0.00000
     65       8.1658     -0.00000
     66       8.4077     -0.00000
     67       8.6218     -0.00000
     68       9.0585     -0.00000
     69       9.3317     -0.00000
     70       9.8309     -0.00000
     71      10.7680     -0.00000
     72      10.9758     -0.00000
     73      11.2770     -0.00000
     74      11.6046      0.00000
     75      12.5179      0.00000
     76      13.0953      0.00000
     77      13.4169      0.00000
     78      13.6717      0.00000
     79      13.9119      0.00000
     80      14.1264      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6046      2.00000
      7     -39.6011      2.00000
      8      -0.3891      2.00000
      9      -0.0749      2.00000
     10       0.1031      2.00000
     11       0.1589      2.00000
     12       0.4580      2.00000
     13       0.4943      2.00000
     14       0.5530      2.00000
     15       0.6745      2.00000
     16       0.7846      2.00000
     17       0.9116      2.00000
     18       0.9435      2.00000
     19       1.1144      2.00000
     20       1.1688      2.00000
     21       1.2168      2.00000
     22       1.2390      2.00000
     23       1.3311      2.00000
     24       1.4133      2.00000
     25       1.4428      2.00000
     26       1.4879      2.00000
     27       1.5633      2.00000
     28       1.6222      2.00000
     29       1.6631      2.00000
     30       1.7195      2.00000
     31       1.8306      2.00000
     32       1.9145      2.00000
     33       1.9636      2.00000
     34       2.0356      2.00000
     35       2.1085      2.00000
     36       2.1216      2.00000
     37       2.2028      2.00000
     38       2.3005      2.00000
     39       2.3142      2.00000
     40       2.3573      2.00000
     41       2.4698      2.00000
     42       2.5315      2.00000
     43       2.5559      2.00000
     44       2.6286      2.00000
     45       2.6995      2.00000
     46       2.7403      2.00000
     47       2.8169      2.00000
     48       2.8387      2.00000
     49       2.9527      2.00000
     50       3.0744      2.00000
     51       3.1839      2.00000
     52       3.2867      2.00000
     53       3.3434      2.00000
     54       3.4713      2.00000
     55       3.5909      2.00000
     56       3.7902      2.00000
     57       4.0911      2.00000
     58       4.2995      2.00000
     59       5.4719      2.00072
     60       5.8612      1.97999
     61       6.0247      0.96996
     62       6.3389     -0.04717
     63       6.7283     -0.00001
     64       7.1277     -0.00000
     65       7.6080     -0.00000
     66       8.0712     -0.00000
     67       8.3363     -0.00000
     68       8.9244     -0.00000
     69       9.4390     -0.00000
     70      10.2378     -0.00000
     71      10.4207     -0.00000
     72      10.5672     -0.00000
     73      11.3179     -0.00000
     74      11.8297      0.00000
     75      12.1668      0.00000
     76      12.9422      0.00000
     77      13.0176      0.00000
     78      13.6859      0.00000
     79      14.0009      0.00000
     80      14.6436      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4452      2.00000
      9      -0.1480      2.00000
     10       0.0493      2.00000
     11       0.1344      2.00000
     12       0.4984      2.00000
     13       0.5332      2.00000
     14       0.6331      2.00000
     15       0.7159      2.00000
     16       0.8982      2.00000
     17       0.9227      2.00000
     18       1.0363      2.00000
     19       1.0777      2.00000
     20       1.1380      2.00000
     21       1.1824      2.00000
     22       1.2552      2.00000
     23       1.2983      2.00000
     24       1.3932      2.00000
     25       1.4148      2.00000
     26       1.4604      2.00000
     27       1.5084      2.00000
     28       1.6606      2.00000
     29       1.6983      2.00000
     30       1.7438      2.00000
     31       1.7970      2.00000
     32       1.8752      2.00000
     33       1.9154      2.00000
     34       2.0084      2.00000
     35       2.0803      2.00000
     36       2.1875      2.00000
     37       2.2132      2.00000
     38       2.2853      2.00000
     39       2.3522      2.00000
     40       2.3721      2.00000
     41       2.4525      2.00000
     42       2.5065      2.00000
     43       2.5544      2.00000
     44       2.6566      2.00000
     45       2.6917      2.00000
     46       2.7437      2.00000
     47       2.8146      2.00000
     48       2.8850      2.00000
     49       2.9079      2.00000
     50       3.1125      2.00000
     51       3.1671      2.00000
     52       3.2538      2.00000
     53       3.4785      2.00000
     54       3.5663      2.00000
     55       3.6044      2.00000
     56       3.8994      2.00000
     57       4.3441      2.00000
     58       4.8623      2.00000
     59       5.0048      2.00000
     60       5.2095      2.00000
     61       5.6165      2.01482
     62       5.8127      2.05794
     63       6.7221     -0.00001
     64       7.1830     -0.00000
     65       7.6967     -0.00000
     66       7.8811     -0.00000
     67       8.7081     -0.00000
     68       9.4997     -0.00000
     69       9.9577     -0.00000
     70      10.1294     -0.00000
     71      10.4739     -0.00000
     72      10.5921     -0.00000
     73      11.1478     -0.00000
     74      11.8192      0.00000
     75      12.2375      0.00000
     76      12.7475      0.00000
     77      13.5924      0.00000
     78      14.0682      0.00000
     79      14.3231      0.00000
     80      14.4707      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.0789      2.00000
      9      -0.3679      2.00000
     10      -0.1149      2.00000
     11       0.2728      2.00000
     12       0.4388      2.00000
     13       0.5119      2.00000
     14       0.5445      2.00000
     15       0.6822      2.00000
     16       0.7863      2.00000
     17       0.8426      2.00000
     18       0.9199      2.00000
     19       0.9509      2.00000
     20       1.0522      2.00000
     21       1.0846      2.00000
     22       1.1728      2.00000
     23       1.2207      2.00000
     24       1.2701      2.00000
     25       1.3244      2.00000
     26       1.4152      2.00000
     27       1.4558      2.00000
     28       1.5523      2.00000
     29       1.6113      2.00000
     30       1.7728      2.00000
     31       1.8215      2.00000
     32       1.8468      2.00000
     33       1.9674      2.00000
     34       1.9976      2.00000
     35       2.0549      2.00000
     36       2.1075      2.00000
     37       2.1354      2.00000
     38       2.2091      2.00000
     39       2.3320      2.00000
     40       2.4310      2.00000
     41       2.4722      2.00000
     42       2.6069      2.00000
     43       2.6524      2.00000
     44       2.6850      2.00000
     45       2.7896      2.00000
     46       2.8199      2.00000
     47       2.8739      2.00000
     48       2.9261      2.00000
     49       2.9787      2.00000
     50       3.0848      2.00000
     51       3.1316      2.00000
     52       3.2399      2.00000
     53       3.3224      2.00000
     54       3.4528      2.00000
     55       3.6279      2.00000
     56       4.0779      2.00000
     57       4.2794      2.00000
     58       5.1855      2.00000
     59       5.7518      2.06704
     60       5.9285      1.69843
     61       6.1174      0.28098
     62       6.5421     -0.00143
     63       6.7814     -0.00000
     64       7.2728     -0.00000
     65       7.6601     -0.00000
     66       8.3390     -0.00000
     67       9.3847     -0.00000
     68       9.5339     -0.00000
     69       9.9892     -0.00000
     70      10.1788     -0.00000
     71      11.3450     -0.00000
     72      11.5018      0.00000
     73      11.7737      0.00000
     74      11.9575      0.00000
     75      12.2873      0.00000
     76      12.7728      0.00000
     77      13.3602      0.00000
     78      13.6887      0.00000
     79      13.8345      0.00000
     80      14.2114      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5557      2.00000
      9      -0.5523      2.00000
     10      -0.4645      2.00000
     11       0.2098      2.00000
     12       0.2351      2.00000
     13       0.4732      2.00000
     14       0.5248      2.00000
     15       0.5950      2.00000
     16       0.6332      2.00000
     17       0.6733      2.00000
     18       0.7973      2.00000
     19       0.9030      2.00000
     20       0.9482      2.00000
     21       0.9893      2.00000
     22       1.0149      2.00000
     23       1.1210      2.00000
     24       1.1623      2.00000
     25       1.2204      2.00000
     26       1.3882      2.00000
     27       1.4345      2.00000
     28       1.4880      2.00000
     29       1.5983      2.00000
     30       1.6421      2.00000
     31       1.7287      2.00000
     32       1.8719      2.00000
     33       1.8893      2.00000
     34       2.0170      2.00000
     35       2.1079      2.00000
     36       2.2069      2.00000
     37       2.2696      2.00000
     38       2.3465      2.00000
     39       2.3723      2.00000
     40       2.4415      2.00000
     41       2.5882      2.00000
     42       2.6784      2.00000
     43       2.7063      2.00000
     44       2.7384      2.00000
     45       2.8429      2.00000
     46       2.8675      2.00000
     47       2.8952      2.00000
     48       3.0581      2.00000
     49       3.0931      2.00000
     50       3.1697      2.00000
     51       3.2298      2.00000
     52       3.2358      2.00000
     53       3.5338      2.00000
     54       3.6186      2.00000
     55       3.6546      2.00000
     56       3.8517      2.00000
     57       3.9791      2.00000
     58       4.4855      2.00000
     59       5.6778      2.03563
     60       6.3674     -0.03442
     61       6.7091     -0.00001
     62       7.5096     -0.00000
     63       7.9724     -0.00000
     64       8.6863     -0.00000
     65       8.8833     -0.00000
     66       9.2142     -0.00000
     67       9.3773     -0.00000
     68       9.4740     -0.00000
     69       9.7950     -0.00000
     70      10.5238     -0.00000
     71      11.1877     -0.00000
     72      11.5471      0.00000
     73      12.0647      0.00000
     74      12.2489      0.00000
     75      13.0209      0.00000
     76      13.2528      0.00000
     77      13.2971      0.00000
     78      13.8602      0.00000
     79      14.5954      0.00000
     80      14.6821      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9182      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6521      2.00000
      5     -39.6514      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6120      2.00000
      9      -0.8260      2.00000
     10      -0.5694      2.00000
     11       0.0742      2.00000
     12       0.1499      2.00000
     13       0.3617      2.00000
     14       0.3921      2.00000
     15       0.5499      2.00000
     16       0.6419      2.00000
     17       0.7659      2.00000
     18       0.7900      2.00000
     19       0.8717      2.00000
     20       0.8762      2.00000
     21       0.9207      2.00000
     22       1.0173      2.00000
     23       1.0308      2.00000
     24       1.0768      2.00000
     25       1.2548      2.00000
     26       1.3107      2.00000
     27       1.3794      2.00000
     28       1.4802      2.00000
     29       1.6268      2.00000
     30       1.6738      2.00000
     31       1.7617      2.00000
     32       1.8385      2.00000
     33       1.9583      2.00000
     34       2.0158      2.00000
     35       2.1729      2.00000
     36       2.2048      2.00000
     37       2.3317      2.00000
     38       2.4295      2.00000
     39       2.4660      2.00000
     40       2.4722      2.00000
     41       2.5153      2.00000
     42       2.6313      2.00000
     43       2.6393      2.00000
     44       2.6601      2.00000
     45       2.8310      2.00000
     46       2.8415      2.00000
     47       2.9520      2.00000
     48       2.9540      2.00000
     49       2.9845      2.00000
     50       3.1954      2.00000
     51       3.2560      2.00000
     52       3.4592      2.00000
     53       3.5533      2.00000
     54       3.6572      2.00000
     55       3.9687      2.00000
     56       4.0685      2.00000
     57       4.2154      2.00000
     58       4.6005      2.00000
     59       5.8694      1.95739
     60       6.1251      0.23840
     61       6.6490     -0.00008
     62       7.3669     -0.00000
     63       8.0059     -0.00000
     64       8.2540     -0.00000
     65       8.6574     -0.00000
     66       9.1145     -0.00000
     67       9.1704     -0.00000
     68      10.9131     -0.00000
     69      11.4441     -0.00000
     70      11.6359      0.00000
     71      11.9473      0.00000
     72      12.3456      0.00000
     73      12.6312      0.00000
     74      13.1719      0.00000
     75      13.2126      0.00000
     76      13.3651      0.00000
     77      13.4031      0.00000
     78      13.8340      0.00000
     79      13.8584      0.00000
     80      14.0929      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6520      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.3564      2.00000
      9      -0.6626      2.00000
     10      -0.5400      2.00000
     11       0.0550      2.00000
     12       0.1880      2.00000
     13       0.4679      2.00000
     14       0.5577      2.00000
     15       0.6238      2.00000
     16       0.6371      2.00000
     17       0.7498      2.00000
     18       0.7919      2.00000
     19       0.9133      2.00000
     20       0.9251      2.00000
     21       0.9525      2.00000
     22       0.9838      2.00000
     23       1.0995      2.00000
     24       1.1266      2.00000
     25       1.1801      2.00000
     26       1.3722      2.00000
     27       1.4329      2.00000
     28       1.6005      2.00000
     29       1.6164      2.00000
     30       1.6810      2.00000
     31       1.7241      2.00000
     32       1.7751      2.00000
     33       1.9367      2.00000
     34       2.0218      2.00000
     35       2.0798      2.00000
     36       2.1926      2.00000
     37       2.2146      2.00000
     38       2.2832      2.00000
     39       2.4589      2.00000
     40       2.4823      2.00000
     41       2.5396      2.00000
     42       2.6427      2.00000
     43       2.6859      2.00000
     44       2.7303      2.00000
     45       2.7519      2.00000
     46       2.8479      2.00000
     47       2.8902      2.00000
     48       2.9889      2.00000
     49       3.0688      2.00000
     50       3.1432      2.00000
     51       3.1662      2.00000
     52       3.3197      2.00000
     53       3.4424      2.00000
     54       3.5243      2.00000
     55       3.7677      2.00000
     56       3.8986      2.00000
     57       5.0241      2.00000
     58       5.1328      2.00000
     59       5.6135      2.01410
     60       6.0411      0.83233
     61       6.8609     -0.00000
     62       7.3583     -0.00000
     63       7.5105     -0.00000
     64       7.7029     -0.00000
     65       8.1194     -0.00000
     66       8.2645     -0.00000
     67       9.9530     -0.00000
     68      10.3788     -0.00000
     69      10.5488     -0.00000
     70      11.0056     -0.00000
     71      11.1679     -0.00000
     72      11.6648      0.00000
     73      12.3348      0.00000
     74      12.4658      0.00000
     75      12.9845      0.00000
     76      13.1748      0.00000
     77      13.6608      0.00000
     78      13.7997      0.00000
     79      14.0938      0.00000
     80      14.3701      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.8980      2.00000
      9      -0.3639      2.00000
     10      -0.0490      2.00000
     11       0.0293      2.00000
     12       0.4716      2.00000
     13       0.4981      2.00000
     14       0.5826      2.00000
     15       0.6993      2.00000
     16       0.7365      2.00000
     17       0.7740      2.00000
     18       0.8305      2.00000
     19       0.8812      2.00000
     20       0.9999      2.00000
     21       1.0276      2.00000
     22       1.1383      2.00000
     23       1.2436      2.00000
     24       1.3397      2.00000
     25       1.3890      2.00000
     26       1.4629      2.00000
     27       1.5169      2.00000
     28       1.5581      2.00000
     29       1.5956      2.00000
     30       1.7533      2.00000
     31       1.8035      2.00000
     32       1.8737      2.00000
     33       1.9137      2.00000
     34       1.9688      2.00000
     35       2.0218      2.00000
     36       2.1306      2.00000
     37       2.1901      2.00000
     38       2.2314      2.00000
     39       2.2585      2.00000
     40       2.3287      2.00000
     41       2.5590      2.00000
     42       2.6130      2.00000
     43       2.6584      2.00000
     44       2.7260      2.00000
     45       2.7365      2.00000
     46       2.8506      2.00000
     47       2.8772      2.00000
     48       2.9161      2.00000
     49       2.9676      2.00000
     50       3.0498      2.00000
     51       3.1388      2.00000
     52       3.2778      2.00000
     53       3.3542      2.00000
     54       3.4170      2.00000
     55       3.5051      2.00000
     56       3.7179      2.00000
     57       4.7017      2.00000
     58       5.3887      2.00007
     59       5.6362      2.02022
     60       5.8394      2.02578
     61       6.6993     -0.00002
     62       6.9432     -0.00000
     63       7.1077     -0.00000
     64       7.2444     -0.00000
     65       8.4974     -0.00000
     66       8.5866     -0.00000
     67       8.7058     -0.00000
     68       8.9058     -0.00000
     69       9.2523     -0.00000
     70       9.6752     -0.00000
     71      10.8977     -0.00000
     72      11.0862     -0.00000
     73      11.2707     -0.00000
     74      11.7999      0.00000
     75      12.7562      0.00000
     76      13.0098      0.00000
     77      13.5253      0.00000
     78      13.7584      0.00000
     79      13.9974      0.00000
     80      14.3927      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6011      2.00000
      8      -0.3660      2.00000
      9      -0.1210      2.00000
     10       0.1010      2.00000
     11       0.1747      2.00000
     12       0.4652      2.00000
     13       0.5316      2.00000
     14       0.5914      2.00000
     15       0.6396      2.00000
     16       0.7473      2.00000
     17       0.9040      2.00000
     18       0.9514      2.00000
     19       1.0668      2.00000
     20       1.1537      2.00000
     21       1.1934      2.00000
     22       1.2443      2.00000
     23       1.3194      2.00000
     24       1.3964      2.00000
     25       1.4866      2.00000
     26       1.5135      2.00000
     27       1.5419      2.00000
     28       1.6254      2.00000
     29       1.7206      2.00000
     30       1.7411      2.00000
     31       1.8392      2.00000
     32       1.9088      2.00000
     33       1.9729      2.00000
     34       2.0439      2.00000
     35       2.1129      2.00000
     36       2.1767      2.00000
     37       2.2583      2.00000
     38       2.3088      2.00000
     39       2.3213      2.00000
     40       2.3827      2.00000
     41       2.4328      2.00000
     42       2.5206      2.00000
     43       2.5650      2.00000
     44       2.5849      2.00000
     45       2.6390      2.00000
     46       2.7059      2.00000
     47       2.7618      2.00000
     48       2.8094      2.00000
     49       2.9591      2.00000
     50       3.0486      2.00000
     51       3.1431      2.00000
     52       3.1843      2.00000
     53       3.3350      2.00000
     54       3.5372      2.00000
     55       3.6022      2.00000
     56       3.9593      2.00000
     57       4.1950      2.00000
     58       4.4177      2.00000
     59       5.2797      2.00000
     60       5.8359      2.03146
     61       5.9586      1.50152
     62       6.2599     -0.07060
     63       6.4699     -0.00674
     64       6.9980     -0.00000
     65       7.8666     -0.00000
     66       8.0369     -0.00000
     67       8.8290     -0.00000
     68       9.1490     -0.00000
     69       9.7289     -0.00000
     70       9.8582     -0.00000
     71      10.3746     -0.00000
     72      10.5816     -0.00000
     73      10.9640     -0.00000
     74      11.8544      0.00000
     75      12.4583      0.00000
     76      12.6230      0.00000
     77      13.3287      0.00000
     78      13.7211      0.00000
     79      14.3598      0.00000
     80      14.4513      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9153      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4377      2.00000
      9      -0.1369      2.00000
     10      -0.0166      2.00000
     11       0.1323      2.00000
     12       0.5474      2.00000
     13       0.5922      2.00000
     14       0.6479      2.00000
     15       0.7810      2.00000
     16       0.8055      2.00000
     17       0.9256      2.00000
     18       0.9682      2.00000
     19       1.0509      2.00000
     20       1.1120      2.00000
     21       1.1528      2.00000
     22       1.2418      2.00000
     23       1.3401      2.00000
     24       1.3884      2.00000
     25       1.4102      2.00000
     26       1.4908      2.00000
     27       1.5924      2.00000
     28       1.6710      2.00000
     29       1.7221      2.00000
     30       1.7706      2.00000
     31       1.8243      2.00000
     32       1.8892      2.00000
     33       1.9009      2.00000
     34       2.0060      2.00000
     35       2.1268      2.00000
     36       2.1824      2.00000
     37       2.2216      2.00000
     38       2.2466      2.00000
     39       2.3084      2.00000
     40       2.3974      2.00000
     41       2.4567      2.00000
     42       2.4939      2.00000
     43       2.5558      2.00000
     44       2.6231      2.00000
     45       2.6470      2.00000
     46       2.7310      2.00000
     47       2.7749      2.00000
     48       2.8262      2.00000
     49       2.8795      2.00000
     50       3.1374      2.00000
     51       3.1462      2.00000
     52       3.3474      2.00000
     53       3.4741      2.00000
     54       3.5788      2.00000
     55       3.6110      2.00000
     56       3.7787      2.00000
     57       4.3653      2.00000
     58       4.5641      2.00000
     59       5.1280      2.00000
     60       5.6229      2.01643
     61       5.7613      2.06936
     62       6.4086     -0.01948
     63       6.4999     -0.00367
     64       6.8365     -0.00000
     65       6.9996     -0.00000
     66       7.3797     -0.00000
     67       9.1077     -0.00000
     68       9.3495     -0.00000
     69      10.2489     -0.00000
     70      10.5577     -0.00000
     71      10.9182     -0.00000
     72      11.4186     -0.00000
     73      11.5701      0.00000
     74      11.8376      0.00000
     75      12.1819      0.00000
     76      12.6619      0.00000
     77      12.9352      0.00000
     78      13.1020      0.00000
     79      13.9038      0.00000
     80      14.2385      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.1070      2.00000
      9      -0.3069      2.00000
     10      -0.1690      2.00000
     11       0.2354      2.00000
     12       0.4827      2.00000
     13       0.5483      2.00000
     14       0.5772      2.00000
     15       0.6567      2.00000
     16       0.7737      2.00000
     17       0.8587      2.00000
     18       0.9313      2.00000
     19       1.0202      2.00000
     20       1.0926      2.00000
     21       1.1236      2.00000
     22       1.1694      2.00000
     23       1.1936      2.00000
     24       1.2244      2.00000
     25       1.2560      2.00000
     26       1.3577      2.00000
     27       1.4861      2.00000
     28       1.5525      2.00000
     29       1.6403      2.00000
     30       1.6874      2.00000
     31       1.7945      2.00000
     32       1.8413      2.00000
     33       1.9709      2.00000
     34       2.0398      2.00000
     35       2.1032      2.00000
     36       2.1651      2.00000
     37       2.2223      2.00000
     38       2.2441      2.00000
     39       2.3053      2.00000
     40       2.3399      2.00000
     41       2.5289      2.00000
     42       2.6217      2.00000
     43       2.6468      2.00000
     44       2.7227      2.00000
     45       2.7373      2.00000
     46       2.7816      2.00000
     47       2.8212      2.00000
     48       2.9424      2.00000
     49       3.0001      2.00000
     50       3.0675      2.00000
     51       3.1411      2.00000
     52       3.2073      2.00000
     53       3.4286      2.00000
     54       3.4676      2.00000
     55       3.5699      2.00000
     56       3.7212      2.00000
     57       4.5340      2.00000
     58       4.7908      2.00000
     59       5.4113      2.00014
     60       5.9597      1.49374
     61       6.4812     -0.00540
     62       6.8150     -0.00000
     63       7.0941     -0.00000
     64       7.3919     -0.00000
     65       8.0532     -0.00000
     66       8.6699     -0.00000
     67       8.7641     -0.00000
     68       9.3422     -0.00000
     69       9.8376     -0.00000
     70       9.9233     -0.00000
     71      10.6651     -0.00000
     72      11.1767     -0.00000
     73      11.8822      0.00000
     74      12.1944      0.00000
     75      12.6577      0.00000
     76      13.2256      0.00000
     77      13.9624      0.00000
     78      14.0416      0.00000
     79      14.3719      0.00000
     80      14.4136      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6515      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.5476      2.00000
      9      -0.6238      2.00000
     10      -0.3809      2.00000
     11       0.1899      2.00000
     12       0.2328      2.00000
     13       0.4370      2.00000
     14       0.5252      2.00000
     15       0.5870      2.00000
     16       0.6321      2.00000
     17       0.6928      2.00000
     18       0.8084      2.00000
     19       0.9168      2.00000
     20       0.9453      2.00000
     21       0.9846      2.00000
     22       1.0479      2.00000
     23       1.1335      2.00000
     24       1.1613      2.00000
     25       1.2514      2.00000
     26       1.2727      2.00000
     27       1.3861      2.00000
     28       1.5934      2.00000
     29       1.6448      2.00000
     30       1.7093      2.00000
     31       1.7606      2.00000
     32       1.8225      2.00000
     33       1.8701      2.00000
     34       1.9933      2.00000
     35       2.0357      2.00000
     36       2.1228      2.00000
     37       2.3108      2.00000
     38       2.3472      2.00000
     39       2.4468      2.00000
     40       2.5168      2.00000
     41       2.5283      2.00000
     42       2.6081      2.00000
     43       2.6761      2.00000
     44       2.7013      2.00000
     45       2.7961      2.00000
     46       2.8464      2.00000
     47       2.9052      2.00000
     48       3.0522      2.00000
     49       3.0957      2.00000
     50       3.2131      2.00000
     51       3.2328      2.00000
     52       3.3011      2.00000
     53       3.4045      2.00000
     54       3.5916      2.00000
     55       3.7989      2.00000
     56       3.8181      2.00000
     57       3.9792      2.00000
     58       4.7540      2.00000
     59       5.6595      2.02822
     60       6.5614     -0.00090
     61       6.8486     -0.00000
     62       7.4495     -0.00000
     63       7.8326     -0.00000
     64       7.8886     -0.00000
     65       8.4233     -0.00000
     66       9.0538     -0.00000
     67       9.2266     -0.00000
     68       9.9907     -0.00000
     69      10.4766     -0.00000
     70      10.7263     -0.00000
     71      11.1417     -0.00000
     72      11.4815      0.00000
     73      12.1380      0.00000
     74      12.6628      0.00000
     75      13.0038      0.00000
     76      13.3590      0.00000
     77      13.4990      0.00000
     78      13.9074      0.00000
     79      14.3214      0.00000
     80      14.5415      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9181      2.00000
      2     -39.9111      2.00000
      3     -39.7843      2.00000
      4     -39.6521      2.00000
      5     -39.6514      2.00000
      6     -39.6100      2.00000
      7     -39.5952      2.00000
      8      -1.6063      2.00000
      9      -0.7800      2.00000
     10      -0.6556      2.00000
     11       0.0681      2.00000
     12       0.1925      2.00000
     13       0.3579      2.00000
     14       0.3897      2.00000
     15       0.5671      2.00000
     16       0.6153      2.00000
     17       0.7292      2.00000
     18       0.7867      2.00000
     19       0.8482      2.00000
     20       0.9094      2.00000
     21       0.9270      2.00000
     22       1.0670      2.00000
     23       1.1151      2.00000
     24       1.1530      2.00000
     25       1.2466      2.00000
     26       1.2615      2.00000
     27       1.2720      2.00000
     28       1.4715      2.00000
     29       1.6055      2.00000
     30       1.6227      2.00000
     31       1.7502      2.00000
     32       1.7917      2.00000
     33       1.9146      2.00000
     34       2.1283      2.00000
     35       2.1601      2.00000
     36       2.3479      2.00000
     37       2.3572      2.00000
     38       2.3950      2.00000
     39       2.4416      2.00000
     40       2.4716      2.00000
     41       2.5389      2.00000
     42       2.6352      2.00000
     43       2.6679      2.00000
     44       2.7316      2.00000
     45       2.8022      2.00000
     46       2.8491      2.00000
     47       2.8994      2.00000
     48       2.9451      2.00000
     49       3.0422      2.00000
     50       3.1806      2.00000
     51       3.2289      2.00000
     52       3.3979      2.00000
     53       3.5936      2.00000
     54       3.6454      2.00000
     55       3.9603      2.00000
     56       4.0604      2.00000
     57       4.2346      2.00000
     58       4.4638      2.00000
     59       5.6829      2.03786
     60       6.2405     -0.06493
     61       6.6952     -0.00002
     62       7.5164     -0.00000
     63       7.8894     -0.00000
     64       8.1387     -0.00000
     65       8.8104     -0.00000
     66       9.3808     -0.00000
     67       9.5944     -0.00000
     68      10.7429     -0.00000
     69      10.8981     -0.00000
     70      11.4766     -0.00000
     71      11.9830      0.00000
     72      12.0826      0.00000
     73      12.5167      0.00000
     74      12.8958      0.00000
     75      13.0122      0.00000
     76      13.2941      0.00000
     77      13.4452      0.00000
     78      13.9038      0.00000
     79      14.0591      0.00000
     80      14.3409      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9177      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6519      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.3885      2.00000
      9      -0.7286      2.00000
     10      -0.4698      2.00000
     11       0.1204      2.00000
     12       0.1882      2.00000
     13       0.4802      2.00000
     14       0.5501      2.00000
     15       0.6313      2.00000
     16       0.6376      2.00000
     17       0.7497      2.00000
     18       0.7702      2.00000
     19       0.9310      2.00000
     20       0.9364      2.00000
     21       0.9542      2.00000
     22       0.9836      2.00000
     23       1.1213      2.00000
     24       1.1640      2.00000
     25       1.1844      2.00000
     26       1.3713      2.00000
     27       1.3827      2.00000
     28       1.5181      2.00000
     29       1.6190      2.00000
     30       1.6337      2.00000
     31       1.7964      2.00000
     32       1.8453      2.00000
     33       1.9645      2.00000
     34       1.9910      2.00000
     35       2.1674      2.00000
     36       2.2049      2.00000
     37       2.2238      2.00000
     38       2.2598      2.00000
     39       2.3094      2.00000
     40       2.5385      2.00000
     41       2.5788      2.00000
     42       2.6259      2.00000
     43       2.6984      2.00000
     44       2.7456      2.00000
     45       2.8173      2.00000
     46       2.9000      2.00000
     47       2.9604      2.00000
     48       3.0061      2.00000
     49       3.1155      2.00000
     50       3.1595      2.00000
     51       3.2003      2.00000
     52       3.3136      2.00000
     53       3.4039      2.00000
     54       3.5618      2.00000
     55       3.7480      2.00000
     56       3.9028      2.00000
     57       4.0363      2.00000
     58       4.2912      2.00000
     59       6.2430     -0.06612
     60       6.6643     -0.00005
     61       7.1188     -0.00000
     62       7.3139     -0.00000
     63       8.0059     -0.00000
     64       8.2288     -0.00000
     65       8.3887     -0.00000
     66       8.7935     -0.00000
     67       9.5644     -0.00000
     68       9.8261     -0.00000
     69      10.1398     -0.00000
     70      10.3474     -0.00000
     71      10.8683     -0.00000
     72      11.3411     -0.00000
     73      12.0533      0.00000
     74      12.2109      0.00000
     75      12.6335      0.00000
     76      13.1425      0.00000
     77      13.5576      0.00000
     78      13.7540      0.00000
     79      14.3207      0.00000
     80      14.6259      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6516      2.00000
      5     -39.6515      2.00000
      6     -39.6074      2.00000
      7     -39.5981      2.00000
      8      -0.9124      2.00000
      9      -0.4505      2.00000
     10       0.0463      2.00000
     11       0.0965      2.00000
     12       0.3977      2.00000
     13       0.4990      2.00000
     14       0.6483      2.00000
     15       0.6729      2.00000
     16       0.7397      2.00000
     17       0.7805      2.00000
     18       0.8204      2.00000
     19       0.9071      2.00000
     20       1.0215      2.00000
     21       1.0467      2.00000
     22       1.1262      2.00000
     23       1.2329      2.00000
     24       1.2751      2.00000
     25       1.2969      2.00000
     26       1.3817      2.00000
     27       1.4657      2.00000
     28       1.6749      2.00000
     29       1.7002      2.00000
     30       1.7883      2.00000
     31       1.8261      2.00000
     32       1.8550      2.00000
     33       1.9126      2.00000
     34       1.9739      2.00000
     35       2.0008      2.00000
     36       2.0311      2.00000
     37       2.2394      2.00000
     38       2.2983      2.00000
     39       2.3526      2.00000
     40       2.4847      2.00000
     41       2.5217      2.00000
     42       2.5722      2.00000
     43       2.6912      2.00000
     44       2.7098      2.00000
     45       2.7446      2.00000
     46       2.7649      2.00000
     47       2.8582      2.00000
     48       2.8829      2.00000
     49       2.9159      2.00000
     50       3.0765      2.00000
     51       3.1688      2.00000
     52       3.3341      2.00000
     53       3.3490      2.00000
     54       3.5879      2.00000
     55       3.7540      2.00000
     56       3.8255      2.00000
     57       4.0266      2.00000
     58       4.6318      2.00000
     59       4.8235      2.00000
     60       6.5764     -0.00062
     61       7.0581     -0.00000
     62       7.5108     -0.00000
     63       7.6272     -0.00000
     64       7.8471     -0.00000
     65       8.0331     -0.00000
     66       8.6894     -0.00000
     67       8.9118     -0.00000
     68       9.1887     -0.00000
     69       9.5835     -0.00000
     70       9.6058     -0.00000
     71       9.8056     -0.00000
     72      10.0894     -0.00000
     73      11.4912      0.00000
     74      11.8030      0.00000
     75      11.8829      0.00000
     76      12.9982      0.00000
     77      13.3837      0.00000
     78      13.9832      0.00000
     79      14.2278      0.00000
     80      14.5833      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9137      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6011      2.00000
      8      -0.3622      2.00000
      9      -0.1203      2.00000
     10       0.1051      2.00000
     11       0.1543      2.00000
     12       0.4195      2.00000
     13       0.5369      2.00000
     14       0.6118      2.00000
     15       0.6940      2.00000
     16       0.7712      2.00000
     17       0.8953      2.00000
     18       0.9380      2.00000
     19       1.0686      2.00000
     20       1.1206      2.00000
     21       1.1844      2.00000
     22       1.2135      2.00000
     23       1.3448      2.00000
     24       1.3941      2.00000
     25       1.4482      2.00000
     26       1.5087      2.00000
     27       1.6588      2.00000
     28       1.7015      2.00000
     29       1.7214      2.00000
     30       1.7402      2.00000
     31       1.8364      2.00000
     32       1.8748      2.00000
     33       1.9362      2.00000
     34       2.0107      2.00000
     35       2.1241      2.00000
     36       2.1642      2.00000
     37       2.2546      2.00000
     38       2.2800      2.00000
     39       2.3497      2.00000
     40       2.3975      2.00000
     41       2.4384      2.00000
     42       2.5291      2.00000
     43       2.5721      2.00000
     44       2.5971      2.00000
     45       2.6444      2.00000
     46       2.6809      2.00000
     47       2.7314      2.00000
     48       2.7946      2.00000
     49       2.8784      2.00000
     50       3.0780      2.00000
     51       3.1283      2.00000
     52       3.1810      2.00000
     53       3.2266      2.00000
     54       3.4914      2.00000
     55       3.6010      2.00000
     56       3.9613      2.00000
     57       4.6273      2.00000
     58       4.7030      2.00000
     59       5.1217      2.00000
     60       5.6500      2.02475
     61       5.7795      2.07083
     62       6.0887      0.46276
     63       6.3856     -0.02720
     64       6.9338     -0.00000
     65       7.6611     -0.00000
     66       8.4573     -0.00000
     67       9.0051     -0.00000
     68       9.3598     -0.00000
     69       9.4784     -0.00000
     70       9.8199     -0.00000
     71      10.6692     -0.00000
     72      11.0250     -0.00000
     73      11.3788     -0.00000
     74      11.7099      0.00000
     75      12.0822      0.00000
     76      12.4197      0.00000
     77      12.7615      0.00000
     78      13.6238      0.00000
     79      13.9658      0.00000
     80      14.1659      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9152      2.00000
      2     -39.9136      2.00000
      3     -39.7836      2.00000
      4     -39.6515      2.00000
      5     -39.6514      2.00000
      6     -39.6045      2.00000
      7     -39.6012      2.00000
      8      -0.4264      2.00000
      9      -0.1853      2.00000
     10       0.0392      2.00000
     11       0.1394      2.00000
     12       0.5287      2.00000
     13       0.5891      2.00000
     14       0.6795      2.00000
     15       0.7401      2.00000
     16       0.7977      2.00000
     17       0.8775      2.00000
     18       0.9544      2.00000
     19       1.0931      2.00000
     20       1.1105      2.00000
     21       1.2002      2.00000
     22       1.2746      2.00000
     23       1.2966      2.00000
     24       1.3659      2.00000
     25       1.4139      2.00000
     26       1.4670      2.00000
     27       1.5528      2.00000
     28       1.6695      2.00000
     29       1.7438      2.00000
     30       1.7754      2.00000
     31       1.8327      2.00000
     32       1.8493      2.00000
     33       1.9615      2.00000
     34       2.0620      2.00000
     35       2.0952      2.00000
     36       2.1335      2.00000
     37       2.2437      2.00000
     38       2.2802      2.00000
     39       2.2895      2.00000
     40       2.4397      2.00000
     41       2.4771      2.00000
     42       2.4800      2.00000
     43       2.5562      2.00000
     44       2.6265      2.00000
     45       2.6519      2.00000
     46       2.7057      2.00000
     47       2.7942      2.00000
     48       2.8048      2.00000
     49       2.8830      2.00000
     50       3.0932      2.00000
     51       3.1698      2.00000
     52       3.2527      2.00000
     53       3.4853      2.00000
     54       3.5653      2.00000
     55       3.6555      2.00000
     56       4.0643      2.00000
     57       4.5137      2.00000
     58       4.5654      2.00000
     59       4.8308      2.00000
     60       5.1707      2.00000
     61       5.6599      2.02836
     62       6.1404      0.16336
     63       6.4029     -0.02125
     64       7.5691     -0.00000
     65       7.7375     -0.00000
     66       8.0309     -0.00000
     67       8.4214     -0.00000
     68       8.9599     -0.00000
     69       9.6358     -0.00000
     70      10.2622     -0.00000
     71      10.4040     -0.00000
     72      11.2734     -0.00000
     73      11.6944      0.00000
     74      12.2901      0.00000
     75      12.4713      0.00000
     76      12.6300      0.00000
     77      13.3682      0.00000
     78      13.6167      0.00000
     79      14.1774      0.00000
     80      14.3139      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9167      2.00000
      2     -39.9123      2.00000
      3     -39.7839      2.00000
      4     -39.6517      2.00000
      5     -39.6514      2.00000
      6     -39.6074      2.00000
      7     -39.5982      2.00000
      8      -1.0469      2.00000
      9      -0.4622      2.00000
     10      -0.0787      2.00000
     11       0.3283      2.00000
     12       0.4435      2.00000
     13       0.5148      2.00000
     14       0.5681      2.00000
     15       0.6450      2.00000
     16       0.7489      2.00000
     17       0.8203      2.00000
     18       0.9217      2.00000
     19       0.9920      2.00000
     20       1.0233      2.00000
     21       1.0976      2.00000
     22       1.1859      2.00000
     23       1.2121      2.00000
     24       1.3152      2.00000
     25       1.3405      2.00000
     26       1.3616      2.00000
     27       1.4406      2.00000
     28       1.5066      2.00000
     29       1.6053      2.00000
     30       1.7688      2.00000
     31       1.8430      2.00000
     32       1.8636      2.00000
     33       1.9314      2.00000
     34       1.9891      2.00000
     35       2.0431      2.00000
     36       2.1228      2.00000
     37       2.1952      2.00000
     38       2.2615      2.00000
     39       2.3315      2.00000
     40       2.4518      2.00000
     41       2.4952      2.00000
     42       2.5109      2.00000
     43       2.6521      2.00000
     44       2.6840      2.00000
     45       2.7645      2.00000
     46       2.8038      2.00000
     47       2.8529      2.00000
     48       2.9292      2.00000
     49       3.0252      2.00000
     50       3.0851      2.00000
     51       3.1516      2.00000
     52       3.2226      2.00000
     53       3.3267      2.00000
     54       3.4894      2.00000
     55       3.6538      2.00000
     56       3.8530      2.00000
     57       4.7600      2.00000
     58       5.2149      2.00000
     59       5.3430      2.00002
     60       5.6018      2.01154
     61       6.3453     -0.04424
     62       6.5440     -0.00137
     63       7.2887     -0.00000
     64       7.3909     -0.00000
     65       7.6686     -0.00000
     66       8.0610     -0.00000
     67       8.8583     -0.00000
     68       9.6551     -0.00000
     69       9.9848     -0.00000
     70      10.5014     -0.00000
     71      10.6854     -0.00000
     72      11.0126     -0.00000
     73      11.3091     -0.00000
     74      12.4696      0.00000
     75      13.0266      0.00000
     76      13.3013      0.00000
     77      13.5975      0.00000
     78      14.1310      0.00000
     79      14.2287      0.00000
     80      14.8651      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9178      2.00000
      2     -39.9114      2.00000
      3     -39.7842      2.00000
      4     -39.6520      2.00000
      5     -39.6514      2.00000
      6     -39.6093      2.00000
      7     -39.5960      2.00000
      8      -1.4860      2.00000
      9      -0.7332      2.00000
     10      -0.3574      2.00000
     11       0.1622      2.00000
     12       0.2197      2.00000
     13       0.4643      2.00000
     14       0.5322      2.00000
     15       0.6092      2.00000
     16       0.6329      2.00000
     17       0.6649      2.00000
     18       0.8240      2.00000
     19       0.8803      2.00000
     20       0.9384      2.00000
     21       0.9786      2.00000
     22       0.9963      2.00000
     23       1.1453      2.00000
     24       1.1822      2.00000
     25       1.2485      2.00000
     26       1.3238      2.00000
     27       1.4374      2.00000
     28       1.5485      2.00000
     29       1.5974      2.00000
     30       1.6178      2.00000
     31       1.6923      2.00000
     32       1.8966      2.00000
     33       1.9662      2.00000
     34       2.0197      2.00000
     35       2.0939      2.00000
     36       2.1965      2.00000
     37       2.2592      2.00000
     38       2.3354      2.00000
     39       2.3558      2.00000
     40       2.4562      2.00000
     41       2.4745      2.00000
     42       2.6343      2.00000
     43       2.6761      2.00000
     44       2.7553      2.00000
     45       2.7801      2.00000
     46       2.8308      2.00000
     47       2.9672      2.00000
     48       2.9887      2.00000
     49       3.1189      2.00000
     50       3.1556      2.00000
     51       3.2001      2.00000
     52       3.3074      2.00000
     53       3.3824      2.00000
     54       3.6157      2.00000
     55       3.7837      2.00000
     56       3.8329      2.00000
     57       4.6207      2.00000
     58       5.1337      2.00000
     59       5.6820      2.03744
     60       6.1391      0.16922
     61       6.4460     -0.01048
     62       6.9221     -0.00000
     63       7.2633     -0.00000
     64       7.9437     -0.00000
     65       8.8997     -0.00000
     66       8.9883     -0.00000
     67       9.2271     -0.00000
     68       9.9837     -0.00000
     69      10.0564     -0.00000
     70      11.7077      0.00000
     71      11.9155      0.00000
     72      12.1233      0.00000
     73      12.2413      0.00000
     74      12.4615      0.00000
     75      12.8985      0.00000
     76      13.2996      0.00000
     77      13.5701      0.00000
     78      13.8162      0.00000
     79      13.9613      0.00000
     80      14.4638      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.166  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.167  -0.001  -0.006  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001   0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.023   0.010   0.030   0.011   0.006  -1.170  -0.014  -0.025  -0.041  -0.013   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.074  -0.271   0.019  -0.181  -0.014  -1.060   0.225  -0.010   0.144  -0.068   0.012  -0.000   0.171   0.008   0.000
  0.030  -0.271   2.655   0.008  -0.314  -0.025   0.225  -0.698  -0.018   0.231   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.011   0.019   0.008   2.944   0.016  -0.041  -0.010  -0.018  -1.108  -0.007  -0.020   0.004   0.011   0.004  -0.020  -0.000
  0.006  -0.181  -0.314   0.016   3.080  -0.013   0.144   0.231  -0.007  -1.017  -0.141   0.068   0.046  -0.009   0.020   0.008
 -1.170  -0.014  -0.025  -0.041  -0.013   1.224   0.017   0.021   0.068   0.019  -0.016   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.060   0.225  -0.010   0.144   0.017   0.979  -0.181   0.003  -0.108   0.062  -0.015  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.698  -0.018   0.231   0.021  -0.181   0.679   0.026  -0.160  -0.092   0.047   0.084   0.025   0.002  -0.002
 -0.041  -0.010  -0.018  -1.108  -0.007   0.068   0.003   0.026   1.168   0.001   0.019  -0.006  -0.009  -0.003   0.012   0.000
 -0.013   0.144   0.231  -0.007  -1.017   0.019  -0.108  -0.160   0.001   0.909   0.131  -0.073  -0.049   0.009  -0.016  -0.000
  0.018  -0.068   0.084  -0.020  -0.141  -0.016   0.062  -0.092   0.019   0.131   2.092  -0.311  -0.041   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.015   0.047  -0.006  -0.073  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012  -0.000  -0.112   0.011   0.046   0.012  -0.008   0.084  -0.009  -0.049  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.171  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.003   0.009   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.020   0.020  -0.290  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.004  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.72: real time    1.73
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.29203   469.29203   469.29203
  Ewald   -2471.57789 -3173.55624 -2711.25068   -21.87031   -22.83371    12.25323
  Hartree   848.19050   345.80371   677.11978   -14.66839    -2.09662     7.70923
  E(xc)    -540.91681  -541.59296  -541.07151    -0.02587    -0.13438     0.01535
  Local    -594.45932   607.57795  -183.98447    36.08275    23.74668   -19.49050
  n-local  -102.84414   -99.62850  -101.56563     0.30101     0.73065    -0.26446
  augment   723.81202   723.29159   723.35620     0.02430     0.11982    -0.05016
  Kinetic  1668.53977  1668.82671  1668.13609     0.16461     0.49240    -0.16522
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.03615     0.01430     0.03182     0.00809     0.02484     0.00746
  in kB       0.22502     0.08900     0.19801     0.05033     0.15462     0.04645
  external pressure =        0.17 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.42
      direct lattice vectors                 reciprocal lattice vectors
     4.098747838 -0.101778547  0.141788963     0.243682740  0.100394412  0.080569687
    -3.909867020  8.754218334  0.917125443     0.002769817  0.115193283  0.002619556
    -2.321481145 -0.106876900  7.154486407    -0.005184410 -0.016756131  0.137839894

  length of vectors
     4.102462287  9.631433841  7.522457918     0.275593524  0.115256351  0.138951367


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.364E+01 -.158E+03 0.252E+02   0.381E+01 0.161E+03 -.255E+02   -.166E+00 -.282E+01 0.299E+00   0.145E-04 0.386E-03 0.367E-03
   0.365E+01 0.158E+03 -.252E+02   -.381E+01 -.161E+03 0.255E+02   0.167E+00 0.282E+01 -.299E+00   -.115E-04 -.384E-03 -.364E-03
   0.321E+01 0.145E+03 0.730E+01   -.330E+01 -.147E+03 -.712E+01   0.915E-01 0.128E+01 -.176E+00   -.766E-04 -.136E-03 -.316E-03
   -.102E+00 -.688E+02 -.420E+02   0.108E+00 0.685E+02 0.429E+02   -.640E-02 0.332E+00 -.850E+00   0.932E-05 -.641E-04 0.762E-03
   0.627E+01 0.975E+02 -.971E+02   -.634E+01 -.988E+02 0.985E+02   0.628E-01 0.126E+01 -.140E+01   -.446E-04 0.357E-04 -.441E-03
   0.192E-02 -.108E-02 -.449E-02   -.186E-02 0.926E-03 0.463E-02   -.614E-04 0.146E-03 -.110E-03   -.811E-05 0.112E-04 0.176E-05
   -.626E+01 -.976E+02 0.971E+02   0.632E+01 0.988E+02 -.985E+02   -.632E-01 -.126E+01 0.140E+01   0.615E-04 -.402E-04 0.459E-03
   -.321E+01 -.145E+03 -.730E+01   0.330E+01 0.147E+03 0.712E+01   -.917E-01 -.128E+01 0.176E+00   0.839E-04 0.154E-03 0.304E-03
   0.793E-01 0.688E+02 0.420E+02   -.857E-01 -.685E+02 -.428E+02   0.727E-02 -.332E+00 0.850E+00   -.188E-04 0.440E-04 -.773E-03
   0.764E-02 0.219E-03 -.236E-03   -.743E-02 -.276E-03 0.145E-03   -.237E-03 0.173E-03 0.150E-04   -.819E-06 -.169E-05 0.462E-06
   0.952E+00 0.960E+01 -.281E+02   -.957E+00 -.941E+01 0.280E+02   0.458E-02 -.189E+00 0.989E-01   -.195E-05 -.528E-04 -.422E-04
   -.961E+00 -.960E+01 0.281E+02   0.966E+00 0.941E+01 -.280E+02   -.450E-02 0.189E+00 -.989E-01   0.101E-05 0.559E-04 0.409E-04
   0.760E+00 -.920E+01 -.205E+02   -.716E+00 0.924E+01 0.202E+02   -.437E-01 -.393E-01 0.271E+00   -.901E-05 -.774E-05 -.557E-05
   -.169E+01 -.621E+02 0.444E+01   0.169E+01 0.620E+02 -.470E+01   0.494E-02 0.673E-01 0.248E+00   -.354E-05 0.514E-04 -.140E-03
   -.756E+00 0.920E+01 0.205E+02   0.712E+00 -.924E+01 -.202E+02   0.434E-01 0.397E-01 -.270E+00   0.969E-05 0.982E-05 0.503E-05
   0.169E+01 0.621E+02 -.444E+01   -.169E+01 -.620E+02 0.469E+01   -.491E-02 -.671E-01 -.248E+00   0.161E-05 -.545E-04 0.141E-03
 -----------------------------------------------------------------------------------------------
   -.233E-03 0.495E-04 -.652E-04   0.266E-13 0.171E-12 0.123E-12   0.256E-03 0.883E-03 0.677E-04   0.662E-05 0.672E-05 -.102E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07049      6.35816      7.88648        -0.000888      0.000208      0.000819
     -2.91086      8.15250      4.53472         0.000967     -0.000355     -0.000923
     -1.04392      1.16141      4.62390        -0.000864     -0.000653      0.003074
     -2.90165      5.24028      2.40348        -0.000487      0.000876     -0.007481
      1.19222      1.83209      0.31079         0.000030      0.000038      0.005120
     -3.08511      2.92908      5.68116        -0.000013     -0.000053      0.000028
     -0.94222      4.03119      4.03878        -0.000288     -0.000092     -0.005267
     -1.02757      4.59507      6.88009         0.000877      0.000317     -0.002918
      3.15152      0.62300      1.94606         0.000844     -0.000892      0.007505
     -5.03992      7.30622      6.13969        -0.000028      0.000056     -0.000076
     -0.84860      3.63559      1.26086        -0.000598     -0.001693     -0.001800
      1.09840      2.22778      3.08869         0.000546      0.001918      0.001830
     -0.85042      6.70150      3.45537         0.000135      0.003003     -0.003781
     -2.99613      5.53050      5.14288        -0.000667     -0.000546     -0.005311
     -2.80947      7.91604      1.81132        -0.000286     -0.002649      0.003867
      0.92465      0.22588      6.36115         0.000721      0.000518      0.005313
 -----------------------------------------------------------------------------------
    total drift:                                0.000030      0.000939      0.000002


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87773734 eV

  energy  without entropy=      -49.88264233  energy(sigma->0) =      -49.87937233
 
 d Force = 0.4122736E-04[ 0.358E-04, 0.466E-04]  d Energy = 0.4676504E-04-0.554E-05
 d Force =-0.1911139E+00[-0.192E+00,-0.191E+00]  d Ewald  =-0.4406676E+00 0.250E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000047  1 .order   -0.000049   -0.000055   -0.000042
  (g-gl).g = 0.434E-04      g.g   = 0.429E-04  gl.gl    = 0.796E-04
 g(Force)  = 0.222E-04   g(Stress)= 0.207E-04 ortho     = 0.211E-06
 gamma     =   0.54474
 trial     =   1.29012
 opt step  =   5.16049  (harmonic =   5.40034) maximal distance =0.00479548
 next E    =   -49.877807   (d E  =  -0.00012)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.75: real time    0.75
     LOOP+:  cpu time  125.32: real time  125.72


----------------------------------------- Iteration   15(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.60: real time   15.65
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.35: real time   17.40

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) : 0.1153986E-03  (-0.3763355E-01)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0654571 magnetization 

 Broyden mixing:
  rms(total) = 0.96341E-02    rms(broyden)= 0.96333E-02
  rms(prec ) = 0.12714E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.40637035
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.43251192
  PAW double counting   =      9487.53651204    -9415.50996793
  entropy T*S    EENTRO =         0.00490973
  eigenvalues    EBANDS =      -339.25183391
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87762201 eV

  energy without entropy =      -49.88253174  energy(sigma->0) =      -49.87925859


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.09: real time   18.18
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.71
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.81: real time   19.95

 eigenvalue-minimisations  :  8208
 total energy-change (2. order) :-0.2281173E-03  (-0.4600837E-03)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0539699 magnetization 

 Broyden mixing:
  rms(total) = 0.50316E-02    rms(broyden)= 0.50314E-02
  rms(prec ) = 0.64356E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7938
  0.7938

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.97633061
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45636212
  PAW double counting   =      9487.43554324    -9415.39462902
  entropy T*S    EENTRO =         0.00494863
  eigenvalues    EBANDS =      -338.72036097
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87785013 eV

  energy without entropy =      -49.88279876  energy(sigma->0) =      -49.87949967


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   20.46: real time   20.55
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.71: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   22.20: real time   22.30

 eigenvalue-minimisations  :  9632
 total energy-change (2. order) : 0.3006264E-04  (-0.2036388E-04)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0532881 magnetization 

 Broyden mixing:
  rms(total) = 0.29243E-02    rms(broyden)= 0.29241E-02
  rms(prec ) = 0.36175E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4307
  0.9517  1.9097

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.96761725
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45736792
  PAW double counting   =      9487.51338349    -9415.47346470
  entropy T*S    EENTRO =         0.00494777
  eigenvalues    EBANDS =      -338.72905379
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87782007 eV

  energy without entropy =      -49.88276784  energy(sigma->0) =      -49.87946933


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   4)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.63: real time   17.70
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.40: real time   19.46

 eigenvalue-minimisations  :  7936
 total energy-change (2. order) : 0.1919729E-04  (-0.5461504E-05)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0524759 magnetization 

 Broyden mixing:
  rms(total) = 0.98204E-03    rms(broyden)= 0.98202E-03
  rms(prec ) = 0.11005E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2920
  1.9497  1.1558  0.7706

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1872.01068406
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46115704
  PAW double counting   =      9486.92921814    -9414.89195753
  entropy T*S    EENTRO =         0.00495368
  eigenvalues    EBANDS =      -338.68710463
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87780087 eV

  energy without entropy =      -49.88275455  energy(sigma->0) =      -49.87945210


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.45: real time   19.50
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.76: real time    1.77
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.24: real time   21.30

 eigenvalue-minimisations  :  9008
 total energy-change (2. order) : 0.7834387E-06  (-0.4000578E-06)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0529268 magnetization 

 Broyden mixing:
  rms(total) = 0.40027E-03    rms(broyden)= 0.40025E-03
  rms(prec ) = 0.43870E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3827
  2.2060  0.8382  1.1891  1.2976

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99544451
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46086816
  PAW double counting   =      9486.88919601    -9414.85358757
  entropy T*S    EENTRO =         0.00495370
  eigenvalues    EBANDS =      -338.70040238
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87780009 eV

  energy without entropy =      -49.88275379  energy(sigma->0) =      -49.87945132


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.01: real time   18.08
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.77: real time   19.86

 eigenvalue-minimisations  :  8160
 total energy-change (2. order) : 0.2114302E-06  (-0.4969984E-07)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0528938 magnetization 

 Broyden mixing:
  rms(total) = 0.16746E-03    rms(broyden)= 0.16743E-03
  rms(prec ) = 0.18236E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4623
  2.3799  1.8751  1.2622  0.8042  0.9898

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99832345
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46119274
  PAW double counting   =      9486.84379141    -9414.80931297
  entropy T*S    EENTRO =         0.00495467
  eigenvalues    EBANDS =      -338.69671876
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87779988 eV

  energy without entropy =      -49.88275455  energy(sigma->0) =      -49.87945143


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   7)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.54: real time   13.58
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.58: real time   13.62

 eigenvalue-minimisations  :  5328
 total energy-change (2. order) :-0.3927016E-07  (-0.8355903E-08)
 number of electron     120.0000044 magnetization 
 augmentation part       42.0528938 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.14528660
  Ewald energy   TEWEN  =     -8355.03824541
  -1/2 Hartree   DENC   =     -1871.99649647
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46109188
  PAW double counting   =      9486.86269028    -9414.82891670
  entropy T*S    EENTRO =         0.00495470
  eigenvalues    EBANDS =      -338.69774009
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87779992 eV

  energy without entropy =      -49.88275461  energy(sigma->0) =      -49.87945148


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4590       2 -67.4590       3 -67.5474       4 -67.5085       5 -67.5362
       6 -67.5981       7 -67.5362       8 -67.5475       9 -67.5085      10 -58.8806
      11 -59.0059      12 -59.0059      13 -58.7037      14 -58.7499      15 -58.7038
      16 -58.7499
 
 
 
 E-fermi :   6.0184     XC(G=0): -10.7488     alpha+bet :-12.3653


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6566      2.00000
      5     -39.6562      2.00000
      6     -39.6161      2.00000
      7     -39.6014      2.00000
      8      -1.9462      2.00000
      9      -0.6529      2.00000
     10      -0.1281      2.00000
     11       0.1668      2.00000
     12       0.2624      2.00000
     13       0.2924      2.00000
     14       0.4325      2.00000
     15       0.5325      2.00000
     16       0.6045      2.00000
     17       0.6305      2.00000
     18       0.6679      2.00000
     19       0.7409      2.00000
     20       0.8925      2.00000
     21       0.9393      2.00000
     22       1.0512      2.00000
     23       1.0958      2.00000
     24       1.1843      2.00000
     25       1.2178      2.00000
     26       1.2820      2.00000
     27       1.3110      2.00000
     28       1.5810      2.00000
     29       1.6504      2.00000
     30       1.7128      2.00000
     31       1.7388      2.00000
     32       1.7909      2.00000
     33       1.9211      2.00000
     34       1.9393      2.00000
     35       2.1488      2.00000
     36       2.1724      2.00000
     37       2.2758      2.00000
     38       2.3108      2.00000
     39       2.4467      2.00000
     40       2.5295      2.00000
     41       2.5860      2.00000
     42       2.6379      2.00000
     43       2.7248      2.00000
     44       2.8675      2.00000
     45       2.8729      2.00000
     46       2.9053      2.00000
     47       2.9997      2.00000
     48       3.0437      2.00000
     49       3.1011      2.00000
     50       3.1310      2.00000
     51       3.3286      2.00000
     52       3.3826      2.00000
     53       3.4998      2.00000
     54       3.5833      2.00000
     55       3.8939      2.00000
     56       4.0710      2.00000
     57       4.2287      2.00000
     58       4.2333      2.00000
     59       4.9503      2.00000
     60       5.6207      2.01661
     61       6.2809     -0.06880
     62       8.1953     -0.00000
     63       8.2950     -0.00000
     64       8.3213     -0.00000
     65       8.9375     -0.00000
     66       9.6686     -0.00000
     67      10.3842     -0.00000
     68      10.7391     -0.00000
     69      11.4806      0.00000
     70      11.7700      0.00000
     71      11.8246      0.00000
     72      12.0597      0.00000
     73      12.2692      0.00000
     74      12.3471      0.00000
     75      12.5140      0.00000
     76      12.7916      0.00000
     77      13.2936      0.00000
     78      13.6643      0.00000
     79      13.7880      0.00000
     80      14.6408      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.6738      2.00000
      9      -0.5761      2.00000
     10      -0.2728      2.00000
     11       0.2590      2.00000
     12       0.2800      2.00000
     13       0.3868      2.00000
     14       0.4639      2.00000
     15       0.5964      2.00000
     16       0.6110      2.00000
     17       0.7299      2.00000
     18       0.8221      2.00000
     19       0.9093      2.00000
     20       0.9336      2.00000
     21       0.9717      2.00000
     22       1.0982      2.00000
     23       1.1160      2.00000
     24       1.1951      2.00000
     25       1.2456      2.00000
     26       1.3486      2.00000
     27       1.3803      2.00000
     28       1.4943      2.00000
     29       1.6275      2.00000
     30       1.6607      2.00000
     31       1.7521      2.00000
     32       1.8214      2.00000
     33       1.8552      2.00000
     34       2.0099      2.00000
     35       2.0343      2.00000
     36       2.1718      2.00000
     37       2.2534      2.00000
     38       2.3602      2.00000
     39       2.4544      2.00000
     40       2.5027      2.00000
     41       2.5638      2.00000
     42       2.6051      2.00000
     43       2.6838      2.00000
     44       2.7338      2.00000
     45       2.8030      2.00000
     46       2.8205      2.00000
     47       2.9232      2.00000
     48       3.0517      2.00000
     49       3.1131      2.00000
     50       3.1955      2.00000
     51       3.2378      2.00000
     52       3.2708      2.00000
     53       3.4170      2.00000
     54       3.6155      2.00000
     55       3.7131      2.00000
     56       3.8494      2.00000
     57       4.0967      2.00000
     58       4.5835      2.00000
     59       5.5110      2.00196
     60       6.2769     -0.06961
     61       6.7943     -0.00000
     62       7.1012     -0.00000
     63       7.7168     -0.00000
     64       8.1675     -0.00000
     65       8.5852     -0.00000
     66       8.7192     -0.00000
     67       9.6392     -0.00000
     68      10.2940     -0.00000
     69      10.6166     -0.00000
     70      10.6624     -0.00000
     71      11.1321     -0.00000
     72      11.7219      0.00000
     73      12.5534      0.00000
     74      12.9440      0.00000
     75      13.2281      0.00000
     76      13.2930      0.00000
     77      13.4790      0.00000
     78      13.8590      0.00000
     79      14.4486      0.00000
     80      14.7123      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0335      2.00000
      9      -0.4157      2.00000
     10      -0.1247      2.00000
     11       0.3188      2.00000
     12       0.4219      2.00000
     13       0.4976      2.00000
     14       0.5850      2.00000
     15       0.6448      2.00000
     16       0.7333      2.00000
     17       0.8376      2.00000
     18       0.9139      2.00000
     19       0.9946      2.00000
     20       1.0400      2.00000
     21       1.0743      2.00000
     22       1.1723      2.00000
     23       1.2283      2.00000
     24       1.2797      2.00000
     25       1.3077      2.00000
     26       1.3570      2.00000
     27       1.4542      2.00000
     28       1.5517      2.00000
     29       1.6056      2.00000
     30       1.7253      2.00000
     31       1.8128      2.00000
     32       1.8580      2.00000
     33       1.9584      2.00000
     34       2.0157      2.00000
     35       2.1099      2.00000
     36       2.1233      2.00000
     37       2.1884      2.00000
     38       2.2532      2.00000
     39       2.3060      2.00000
     40       2.4007      2.00000
     41       2.4886      2.00000
     42       2.5375      2.00000
     43       2.6542      2.00000
     44       2.6935      2.00000
     45       2.7436      2.00000
     46       2.7952      2.00000
     47       2.8393      2.00000
     48       2.9241      2.00000
     49       3.0134      2.00000
     50       3.0989      2.00000
     51       3.1430      2.00000
     52       3.2358      2.00000
     53       3.3627      2.00000
     54       3.4573      2.00000
     55       3.5812      2.00000
     56       3.8206      2.00000
     57       4.6142      2.00000
     58       5.0075      2.00000
     59       5.4452      2.00039
     60       5.7872      2.06930
     61       6.4812     -0.00510
     62       6.8371     -0.00000
     63       6.9847     -0.00000
     64       7.5266     -0.00000
     65       7.9962     -0.00000
     66       8.3457     -0.00000
     67       8.6880     -0.00000
     68       9.4207     -0.00000
     69       9.8056     -0.00000
     70      10.3540     -0.00000
     71      10.4758     -0.00000
     72      10.7877     -0.00000
     73      11.4105     -0.00000
     74      12.1896      0.00000
     75      13.1264      0.00000
     76      13.6908      0.00000
     77      13.7569      0.00000
     78      13.8767      0.00000
     79      14.2883      0.00000
     80      14.6923      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3922      2.00000
      9      -0.1117      2.00000
     10       0.0912      2.00000
     11       0.1614      2.00000
     12       0.4831      2.00000
     13       0.5086      2.00000
     14       0.5581      2.00000
     15       0.6333      2.00000
     16       0.8257      2.00000
     17       0.9161      2.00000
     18       0.9319      2.00000
     19       1.1114      2.00000
     20       1.1675      2.00000
     21       1.1847      2.00000
     22       1.2644      2.00000
     23       1.3708      2.00000
     24       1.3906      2.00000
     25       1.4046      2.00000
     26       1.4775      2.00000
     27       1.5157      2.00000
     28       1.6443      2.00000
     29       1.6830      2.00000
     30       1.7330      2.00000
     31       1.8031      2.00000
     32       1.9103      2.00000
     33       1.9556      2.00000
     34       2.0622      2.00000
     35       2.1463      2.00000
     36       2.1632      2.00000
     37       2.1835      2.00000
     38       2.2797      2.00000
     39       2.3138      2.00000
     40       2.3713      2.00000
     41       2.4622      2.00000
     42       2.4806      2.00000
     43       2.5485      2.00000
     44       2.6395      2.00000
     45       2.6716      2.00000
     46       2.7582      2.00000
     47       2.8023      2.00000
     48       2.8407      2.00000
     49       2.9236      2.00000
     50       3.0604      2.00000
     51       3.1637      2.00000
     52       3.2693      2.00000
     53       3.3643      2.00000
     54       3.5558      2.00000
     55       3.6393      2.00000
     56       3.8235      2.00000
     57       4.1485      2.00000
     58       4.2970      2.00000
     59       5.1363      2.00000
     60       5.8648      1.96270
     61       6.0509      0.72861
     62       6.1752      0.02827
     63       6.8180     -0.00000
     64       7.0783     -0.00000
     65       7.6695     -0.00000
     66       8.2156     -0.00000
     67       8.4844     -0.00000
     68       8.8326     -0.00000
     69       9.4859     -0.00000
     70       9.7767     -0.00000
     71      10.5270     -0.00000
     72      10.9671     -0.00000
     73      11.1398     -0.00000
     74      11.7859      0.00000
     75      12.2816      0.00000
     76      12.7634      0.00000
     77      13.4108      0.00000
     78      13.7801      0.00000
     79      13.9613      0.00000
     80      14.6478      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6105      2.00000
      7     -39.6073      2.00000
      8      -0.4468      2.00000
      9      -0.1810      2.00000
     10       0.0367      2.00000
     11       0.1356      2.00000
     12       0.5030      2.00000
     13       0.5251      2.00000
     14       0.7024      2.00000
     15       0.7396      2.00000
     16       0.8722      2.00000
     17       0.9123      2.00000
     18       0.9887      2.00000
     19       1.0675      2.00000
     20       1.0868      2.00000
     21       1.2400      2.00000
     22       1.2760      2.00000
     23       1.3275      2.00000
     24       1.3850      2.00000
     25       1.3934      2.00000
     26       1.4466      2.00000
     27       1.4929      2.00000
     28       1.6667      2.00000
     29       1.6996      2.00000
     30       1.7453      2.00000
     31       1.8026      2.00000
     32       1.8785      2.00000
     33       1.9050      2.00000
     34       2.0433      2.00000
     35       2.0823      2.00000
     36       2.1455      2.00000
     37       2.1617      2.00000
     38       2.2310      2.00000
     39       2.3389      2.00000
     40       2.4413      2.00000
     41       2.4637      2.00000
     42       2.5415      2.00000
     43       2.5826      2.00000
     44       2.6268      2.00000
     45       2.6757      2.00000
     46       2.7330      2.00000
     47       2.8091      2.00000
     48       2.8485      2.00000
     49       2.9094      2.00000
     50       3.0986      2.00000
     51       3.1811      2.00000
     52       3.2069      2.00000
     53       3.5193      2.00000
     54       3.5526      2.00000
     55       3.7422      2.00000
     56       4.2019      2.00000
     57       4.3925      2.00000
     58       4.5661      2.00000
     59       4.7237      2.00000
     60       5.1858      2.00000
     61       5.6187      2.01608
     62       6.0844      0.47323
     63       6.1009      0.36302
     64       7.1029     -0.00000
     65       8.2652     -0.00000
     66       8.3984     -0.00000
     67       8.9083     -0.00000
     68       9.1557     -0.00000
     69       9.2538     -0.00000
     70       9.9624     -0.00000
     71      10.4660     -0.00000
     72      10.5983     -0.00000
     73      11.3547     -0.00000
     74      11.9229      0.00000
     75      12.5765      0.00000
     76      13.1595      0.00000
     77      13.5188      0.00000
     78      13.8803      0.00000
     79      14.1337      0.00000
     80      14.4509      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.1640      2.00000
      9      -0.4823      2.00000
     10       0.0240      2.00000
     11       0.1460      2.00000
     12       0.5188      2.00000
     13       0.5872      2.00000
     14       0.6479      2.00000
     15       0.6869      2.00000
     16       0.8196      2.00000
     17       0.8343      2.00000
     18       0.8695      2.00000
     19       0.9577      2.00000
     20       1.0865      2.00000
     21       1.1275      2.00000
     22       1.1842      2.00000
     23       1.2069      2.00000
     24       1.3035      2.00000
     25       1.3378      2.00000
     26       1.3943      2.00000
     27       1.4444      2.00000
     28       1.4763      2.00000
     29       1.6363      2.00000
     30       1.7369      2.00000
     31       1.7623      2.00000
     32       1.8394      2.00000
     33       1.9011      2.00000
     34       1.9608      2.00000
     35       2.0569      2.00000
     36       2.1591      2.00000
     37       2.2260      2.00000
     38       2.2952      2.00000
     39       2.3619      2.00000
     40       2.4403      2.00000
     41       2.5182      2.00000
     42       2.5570      2.00000
     43       2.6032      2.00000
     44       2.6581      2.00000
     45       2.7682      2.00000
     46       2.7919      2.00000
     47       2.8752      2.00000
     48       2.8883      2.00000
     49       3.0466      2.00000
     50       3.0904      2.00000
     51       3.1368      2.00000
     52       3.2095      2.00000
     53       3.3189      2.00000
     54       3.5307      2.00000
     55       3.7001      2.00000
     56       4.1007      2.00000
     57       4.4554      2.00000
     58       4.8482      2.00000
     59       5.4945      2.00134
     60       5.7017      2.04766
     61       6.0817      0.49278
     62       6.3632     -0.03502
     63       6.9678     -0.00000
     64       7.1859     -0.00000
     65       7.5821     -0.00000
     66       8.2225     -0.00000
     67       8.9827     -0.00000
     68       9.2541     -0.00000
     69      10.2377     -0.00000
     70      11.0384     -0.00000
     71      11.3164     -0.00000
     72      11.6845      0.00000
     73      12.1236      0.00000
     74      12.3690      0.00000
     75      12.7905      0.00000
     76      13.4236      0.00000
     77      13.6326      0.00000
     78      13.9026      0.00000
     79      14.2885      0.00000
     80      14.4119      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.7580      2.00000
      9      -0.6373      2.00000
     10       0.0397      2.00000
     11       0.1781      2.00000
     12       0.3293      2.00000
     13       0.3366      2.00000
     14       0.4041      2.00000
     15       0.6242      2.00000
     16       0.6419      2.00000
     17       0.7318      2.00000
     18       0.8110      2.00000
     19       0.8835      2.00000
     20       0.9069      2.00000
     21       1.0587      2.00000
     22       1.0637      2.00000
     23       1.1496      2.00000
     24       1.2158      2.00000
     25       1.2759      2.00000
     26       1.3008      2.00000
     27       1.3309      2.00000
     28       1.4613      2.00000
     29       1.6626      2.00000
     30       1.6814      2.00000
     31       1.7691      2.00000
     32       1.8297      2.00000
     33       1.9021      2.00000
     34       1.9227      2.00000
     35       2.0776      2.00000
     36       2.1545      2.00000
     37       2.2844      2.00000
     38       2.3327      2.00000
     39       2.3814      2.00000
     40       2.4851      2.00000
     41       2.5198      2.00000
     42       2.6178      2.00000
     43       2.7388      2.00000
     44       2.7956      2.00000
     45       2.8251      2.00000
     46       2.8709      2.00000
     47       2.9334      2.00000
     48       3.0239      2.00000
     49       3.0912      2.00000
     50       3.1251      2.00000
     51       3.2082      2.00000
     52       3.2659      2.00000
     53       3.4345      2.00000
     54       3.6782      2.00000
     55       3.7921      2.00000
     56       3.9476      2.00000
     57       4.1219      2.00000
     58       4.8573      2.00000
     59       5.0467      2.00000
     60       5.5624      2.00585
     61       6.7223     -0.00001
     62       7.1769     -0.00000
     63       7.7277     -0.00000
     64       8.2267     -0.00000
     65       8.7032     -0.00000
     66       8.9793     -0.00000
     67       9.3897     -0.00000
     68      10.1920     -0.00000
     69      10.7689     -0.00000
     70      10.8277     -0.00000
     71      11.4120     -0.00000
     72      12.4732      0.00000
     73      12.8942      0.00000
     74      13.0729      0.00000
     75      13.2691      0.00000
     76      13.4416      0.00000
     77      13.8079      0.00000
     78      13.8770      0.00000
     79      14.3086      0.00000
     80      14.4212      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6561      2.00000
      6     -39.6160      2.00000
      7     -39.6014      2.00000
      8      -1.8655      2.00000
      9      -0.8996      2.00000
     10      -0.0321      2.00000
     11       0.1598      2.00000
     12       0.2095      2.00000
     13       0.2945      2.00000
     14       0.4257      2.00000
     15       0.5790      2.00000
     16       0.6090      2.00000
     17       0.6206      2.00000
     18       0.6862      2.00000
     19       0.7709      2.00000
     20       0.8408      2.00000
     21       0.9334      2.00000
     22       1.0357      2.00000
     23       1.0774      2.00000
     24       1.2474      2.00000
     25       1.2955      2.00000
     26       1.3928      2.00000
     27       1.4171      2.00000
     28       1.5887      2.00000
     29       1.6052      2.00000
     30       1.6478      2.00000
     31       1.7031      2.00000
     32       1.8035      2.00000
     33       1.8833      2.00000
     34       1.9424      2.00000
     35       2.1659      2.00000
     36       2.2227      2.00000
     37       2.2320      2.00000
     38       2.2925      2.00000
     39       2.4417      2.00000
     40       2.4987      2.00000
     41       2.6203      2.00000
     42       2.6599      2.00000
     43       2.6670      2.00000
     44       2.8173      2.00000
     45       2.8388      2.00000
     46       2.8840      2.00000
     47       2.9059      2.00000
     48       3.0588      2.00000
     49       3.1075      2.00000
     50       3.1469      2.00000
     51       3.3204      2.00000
     52       3.3646      2.00000
     53       3.4558      2.00000
     54       3.6323      2.00000
     55       3.9581      2.00000
     56       4.2217      2.00000
     57       4.2301      2.00000
     58       4.3471      2.00000
     59       4.8914      2.00000
     60       6.2832     -0.06827
     61       6.4920     -0.00409
     62       6.9266     -0.00000
     63       7.1985     -0.00000
     64       8.8152     -0.00000
     65       9.5513     -0.00000
     66       9.7081     -0.00000
     67       9.8967     -0.00000
     68      10.9898     -0.00000
     69      11.1966     -0.00000
     70      11.2859     -0.00000
     71      11.4568     -0.00000
     72      12.3099      0.00000
     73      12.6906      0.00000
     74      13.1324      0.00000
     75      13.3942      0.00000
     76      13.5270      0.00000
     77      13.8225      0.00000
     78      13.9906      0.00000
     79      14.2725      0.00000
     80      14.5300      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5851      2.00000
      9      -0.8192      2.00000
     10      -0.1488      2.00000
     11       0.2254      2.00000
     12       0.2622      2.00000
     13       0.4235      2.00000
     14       0.5002      2.00000
     15       0.5723      2.00000
     16       0.6178      2.00000
     17       0.6863      2.00000
     18       0.7841      2.00000
     19       0.8859      2.00000
     20       0.9556      2.00000
     21       0.9805      2.00000
     22       1.0501      2.00000
     23       1.1528      2.00000
     24       1.2123      2.00000
     25       1.2930      2.00000
     26       1.3674      2.00000
     27       1.3986      2.00000
     28       1.5280      2.00000
     29       1.5629      2.00000
     30       1.6180      2.00000
     31       1.6703      2.00000
     32       1.8875      2.00000
     33       1.9668      2.00000
     34       2.0183      2.00000
     35       2.1584      2.00000
     36       2.1847      2.00000
     37       2.2662      2.00000
     38       2.3148      2.00000
     39       2.3636      2.00000
     40       2.3869      2.00000
     41       2.4469      2.00000
     42       2.6534      2.00000
     43       2.6693      2.00000
     44       2.7717      2.00000
     45       2.7900      2.00000
     46       2.8392      2.00000
     47       2.9812      2.00000
     48       3.0093      2.00000
     49       3.1155      2.00000
     50       3.1766      2.00000
     51       3.1866      2.00000
     52       3.3051      2.00000
     53       3.4571      2.00000
     54       3.6467      2.00000
     55       3.6992      2.00000
     56       3.8886      2.00000
     57       4.4350      2.00000
     58       4.9027      2.00000
     59       5.5404      2.00374
     60       5.8581      1.98065
     61       6.5063     -0.00302
     62       7.0402     -0.00000
     63       7.5206     -0.00000
     64       8.0695     -0.00000
     65       8.3134     -0.00000
     66       8.9194     -0.00000
     67       9.4005     -0.00000
     68       9.6670     -0.00000
     69      10.4614     -0.00000
     70      12.0045      0.00000
     71      12.3058      0.00000
     72      12.3951      0.00000
     73      12.5557      0.00000
     74      12.7185      0.00000
     75      12.8502      0.00000
     76      13.3232      0.00000
     77      13.6018      0.00000
     78      13.9209      0.00000
     79      14.0033      0.00000
     80      14.4160      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0293      2.00000
      9      -0.3881      2.00000
     10      -0.1353      2.00000
     11       0.3189      2.00000
     12       0.3959      2.00000
     13       0.4937      2.00000
     14       0.5303      2.00000
     15       0.6704      2.00000
     16       0.7788      2.00000
     17       0.8120      2.00000
     18       0.9288      2.00000
     19       0.9396      2.00000
     20       1.0244      2.00000
     21       1.0711      2.00000
     22       1.1608      2.00000
     23       1.2147      2.00000
     24       1.3032      2.00000
     25       1.3513      2.00000
     26       1.4093      2.00000
     27       1.4749      2.00000
     28       1.5450      2.00000
     29       1.6118      2.00000
     30       1.7508      2.00000
     31       1.8225      2.00000
     32       1.8849      2.00000
     33       1.9221      2.00000
     34       1.9871      2.00000
     35       2.0401      2.00000
     36       2.0814      2.00000
     37       2.1350      2.00000
     38       2.2129      2.00000
     39       2.3108      2.00000
     40       2.4636      2.00000
     41       2.5002      2.00000
     42       2.5614      2.00000
     43       2.6216      2.00000
     44       2.6818      2.00000
     45       2.7945      2.00000
     46       2.8204      2.00000
     47       2.8729      2.00000
     48       2.9201      2.00000
     49       2.9718      2.00000
     50       3.0821      2.00000
     51       3.1703      2.00000
     52       3.2456      2.00000
     53       3.2822      2.00000
     54       3.4682      2.00000
     55       3.6069      2.00000
     56       4.0067      2.00000
     57       4.4748      2.00000
     58       5.2558      2.00000
     59       5.6782      2.03703
     60       5.9004      1.83091
     61       6.2909     -0.06610
     62       6.5222     -0.00212
     63       6.6971     -0.00002
     64       7.4406     -0.00000
     65       7.6871     -0.00000
     66       8.1036     -0.00000
     67       9.1341     -0.00000
     68       9.8244     -0.00000
     69       9.9474     -0.00000
     70      10.1206     -0.00000
     71      11.0962     -0.00000
     72      11.1855     -0.00000
     73      11.7662      0.00000
     74      12.0733      0.00000
     75      12.4192      0.00000
     76      12.7718      0.00000
     77      13.2903      0.00000
     78      13.6689      0.00000
     79      14.0651      0.00000
     80      14.4161      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3928      2.00000
      9      -0.0894      2.00000
     10       0.0696      2.00000
     11       0.1430      2.00000
     12       0.4138      2.00000
     13       0.5157      2.00000
     14       0.6038      2.00000
     15       0.7119      2.00000
     16       0.8484      2.00000
     17       0.9023      2.00000
     18       0.9113      2.00000
     19       1.0944      2.00000
     20       1.1500      2.00000
     21       1.1804      2.00000
     22       1.2437      2.00000
     23       1.3135      2.00000
     24       1.3991      2.00000
     25       1.4596      2.00000
     26       1.4908      2.00000
     27       1.5951      2.00000
     28       1.6658      2.00000
     29       1.7098      2.00000
     30       1.7293      2.00000
     31       1.8332      2.00000
     32       1.8780      2.00000
     33       1.9577      2.00000
     34       1.9797      2.00000
     35       2.0715      2.00000
     36       2.1203      2.00000
     37       2.2331      2.00000
     38       2.2993      2.00000
     39       2.3463      2.00000
     40       2.3867      2.00000
     41       2.4543      2.00000
     42       2.5107      2.00000
     43       2.5244      2.00000
     44       2.6244      2.00000
     45       2.6898      2.00000
     46       2.7300      2.00000
     47       2.7928      2.00000
     48       2.8437      2.00000
     49       2.8709      2.00000
     50       3.0676      2.00000
     51       3.1393      2.00000
     52       3.2684      2.00000
     53       3.3243      2.00000
     54       3.4803      2.00000
     55       3.5875      2.00000
     56       3.7322      2.00000
     57       4.4113      2.00000
     58       4.7751      2.00000
     59       5.1260      2.00000
     60       5.6607      2.02976
     61       5.9451      1.57603
     62       6.2088     -0.03889
     63       6.5170     -0.00239
     64       6.7341     -0.00001
     65       7.7432     -0.00000
     66       8.0514     -0.00000
     67       8.5128     -0.00000
     68       9.3053     -0.00000
     69       9.7446     -0.00000
     70      10.1782     -0.00000
     71      10.8571     -0.00000
     72      10.9711     -0.00000
     73      11.3759     -0.00000
     74      11.5899      0.00000
     75      12.1278      0.00000
     76      12.4615      0.00000
     77      13.1257      0.00000
     78      13.4196      0.00000
     79      14.0163      0.00000
     80      14.2838      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4437      2.00000
      9      -0.1570      2.00000
     10      -0.0394      2.00000
     11       0.1344      2.00000
     12       0.5462      2.00000
     13       0.6627      2.00000
     14       0.6981      2.00000
     15       0.7277      2.00000
     16       0.7964      2.00000
     17       0.8806      2.00000
     18       0.9523      2.00000
     19       1.0813      2.00000
     20       1.1051      2.00000
     21       1.1367      2.00000
     22       1.2589      2.00000
     23       1.3350      2.00000
     24       1.3655      2.00000
     25       1.3893      2.00000
     26       1.5407      2.00000
     27       1.5844      2.00000
     28       1.6662      2.00000
     29       1.7125      2.00000
     30       1.7611      2.00000
     31       1.8138      2.00000
     32       1.8548      2.00000
     33       1.9593      2.00000
     34       2.0005      2.00000
     35       2.0904      2.00000
     36       2.1598      2.00000
     37       2.2394      2.00000
     38       2.3249      2.00000
     39       2.3381      2.00000
     40       2.4462      2.00000
     41       2.4667      2.00000
     42       2.4928      2.00000
     43       2.5190      2.00000
     44       2.5624      2.00000
     45       2.5792      2.00000
     46       2.7219      2.00000
     47       2.7579      2.00000
     48       2.8108      2.00000
     49       2.8807      2.00000
     50       3.1251      2.00000
     51       3.1625      2.00000
     52       3.2864      2.00000
     53       3.5089      2.00000
     54       3.5722      2.00000
     55       3.6446      2.00000
     56       4.0681      2.00000
     57       4.4076      2.00000
     58       4.5158      2.00000
     59       5.0066      2.00000
     60       5.1464      2.00000
     61       5.8154      2.05319
     62       6.1404      0.15110
     63       6.5081     -0.00290
     64       7.1556     -0.00000
     65       7.2566     -0.00000
     66       7.7663     -0.00000
     67       8.3262     -0.00000
     68       9.5464     -0.00000
     69       9.9795     -0.00000
     70      10.5785     -0.00000
     71      11.0017     -0.00000
     72      11.2562     -0.00000
     73      11.7965      0.00000
     74      12.0328      0.00000
     75      12.2618      0.00000
     76      12.8773      0.00000
     77      13.1403      0.00000
     78      13.3225      0.00000
     79      14.1340      0.00000
     80      14.3271      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6562      2.00000
      5     -39.6562      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.2098      2.00000
      9      -0.3466      2.00000
     10      -0.0785      2.00000
     11       0.1042      2.00000
     12       0.5471      2.00000
     13       0.5715      2.00000
     14       0.6356      2.00000
     15       0.7124      2.00000
     16       0.8430      2.00000
     17       0.8758      2.00000
     18       0.9422      2.00000
     19       1.0028      2.00000
     20       1.0808      2.00000
     21       1.1082      2.00000
     22       1.1717      2.00000
     23       1.2432      2.00000
     24       1.2608      2.00000
     25       1.3180      2.00000
     26       1.3846      2.00000
     27       1.3914      2.00000
     28       1.5497      2.00000
     29       1.6742      2.00000
     30       1.6984      2.00000
     31       1.8131      2.00000
     32       1.8824      2.00000
     33       1.9288      2.00000
     34       2.0051      2.00000
     35       2.0205      2.00000
     36       2.0538      2.00000
     37       2.1591      2.00000
     38       2.2041      2.00000
     39       2.3974      2.00000
     40       2.4382      2.00000
     41       2.4907      2.00000
     42       2.5386      2.00000
     43       2.6148      2.00000
     44       2.6602      2.00000
     45       2.7666      2.00000
     46       2.8528      2.00000
     47       2.8828      2.00000
     48       2.9189      2.00000
     49       3.0202      2.00000
     50       3.0531      2.00000
     51       3.1016      2.00000
     52       3.1896      2.00000
     53       3.2824      2.00000
     54       3.5269      2.00000
     55       3.6519      2.00000
     56       4.0040      2.00000
     57       4.3339      2.00000
     58       5.3225      2.00001
     59       5.4761      2.00086
     60       5.6640      2.03107
     61       5.8397      2.02050
     62       6.6321     -0.00013
     63       6.9552     -0.00000
     64       7.4539     -0.00000
     65       7.8303     -0.00000
     66       7.8966     -0.00000
     67       8.4562     -0.00000
     68       9.7019     -0.00000
     69       9.9881     -0.00000
     70      10.4209     -0.00000
     71      11.7468      0.00000
     72      12.2441      0.00000
     73      12.5561      0.00000
     74      12.8830      0.00000
     75      13.0839      0.00000
     76      13.3924      0.00000
     77      13.4540      0.00000
     78      13.5437      0.00000
     79      13.8811      0.00000
     80      14.1059      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.7452      2.00000
      9      -0.6727      2.00000
     10       0.0106      2.00000
     11       0.2308      2.00000
     12       0.3194      2.00000
     13       0.3393      2.00000
     14       0.4034      2.00000
     15       0.6254      2.00000
     16       0.6379      2.00000
     17       0.7165      2.00000
     18       0.8091      2.00000
     19       0.8744      2.00000
     20       0.9550      2.00000
     21       1.0162      2.00000
     22       1.0847      2.00000
     23       1.1514      2.00000
     24       1.2261      2.00000
     25       1.2584      2.00000
     26       1.3329      2.00000
     27       1.3973      2.00000
     28       1.4381      2.00000
     29       1.6031      2.00000
     30       1.6787      2.00000
     31       1.7230      2.00000
     32       1.8238      2.00000
     33       1.8765      2.00000
     34       1.9548      2.00000
     35       2.1305      2.00000
     36       2.1934      2.00000
     37       2.2553      2.00000
     38       2.3089      2.00000
     39       2.3964      2.00000
     40       2.5130      2.00000
     41       2.5361      2.00000
     42       2.6090      2.00000
     43       2.7216      2.00000
     44       2.7583      2.00000
     45       2.8006      2.00000
     46       2.8818      2.00000
     47       2.9637      2.00000
     48       2.9959      2.00000
     49       3.1178      2.00000
     50       3.1575      2.00000
     51       3.2080      2.00000
     52       3.2863      2.00000
     53       3.4317      2.00000
     54       3.6290      2.00000
     55       3.7792      2.00000
     56       3.9513      2.00000
     57       4.1559      2.00000
     58       4.5088      2.00000
     59       5.2770      2.00000
     60       6.0579      0.67225
     61       6.5837     -0.00048
     62       6.9943     -0.00000
     63       7.7942     -0.00000
     64       8.0697     -0.00000
     65       8.3307     -0.00000
     66       8.7179     -0.00000
     67       9.6816     -0.00000
     68      10.4552     -0.00000
     69      10.9108     -0.00000
     70      11.0337     -0.00000
     71      11.3046     -0.00000
     72      12.5023      0.00000
     73      12.8789      0.00000
     74      13.0375      0.00000
     75      13.1623      0.00000
     76      13.5002      0.00000
     77      13.5855      0.00000
     78      13.9419      0.00000
     79      14.3482      0.00000
     80      14.4792      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6160      2.00000
      7     -39.6013      2.00000
      8      -1.8580      2.00000
      9      -0.9354      2.00000
     10       0.0371      2.00000
     11       0.1679      2.00000
     12       0.2051      2.00000
     13       0.2889      2.00000
     14       0.4188      2.00000
     15       0.5912      2.00000
     16       0.6103      2.00000
     17       0.6206      2.00000
     18       0.6872      2.00000
     19       0.7209      2.00000
     20       0.8394      2.00000
     21       0.9470      2.00000
     22       1.0853      2.00000
     23       1.1001      2.00000
     24       1.1980      2.00000
     25       1.2678      2.00000
     26       1.3498      2.00000
     27       1.3627      2.00000
     28       1.5513      2.00000
     29       1.6486      2.00000
     30       1.6902      2.00000
     31       1.7081      2.00000
     32       1.8002      2.00000
     33       1.8665      2.00000
     34       1.8956      2.00000
     35       2.1231      2.00000
     36       2.2158      2.00000
     37       2.2522      2.00000
     38       2.3855      2.00000
     39       2.4326      2.00000
     40       2.5259      2.00000
     41       2.5904      2.00000
     42       2.6204      2.00000
     43       2.6771      2.00000
     44       2.8468      2.00000
     45       2.8677      2.00000
     46       2.9836      2.00000
     47       3.0450      2.00000
     48       3.0544      2.00000
     49       3.1259      2.00000
     50       3.1893      2.00000
     51       3.2757      2.00000
     52       3.3131      2.00000
     53       3.5401      2.00000
     54       3.6470      2.00000
     55       3.9173      2.00000
     56       3.9391      2.00000
     57       4.2149      2.00000
     58       4.4055      2.00000
     59       5.0025      2.00000
     60       5.5998      2.01171
     61       6.2245     -0.05605
     62       7.7504     -0.00000
     63       8.1750     -0.00000
     64       8.6137     -0.00000
     65       8.6450     -0.00000
     66       9.7733     -0.00000
     67      10.3938     -0.00000
     68      10.5940     -0.00000
     69      10.8101     -0.00000
     70      11.2537     -0.00000
     71      11.7402      0.00000
     72      12.4672      0.00000
     73      12.7268      0.00000
     74      12.8238      0.00000
     75      13.1426      0.00000
     76      13.2483      0.00000
     77      13.6866      0.00000
     78      14.4271      0.00000
     79      14.4912      0.00000
     80      14.5561      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6562      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.6568      2.00000
      9      -0.6539      2.00000
     10      -0.2091      2.00000
     11       0.2441      2.00000
     12       0.2900      2.00000
     13       0.4325      2.00000
     14       0.4384      2.00000
     15       0.5866      2.00000
     16       0.6310      2.00000
     17       0.7236      2.00000
     18       0.7788      2.00000
     19       0.8727      2.00000
     20       0.9366      2.00000
     21       0.9813      2.00000
     22       1.0783      2.00000
     23       1.1419      2.00000
     24       1.1746      2.00000
     25       1.2500      2.00000
     26       1.3614      2.00000
     27       1.3754      2.00000
     28       1.4942      2.00000
     29       1.6226      2.00000
     30       1.6442      2.00000
     31       1.7423      2.00000
     32       1.8759      2.00000
     33       1.8968      2.00000
     34       1.9972      2.00000
     35       2.0772      2.00000
     36       2.1782      2.00000
     37       2.2396      2.00000
     38       2.3195      2.00000
     39       2.4005      2.00000
     40       2.4737      2.00000
     41       2.5651      2.00000
     42       2.6323      2.00000
     43       2.7212      2.00000
     44       2.7645      2.00000
     45       2.8194      2.00000
     46       2.8510      2.00000
     47       2.9301      2.00000
     48       3.0201      2.00000
     49       3.0777      2.00000
     50       3.1412      2.00000
     51       3.2249      2.00000
     52       3.2581      2.00000
     53       3.5453      2.00000
     54       3.6707      2.00000
     55       3.7427      2.00000
     56       3.8105      2.00000
     57       4.0990      2.00000
     58       4.9378      2.00000
     59       5.0779      2.00000
     60       5.8228      2.04529
     61       6.8068     -0.00000
     62       7.1835     -0.00000
     63       7.7737     -0.00000
     64       8.6833     -0.00000
     65       8.9429     -0.00000
     66       9.1255     -0.00000
     67       9.4567     -0.00000
     68       9.6228     -0.00000
     69       9.7887     -0.00000
     70      10.9399     -0.00000
     71      11.5629      0.00000
     72      12.1337      0.00000
     73      12.3261      0.00000
     74      12.4760      0.00000
     75      13.1579      0.00000
     76      13.2991      0.00000
     77      13.6882      0.00000
     78      14.0810      0.00000
     79      14.3977      0.00000
     80      14.5341      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0767      2.00000
      9      -0.2701      2.00000
     10      -0.2105      2.00000
     11       0.2591      2.00000
     12       0.4249      2.00000
     13       0.5225      2.00000
     14       0.5578      2.00000
     15       0.6772      2.00000
     16       0.7886      2.00000
     17       0.8336      2.00000
     18       0.9106      2.00000
     19       1.0027      2.00000
     20       1.0914      2.00000
     21       1.0992      2.00000
     22       1.1463      2.00000
     23       1.1973      2.00000
     24       1.2298      2.00000
     25       1.2753      2.00000
     26       1.3563      2.00000
     27       1.4936      2.00000
     28       1.5805      2.00000
     29       1.6368      2.00000
     30       1.6627      2.00000
     31       1.8192      2.00000
     32       1.8399      2.00000
     33       1.9962      2.00000
     34       2.0049      2.00000
     35       2.0655      2.00000
     36       2.1683      2.00000
     37       2.2045      2.00000
     38       2.2456      2.00000
     39       2.2985      2.00000
     40       2.3726      2.00000
     41       2.5084      2.00000
     42       2.6279      2.00000
     43       2.6544      2.00000
     44       2.7202      2.00000
     45       2.7588      2.00000
     46       2.8023      2.00000
     47       2.8366      2.00000
     48       2.9311      2.00000
     49       2.9517      2.00000
     50       3.0944      2.00000
     51       3.1189      2.00000
     52       3.2075      2.00000
     53       3.4120      2.00000
     54       3.4941      2.00000
     55       3.5864      2.00000
     56       3.6854      2.00000
     57       4.4231      2.00000
     58       4.7959      2.00000
     59       5.4317      2.00027
     60       5.9913      1.22676
     61       6.6014     -0.00030
     62       6.9401     -0.00000
     63       7.0319     -0.00000
     64       7.3304     -0.00000
     65       8.2603     -0.00000
     66       8.5039     -0.00000
     67       8.8265     -0.00000
     68       9.3357     -0.00000
     69       9.9709     -0.00000
     70      10.1793     -0.00000
     71      10.3264     -0.00000
     72      11.0790     -0.00000
     73      11.7730      0.00000
     74      12.1341      0.00000
     75      12.3033      0.00000
     76      12.9705      0.00000
     77      13.7688      0.00000
     78      13.8208      0.00000
     79      14.0891      0.00000
     80      14.2193      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3674      2.00000
      9      -0.1447      2.00000
     10       0.0802      2.00000
     11       0.1446      2.00000
     12       0.4551      2.00000
     13       0.5636      2.00000
     14       0.6361      2.00000
     15       0.6857      2.00000
     16       0.7322      2.00000
     17       0.8903      2.00000
     18       0.9461      2.00000
     19       1.0638      2.00000
     20       1.1476      2.00000
     21       1.1789      2.00000
     22       1.2137      2.00000
     23       1.3231      2.00000
     24       1.3780      2.00000
     25       1.4702      2.00000
     26       1.5348      2.00000
     27       1.5657      2.00000
     28       1.6341      2.00000
     29       1.7130      2.00000
     30       1.7805      2.00000
     31       1.8462      2.00000
     32       1.9076      2.00000
     33       1.9410      2.00000
     34       2.0864      2.00000
     35       2.1468      2.00000
     36       2.1536      2.00000
     37       2.2493      2.00000
     38       2.2604      2.00000
     39       2.3331      2.00000
     40       2.3734      2.00000
     41       2.4167      2.00000
     42       2.5102      2.00000
     43       2.5595      2.00000
     44       2.5950      2.00000
     45       2.6148      2.00000
     46       2.6880      2.00000
     47       2.7730      2.00000
     48       2.7926      2.00000
     49       2.8775      2.00000
     50       3.0701      2.00000
     51       3.1295      2.00000
     52       3.1851      2.00000
     53       3.3651      2.00000
     54       3.5330      2.00000
     55       3.6266      2.00000
     56       3.8838      2.00000
     57       4.3676      2.00000
     58       4.7229      2.00000
     59       5.1000      2.00000
     60       5.6346      2.02060
     61       5.6911      2.04278
     62       6.1969     -0.02027
     63       6.6453     -0.00009
     64       7.0054     -0.00000
     65       7.5016     -0.00000
     66       7.8704     -0.00000
     67       8.9900     -0.00000
     68       9.5993     -0.00000
     69       9.8871     -0.00000
     70      10.0843     -0.00000
     71      10.4712     -0.00000
     72      10.7322     -0.00000
     73      11.0879     -0.00000
     74      11.6159      0.00000
     75      12.2467      0.00000
     76      12.9575      0.00000
     77      13.1836      0.00000
     78      13.8980      0.00000
     79      13.9173      0.00000
     80      14.0554      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6105      2.00000
      7     -39.6073      2.00000
      8      -0.4520      2.00000
      9      -0.1491      2.00000
     10      -0.0139      2.00000
     11       0.1295      2.00000
     12       0.5351      2.00000
     13       0.5735      2.00000
     14       0.6434      2.00000
     15       0.7543      2.00000
     16       0.8607      2.00000
     17       0.9500      2.00000
     18       0.9967      2.00000
     19       1.0513      2.00000
     20       1.1069      2.00000
     21       1.1671      2.00000
     22       1.2216      2.00000
     23       1.3152      2.00000
     24       1.3913      2.00000
     25       1.4707      2.00000
     26       1.5026      2.00000
     27       1.5479      2.00000
     28       1.5986      2.00000
     29       1.7121      2.00000
     30       1.7539      2.00000
     31       1.7934      2.00000
     32       1.8959      2.00000
     33       1.9576      2.00000
     34       1.9691      2.00000
     35       2.0537      2.00000
     36       2.1801      2.00000
     37       2.1901      2.00000
     38       2.2873      2.00000
     39       2.3294      2.00000
     40       2.3555      2.00000
     41       2.4736      2.00000
     42       2.4950      2.00000
     43       2.5849      2.00000
     44       2.6152      2.00000
     45       2.6772      2.00000
     46       2.7686      2.00000
     47       2.7996      2.00000
     48       2.8132      2.00000
     49       2.8998      2.00000
     50       3.1220      2.00000
     51       3.1770      2.00000
     52       3.2300      2.00000
     53       3.5153      2.00000
     54       3.5723      2.00000
     55       3.6841      2.00000
     56       3.8790      2.00000
     57       4.4427      2.00000
     58       4.5797      2.00000
     59       4.9777      2.00000
     60       5.4250      2.00022
     61       5.7541      2.06840
     62       5.8196      2.04897
     63       6.7130     -0.00001
     64       6.9905     -0.00000
     65       7.2901     -0.00000
     66       7.5131     -0.00000
     67       9.0230     -0.00000
     68       9.4031     -0.00000
     69      10.1092     -0.00000
     70      10.5183     -0.00000
     71      10.8591     -0.00000
     72      11.2100     -0.00000
     73      11.4043     -0.00000
     74      11.6810      0.00000
     75      12.0177      0.00000
     76      12.6527      0.00000
     77      13.4660      0.00000
     78      13.5620      0.00000
     79      14.0925      0.00000
     80      14.1471      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6134      2.00000
      7     -39.6043      2.00000
      8      -1.1388      2.00000
      9      -0.5386      2.00000
     10       0.1036      2.00000
     11       0.1258      2.00000
     12       0.5060      2.00000
     13       0.5840      2.00000
     14       0.6506      2.00000
     15       0.6873      2.00000
     16       0.7975      2.00000
     17       0.8207      2.00000
     18       0.8448      2.00000
     19       0.9352      2.00000
     20       1.0937      2.00000
     21       1.1339      2.00000
     22       1.1743      2.00000
     23       1.2022      2.00000
     24       1.3161      2.00000
     25       1.3622      2.00000
     26       1.4022      2.00000
     27       1.4434      2.00000
     28       1.5100      2.00000
     29       1.5675      2.00000
     30       1.6914      2.00000
     31       1.7374      2.00000
     32       1.8764      2.00000
     33       1.9167      2.00000
     34       1.9727      2.00000
     35       2.1173      2.00000
     36       2.1633      2.00000
     37       2.2421      2.00000
     38       2.2856      2.00000
     39       2.3501      2.00000
     40       2.4259      2.00000
     41       2.5161      2.00000
     42       2.5710      2.00000
     43       2.6607      2.00000
     44       2.6937      2.00000
     45       2.7626      2.00000
     46       2.8063      2.00000
     47       2.8512      2.00000
     48       2.9088      2.00000
     49       2.9605      2.00000
     50       3.0781      2.00000
     51       3.1209      2.00000
     52       3.2051      2.00000
     53       3.3459      2.00000
     54       3.5113      2.00000
     55       3.7016      2.00000
     56       4.1223      2.00000
     57       4.6048      2.00000
     58       4.9817      2.00000
     59       5.3585      2.00003
     60       5.6883      2.04152
     61       6.0286      0.91359
     62       6.2166     -0.04840
     63       6.6982     -0.00002
     64       7.1765     -0.00000
     65       7.6205     -0.00000
     66       8.7408     -0.00000
     67       8.9048     -0.00000
     68       9.3550     -0.00000
     69      10.4044     -0.00000
     70      10.6079     -0.00000
     71      11.0146     -0.00000
     72      11.6234      0.00000
     73      12.2195      0.00000
     74      12.4991      0.00000
     75      12.8199      0.00000
     76      13.3561      0.00000
     77      13.5870      0.00000
     78      14.0738      0.00000
     79      14.2312      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6153      2.00000
      7     -39.6021      2.00000
      8      -1.6599      2.00000
      9      -0.8918      2.00000
     10       0.1391      2.00000
     11       0.2600      2.00000
     12       0.3087      2.00000
     13       0.3209      2.00000
     14       0.3984      2.00000
     15       0.6209      2.00000
     16       0.6420      2.00000
     17       0.6648      2.00000
     18       0.7501      2.00000
     19       0.8524      2.00000
     20       0.9337      2.00000
     21       1.0537      2.00000
     22       1.1223      2.00000
     23       1.1775      2.00000
     24       1.2164      2.00000
     25       1.2740      2.00000
     26       1.3761      2.00000
     27       1.3902      2.00000
     28       1.4715      2.00000
     29       1.5914      2.00000
     30       1.6913      2.00000
     31       1.7399      2.00000
     32       1.8444      2.00000
     33       1.8535      2.00000
     34       2.0307      2.00000
     35       2.1558      2.00000
     36       2.1905      2.00000
     37       2.2330      2.00000
     38       2.2629      2.00000
     39       2.3687      2.00000
     40       2.4445      2.00000
     41       2.5148      2.00000
     42       2.6235      2.00000
     43       2.6549      2.00000
     44       2.7769      2.00000
     45       2.8275      2.00000
     46       2.8769      2.00000
     47       2.9527      2.00000
     48       2.9849      2.00000
     49       3.1127      2.00000
     50       3.1858      2.00000
     51       3.2060      2.00000
     52       3.2936      2.00000
     53       3.4758      2.00000
     54       3.7158      2.00000
     55       3.9395      2.00000
     56       3.9628      2.00000
     57       4.1960      2.00000
     58       4.5997      2.00000
     59       5.0553      2.00000
     60       5.6532      2.02690
     61       6.7412     -0.00000
     62       7.3426     -0.00000
     63       7.6623     -0.00000
     64       8.2604     -0.00000
     65       8.4682     -0.00000
     66       8.5654     -0.00000
     67       9.0085     -0.00000
     68       9.2260     -0.00000
     69      11.3335     -0.00000
     70      12.1207      0.00000
     71      12.4192      0.00000
     72      12.6610      0.00000
     73      12.8340      0.00000
     74      13.0994      0.00000
     75      13.2842      0.00000
     76      13.5419      0.00000
     77      13.7071      0.00000
     78      13.7778      0.00000
     79      13.8832      0.00000
     80      14.0623      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6561      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6621      2.00000
      9      -0.7788      2.00000
     10      -0.6036      2.00000
     11       0.0752      2.00000
     12       0.2617      2.00000
     13       0.3751      2.00000
     14       0.3919      2.00000
     15       0.5485      2.00000
     16       0.6285      2.00000
     17       0.7392      2.00000
     18       0.7404      2.00000
     19       0.8314      2.00000
     20       0.8876      2.00000
     21       0.9210      2.00000
     22       1.0455      2.00000
     23       1.0988      2.00000
     24       1.1320      2.00000
     25       1.2317      2.00000
     26       1.3239      2.00000
     27       1.3526      2.00000
     28       1.4880      2.00000
     29       1.6052      2.00000
     30       1.6148      2.00000
     31       1.7800      2.00000
     32       1.9024      2.00000
     33       1.9063      2.00000
     34       2.0927      2.00000
     35       2.1470      2.00000
     36       2.2256      2.00000
     37       2.3484      2.00000
     38       2.4399      2.00000
     39       2.4628      2.00000
     40       2.4704      2.00000
     41       2.5387      2.00000
     42       2.6163      2.00000
     43       2.6806      2.00000
     44       2.6854      2.00000
     45       2.8151      2.00000
     46       2.8708      2.00000
     47       2.9546      2.00000
     48       2.9769      2.00000
     49       3.1493      2.00000
     50       3.2308      2.00000
     51       3.3177      2.00000
     52       3.3378      2.00000
     53       3.4407      2.00000
     54       3.5324      2.00000
     55       3.7159      2.00000
     56       3.7511      2.00000
     57       3.9897      2.00000
     58       4.1989      2.00000
     59       5.8118      2.05645
     60       7.2623     -0.00000
     61       7.4197     -0.00000
     62       7.4613     -0.00000
     63       7.7533     -0.00000
     64       8.2364     -0.00000
     65       8.7241     -0.00000
     66       9.2662     -0.00000
     67       9.8793     -0.00000
     68      10.4833     -0.00000
     69      10.6547     -0.00000
     70      11.2158     -0.00000
     71      11.2595     -0.00000
     72      11.4293     -0.00000
     73      12.4042      0.00000
     74      12.9819      0.00000
     75      13.1432      0.00000
     76      13.1831      0.00000
     77      13.4106      0.00000
     78      13.8853      0.00000
     79      13.9018      0.00000
     80      14.5901      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.3942      2.00000
      9      -0.7721      2.00000
     10      -0.4111      2.00000
     11       0.1156      2.00000
     12       0.1906      2.00000
     13       0.4701      2.00000
     14       0.5358      2.00000
     15       0.6250      2.00000
     16       0.6430      2.00000
     17       0.7432      2.00000
     18       0.7582      2.00000
     19       0.9165      2.00000
     20       0.9548      2.00000
     21       0.9893      2.00000
     22       0.9943      2.00000
     23       1.1011      2.00000
     24       1.1655      2.00000
     25       1.1872      2.00000
     26       1.3306      2.00000
     27       1.3531      2.00000
     28       1.5591      2.00000
     29       1.6148      2.00000
     30       1.7292      2.00000
     31       1.7683      2.00000
     32       1.8261      2.00000
     33       1.9628      2.00000
     34       2.0199      2.00000
     35       2.0502      2.00000
     36       2.1501      2.00000
     37       2.2783      2.00000
     38       2.2796      2.00000
     39       2.3612      2.00000
     40       2.5153      2.00000
     41       2.5548      2.00000
     42       2.6421      2.00000
     43       2.7067      2.00000
     44       2.7414      2.00000
     45       2.7996      2.00000
     46       2.8933      2.00000
     47       2.9217      2.00000
     48       3.0106      2.00000
     49       3.1065      2.00000
     50       3.1555      2.00000
     51       3.2207      2.00000
     52       3.3481      2.00000
     53       3.3705      2.00000
     54       3.5646      2.00000
     55       3.7833      2.00000
     56       3.8415      2.00000
     57       3.9872      2.00000
     58       4.2312      2.00000
     59       6.2102     -0.04066
     60       6.5035     -0.00321
     61       7.3872     -0.00000
     62       7.7761     -0.00000
     63       7.8877     -0.00000
     64       8.3532     -0.00000
     65       8.5538     -0.00000
     66       8.8076     -0.00000
     67       8.8337     -0.00000
     68       9.6430     -0.00000
     69      10.2076     -0.00000
     70      10.6288     -0.00000
     71      10.7670     -0.00000
     72      11.1145     -0.00000
     73      11.9469      0.00000
     74      12.2970      0.00000
     75      12.6497      0.00000
     76      13.1660      0.00000
     77      13.6124      0.00000
     78      13.9335      0.00000
     79      14.2717      0.00000
     80      14.6635      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9142      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.9072      2.00000
      9      -0.3845      2.00000
     10      -0.0413      2.00000
     11       0.0620      2.00000
     12       0.4417      2.00000
     13       0.4958      2.00000
     14       0.5958      2.00000
     15       0.6939      2.00000
     16       0.7527      2.00000
     17       0.7587      2.00000
     18       0.8255      2.00000
     19       0.8883      2.00000
     20       1.0002      2.00000
     21       1.0357      2.00000
     22       1.1571      2.00000
     23       1.2345      2.00000
     24       1.2884      2.00000
     25       1.3759      2.00000
     26       1.4168      2.00000
     27       1.4925      2.00000
     28       1.6123      2.00000
     29       1.6565      2.00000
     30       1.7156      2.00000
     31       1.7884      2.00000
     32       1.8393      2.00000
     33       1.9254      2.00000
     34       1.9798      2.00000
     35       2.0296      2.00000
     36       2.0743      2.00000
     37       2.2180      2.00000
     38       2.2534      2.00000
     39       2.2885      2.00000
     40       2.4045      2.00000
     41       2.5538      2.00000
     42       2.6243      2.00000
     43       2.6342      2.00000
     44       2.7077      2.00000
     45       2.7393      2.00000
     46       2.8324      2.00000
     47       2.8662      2.00000
     48       2.9037      2.00000
     49       2.9343      2.00000
     50       3.0342      2.00000
     51       3.1342      2.00000
     52       3.3050      2.00000
     53       3.3403      2.00000
     54       3.4875      2.00000
     55       3.5705      2.00000
     56       3.7498      2.00000
     57       4.4149      2.00000
     58       5.2202      2.00000
     59       5.2883      2.00000
     60       5.9528      1.52354
     61       7.0544     -0.00000
     62       7.1841     -0.00000
     63       7.3382     -0.00000
     64       7.4438     -0.00000
     65       8.1622     -0.00000
     66       8.4026     -0.00000
     67       8.6156     -0.00000
     68       9.0539     -0.00000
     69       9.3292     -0.00000
     70       9.8274     -0.00000
     71      10.7638     -0.00000
     72      10.9702     -0.00000
     73      11.2748     -0.00000
     74      11.5999      0.00000
     75      12.5142      0.00000
     76      13.0889      0.00000
     77      13.4143      0.00000
     78      13.6655      0.00000
     79      13.9100      0.00000
     80      14.1232      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3910      2.00000
      9      -0.0772      2.00000
     10       0.1018      2.00000
     11       0.1574      2.00000
     12       0.4554      2.00000
     13       0.4922      2.00000
     14       0.5507      2.00000
     15       0.6715      2.00000
     16       0.7824      2.00000
     17       0.9089      2.00000
     18       0.9408      2.00000
     19       1.1133      2.00000
     20       1.1675      2.00000
     21       1.2136      2.00000
     22       1.2367      2.00000
     23       1.3287      2.00000
     24       1.4112      2.00000
     25       1.4417      2.00000
     26       1.4857      2.00000
     27       1.5618      2.00000
     28       1.6193      2.00000
     29       1.6614      2.00000
     30       1.7159      2.00000
     31       1.8292      2.00000
     32       1.9123      2.00000
     33       1.9611      2.00000
     34       2.0337      2.00000
     35       2.1060      2.00000
     36       2.1195      2.00000
     37       2.2009      2.00000
     38       2.2980      2.00000
     39       2.3119      2.00000
     40       2.3550      2.00000
     41       2.4677      2.00000
     42       2.5290      2.00000
     43       2.5536      2.00000
     44       2.6256      2.00000
     45       2.6962      2.00000
     46       2.7375      2.00000
     47       2.8149      2.00000
     48       2.8359      2.00000
     49       2.9511      2.00000
     50       3.0706      2.00000
     51       3.1806      2.00000
     52       3.2837      2.00000
     53       3.3399      2.00000
     54       3.4689      2.00000
     55       3.5886      2.00000
     56       3.7877      2.00000
     57       4.0884      2.00000
     58       4.2971      2.00000
     59       5.4685      2.00071
     60       5.8587      1.97929
     61       6.0220      0.96915
     62       6.3361     -0.04716
     63       6.7264     -0.00001
     64       7.1230     -0.00000
     65       7.6044     -0.00000
     66       8.0666     -0.00000
     67       8.3323     -0.00000
     68       8.9216     -0.00000
     69       9.4360     -0.00000
     70      10.2336     -0.00000
     71      10.4170     -0.00000
     72      10.5625     -0.00000
     73      11.3140     -0.00000
     74      11.8257      0.00000
     75      12.1615      0.00000
     76      12.9373      0.00000
     77      13.0142      0.00000
     78      13.6811      0.00000
     79      13.9970      0.00000
     80      14.6409      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6561      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4473      2.00000
      9      -0.1498      2.00000
     10       0.0477      2.00000
     11       0.1325      2.00000
     12       0.4967      2.00000
     13       0.5312      2.00000
     14       0.6304      2.00000
     15       0.7136      2.00000
     16       0.8955      2.00000
     17       0.9205      2.00000
     18       1.0337      2.00000
     19       1.0761      2.00000
     20       1.1362      2.00000
     21       1.1793      2.00000
     22       1.2518      2.00000
     23       1.2974      2.00000
     24       1.3910      2.00000
     25       1.4120      2.00000
     26       1.4588      2.00000
     27       1.5071      2.00000
     28       1.6578      2.00000
     29       1.6947      2.00000
     30       1.7412      2.00000
     31       1.7942      2.00000
     32       1.8732      2.00000
     33       1.9134      2.00000
     34       2.0069      2.00000
     35       2.0783      2.00000
     36       2.1859      2.00000
     37       2.2107      2.00000
     38       2.2840      2.00000
     39       2.3497      2.00000
     40       2.3702      2.00000
     41       2.4507      2.00000
     42       2.5032      2.00000
     43       2.5516      2.00000
     44       2.6539      2.00000
     45       2.6886      2.00000
     46       2.7408      2.00000
     47       2.8125      2.00000
     48       2.8824      2.00000
     49       2.9049      2.00000
     50       3.1097      2.00000
     51       3.1647      2.00000
     52       3.2511      2.00000
     53       3.4753      2.00000
     54       3.5639      2.00000
     55       3.6016      2.00000
     56       3.8966      2.00000
     57       4.3408      2.00000
     58       4.8584      2.00000
     59       5.0028      2.00000
     60       5.2067      2.00000
     61       5.6135      2.01478
     62       5.8098      2.05801
     63       6.7196     -0.00001
     64       7.1797     -0.00000
     65       7.6943     -0.00000
     66       7.8769     -0.00000
     67       8.7039     -0.00000
     68       9.4964     -0.00000
     69       9.9546     -0.00000
     70      10.1255     -0.00000
     71      10.4701     -0.00000
     72      10.5869     -0.00000
     73      11.1441     -0.00000
     74      11.8172      0.00000
     75      12.2334      0.00000
     76      12.7396      0.00000
     77      13.5887      0.00000
     78      14.0619      0.00000
     79      14.3167      0.00000
     80      14.4663      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9186      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.0803      2.00000
      9      -0.3699      2.00000
     10      -0.1176      2.00000
     11       0.2709      2.00000
     12       0.4374      2.00000
     13       0.5106      2.00000
     14       0.5425      2.00000
     15       0.6799      2.00000
     16       0.7847      2.00000
     17       0.8405      2.00000
     18       0.9176      2.00000
     19       0.9482      2.00000
     20       1.0505      2.00000
     21       1.0816      2.00000
     22       1.1700      2.00000
     23       1.2175      2.00000
     24       1.2670      2.00000
     25       1.3226      2.00000
     26       1.4123      2.00000
     27       1.4533      2.00000
     28       1.5504      2.00000
     29       1.6100      2.00000
     30       1.7712      2.00000
     31       1.8195      2.00000
     32       1.8441      2.00000
     33       1.9652      2.00000
     34       1.9953      2.00000
     35       2.0541      2.00000
     36       2.1056      2.00000
     37       2.1332      2.00000
     38       2.2072      2.00000
     39       2.3299      2.00000
     40       2.4296      2.00000
     41       2.4706      2.00000
     42       2.6041      2.00000
     43       2.6503      2.00000
     44       2.6830      2.00000
     45       2.7867      2.00000
     46       2.8168      2.00000
     47       2.8711      2.00000
     48       2.9229      2.00000
     49       2.9757      2.00000
     50       3.0823      2.00000
     51       3.1295      2.00000
     52       3.2363      2.00000
     53       3.3196      2.00000
     54       3.4501      2.00000
     55       3.6253      2.00000
     56       4.0760      2.00000
     57       4.2770      2.00000
     58       5.1819      2.00000
     59       5.7488      2.06699
     60       5.9253      1.70094
     61       6.1145      0.28154
     62       6.5373     -0.00150
     63       6.7786     -0.00000
     64       7.2679     -0.00000
     65       7.6558     -0.00000
     66       8.3367     -0.00000
     67       9.3816     -0.00000
     68       9.5311     -0.00000
     69       9.9845     -0.00000
     70      10.1747     -0.00000
     71      11.3418     -0.00000
     72      11.4971      0.00000
     73      11.7703      0.00000
     74      11.9536      0.00000
     75      12.2831      0.00000
     76      12.7689      0.00000
     77      13.3544      0.00000
     78      13.6844      0.00000
     79      13.8273      0.00000
     80      14.2070      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6565      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5568      2.00000
      9      -0.5540      2.00000
     10      -0.4679      2.00000
     11       0.2089      2.00000
     12       0.2344      2.00000
     13       0.4718      2.00000
     14       0.5221      2.00000
     15       0.5934      2.00000
     16       0.6304      2.00000
     17       0.6727      2.00000
     18       0.7944      2.00000
     19       0.9006      2.00000
     20       0.9463      2.00000
     21       0.9868      2.00000
     22       1.0116      2.00000
     23       1.1178      2.00000
     24       1.1602      2.00000
     25       1.2163      2.00000
     26       1.3852      2.00000
     27       1.4326      2.00000
     28       1.4862      2.00000
     29       1.5974      2.00000
     30       1.6400      2.00000
     31       1.7269      2.00000
     32       1.8704      2.00000
     33       1.8882      2.00000
     34       2.0147      2.00000
     35       2.1050      2.00000
     36       2.2059      2.00000
     37       2.2686      2.00000
     38       2.3447      2.00000
     39       2.3700      2.00000
     40       2.4397      2.00000
     41       2.5866      2.00000
     42       2.6747      2.00000
     43       2.7037      2.00000
     44       2.7362      2.00000
     45       2.8401      2.00000
     46       2.8647      2.00000
     47       2.8926      2.00000
     48       3.0560      2.00000
     49       3.0904      2.00000
     50       3.1677      2.00000
     51       3.2266      2.00000
     52       3.2331      2.00000
     53       3.5307      2.00000
     54       3.6164      2.00000
     55       3.6521      2.00000
     56       3.8490      2.00000
     57       3.9758      2.00000
     58       4.4830      2.00000
     59       5.6744      2.03538
     60       6.3642     -0.03461
     61       6.7051     -0.00001
     62       7.5063     -0.00000
     63       7.9701     -0.00000
     64       8.6822     -0.00000
     65       8.8790     -0.00000
     66       9.2103     -0.00000
     67       9.3730     -0.00000
     68       9.4702     -0.00000
     69       9.7899     -0.00000
     70      10.5213     -0.00000
     71      11.1822     -0.00000
     72      11.5425      0.00000
     73      12.0594      0.00000
     74      12.2452      0.00000
     75      13.0151      0.00000
     76      13.2485      0.00000
     77      13.2916      0.00000
     78      13.8564      0.00000
     79      14.5908      0.00000
     80      14.6753      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6560      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6128      2.00000
      9      -0.8293      2.00000
     10      -0.5713      2.00000
     11       0.0729      2.00000
     12       0.1497      2.00000
     13       0.3588      2.00000
     14       0.3932      2.00000
     15       0.5477      2.00000
     16       0.6402      2.00000
     17       0.7646      2.00000
     18       0.7883      2.00000
     19       0.8674      2.00000
     20       0.8731      2.00000
     21       0.9184      2.00000
     22       1.0149      2.00000
     23       1.0266      2.00000
     24       1.0742      2.00000
     25       1.2517      2.00000
     26       1.3093      2.00000
     27       1.3774      2.00000
     28       1.4778      2.00000
     29       1.6254      2.00000
     30       1.6704      2.00000
     31       1.7603      2.00000
     32       1.8369      2.00000
     33       1.9564      2.00000
     34       2.0139      2.00000
     35       2.1713      2.00000
     36       2.2030      2.00000
     37       2.3297      2.00000
     38       2.4288      2.00000
     39       2.4636      2.00000
     40       2.4706      2.00000
     41       2.5125      2.00000
     42       2.6284      2.00000
     43       2.6374      2.00000
     44       2.6584      2.00000
     45       2.8285      2.00000
     46       2.8385      2.00000
     47       2.9491      2.00000
     48       2.9511      2.00000
     49       2.9821      2.00000
     50       3.1930      2.00000
     51       3.2537      2.00000
     52       3.4563      2.00000
     53       3.5504      2.00000
     54       3.6544      2.00000
     55       3.9668      2.00000
     56       4.0654      2.00000
     57       4.2116      2.00000
     58       4.5983      2.00000
     59       5.8671      1.95612
     60       6.1227      0.23622
     61       6.6464     -0.00008
     62       7.3650     -0.00000
     63       8.0008     -0.00000
     64       8.2500     -0.00000
     65       8.6528     -0.00000
     66       9.1089     -0.00000
     67       9.1656     -0.00000
     68      10.9105     -0.00000
     69      11.4379     -0.00000
     70      11.6294      0.00000
     71      11.9426      0.00000
     72      12.3412      0.00000
     73      12.6258      0.00000
     74      13.1719      0.00000
     75      13.2069      0.00000
     76      13.3589      0.00000
     77      13.3967      0.00000
     78      13.8280      0.00000
     79      13.8507      0.00000
     80      14.0865      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6560      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.3573      2.00000
      9      -0.6664      2.00000
     10      -0.5416      2.00000
     11       0.0546      2.00000
     12       0.1867      2.00000
     13       0.4659      2.00000
     14       0.5565      2.00000
     15       0.6224      2.00000
     16       0.6358      2.00000
     17       0.7476      2.00000
     18       0.7890      2.00000
     19       0.9114      2.00000
     20       0.9223      2.00000
     21       0.9488      2.00000
     22       0.9809      2.00000
     23       1.0960      2.00000
     24       1.1246      2.00000
     25       1.1774      2.00000
     26       1.3693      2.00000
     27       1.4309      2.00000
     28       1.5989      2.00000
     29       1.6146      2.00000
     30       1.6789      2.00000
     31       1.7219      2.00000
     32       1.7720      2.00000
     33       1.9361      2.00000
     34       2.0201      2.00000
     35       2.0785      2.00000
     36       2.1907      2.00000
     37       2.2131      2.00000
     38       2.2813      2.00000
     39       2.4570      2.00000
     40       2.4800      2.00000
     41       2.5379      2.00000
     42       2.6406      2.00000
     43       2.6835      2.00000
     44       2.7275      2.00000
     45       2.7502      2.00000
     46       2.8455      2.00000
     47       2.8872      2.00000
     48       2.9857      2.00000
     49       3.0657      2.00000
     50       3.1400      2.00000
     51       3.1649      2.00000
     52       3.3172      2.00000
     53       3.4398      2.00000
     54       3.5210      2.00000
     55       3.7651      2.00000
     56       3.8954      2.00000
     57       5.0212      2.00000
     58       5.1298      2.00000
     59       5.6120      2.01441
     60       6.0396      0.82132
     61       6.8550     -0.00000
     62       7.3545     -0.00000
     63       7.5064     -0.00000
     64       7.6992     -0.00000
     65       8.1155     -0.00000
     66       8.2616     -0.00000
     67       9.9475     -0.00000
     68      10.3747     -0.00000
     69      10.5440     -0.00000
     70      11.0019     -0.00000
     71      11.1593     -0.00000
     72      11.6577      0.00000
     73      12.3306      0.00000
     74      12.4612      0.00000
     75      12.9829      0.00000
     76      13.1699      0.00000
     77      13.6578      0.00000
     78      13.7961      0.00000
     79      14.0924      0.00000
     80      14.3639      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9142      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.8992      2.00000
      9      -0.3673      2.00000
     10      -0.0511      2.00000
     11       0.0290      2.00000
     12       0.4696      2.00000
     13       0.4962      2.00000
     14       0.5795      2.00000
     15       0.6973      2.00000
     16       0.7348      2.00000
     17       0.7717      2.00000
     18       0.8285      2.00000
     19       0.8801      2.00000
     20       0.9972      2.00000
     21       1.0247      2.00000
     22       1.1356      2.00000
     23       1.2402      2.00000
     24       1.3372      2.00000
     25       1.3860      2.00000
     26       1.4598      2.00000
     27       1.5143      2.00000
     28       1.5570      2.00000
     29       1.5938      2.00000
     30       1.7513      2.00000
     31       1.8020      2.00000
     32       1.8717      2.00000
     33       1.9126      2.00000
     34       1.9674      2.00000
     35       2.0196      2.00000
     36       2.1303      2.00000
     37       2.1883      2.00000
     38       2.2290      2.00000
     39       2.2564      2.00000
     40       2.3265      2.00000
     41       2.5570      2.00000
     42       2.6117      2.00000
     43       2.6561      2.00000
     44       2.7235      2.00000
     45       2.7333      2.00000
     46       2.8482      2.00000
     47       2.8723      2.00000
     48       2.9130      2.00000
     49       2.9645      2.00000
     50       3.0477      2.00000
     51       3.1365      2.00000
     52       3.2751      2.00000
     53       3.3515      2.00000
     54       3.4147      2.00000
     55       3.5027      2.00000
     56       3.7144      2.00000
     57       4.6987      2.00000
     58       5.3864      2.00007
     59       5.6330      2.02010
     60       5.8365      2.02603
     61       6.6961     -0.00002
     62       6.9406     -0.00000
     63       7.1039     -0.00000
     64       7.2402     -0.00000
     65       8.4947     -0.00000
     66       8.5810     -0.00000
     67       8.7006     -0.00000
     68       8.9018     -0.00000
     69       9.2472     -0.00000
     70       9.6710     -0.00000
     71      10.8934     -0.00000
     72      11.0828     -0.00000
     73      11.2663     -0.00000
     74      11.7933      0.00000
     75      12.7531      0.00000
     76      13.0073      0.00000
     77      13.5236      0.00000
     78      13.7526      0.00000
     79      13.9972      0.00000
     80      14.3882      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9170      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3678      2.00000
      9      -0.1233      2.00000
     10       0.1000      2.00000
     11       0.1729      2.00000
     12       0.4626      2.00000
     13       0.5300      2.00000
     14       0.5892      2.00000
     15       0.6357      2.00000
     16       0.7452      2.00000
     17       0.9012      2.00000
     18       0.9487      2.00000
     19       1.0651      2.00000
     20       1.1515      2.00000
     21       1.1931      2.00000
     22       1.2400      2.00000
     23       1.3179      2.00000
     24       1.3949      2.00000
     25       1.4840      2.00000
     26       1.5120      2.00000
     27       1.5414      2.00000
     28       1.6227      2.00000
     29       1.7176      2.00000
     30       1.7387      2.00000
     31       1.8372      2.00000
     32       1.9072      2.00000
     33       1.9710      2.00000
     34       2.0413      2.00000
     35       2.1101      2.00000
     36       2.1745      2.00000
     37       2.2555      2.00000
     38       2.3066      2.00000
     39       2.3185      2.00000
     40       2.3807      2.00000
     41       2.4306      2.00000
     42       2.5176      2.00000
     43       2.5618      2.00000
     44       2.5828      2.00000
     45       2.6361      2.00000
     46       2.7032      2.00000
     47       2.7588      2.00000
     48       2.8071      2.00000
     49       2.9573      2.00000
     50       3.0454      2.00000
     51       3.1407      2.00000
     52       3.1815      2.00000
     53       3.3319      2.00000
     54       3.5348      2.00000
     55       3.5994      2.00000
     56       3.9562      2.00000
     57       4.1924      2.00000
     58       4.4147      2.00000
     59       5.2766      2.00000
     60       5.8338      2.03037
     61       5.9556      1.50326
     62       6.2580     -0.07069
     63       6.4674     -0.00669
     64       6.9950     -0.00000
     65       7.8615     -0.00000
     66       8.0315     -0.00000
     67       8.8255     -0.00000
     68       9.1449     -0.00000
     69       9.7243     -0.00000
     70       9.8556     -0.00000
     71      10.3708     -0.00000
     72      10.5768     -0.00000
     73      10.9605     -0.00000
     74      11.8506      0.00000
     75      12.4545      0.00000
     76      12.6198      0.00000
     77      13.3292      0.00000
     78      13.7159      0.00000
     79      14.3555      0.00000
     80      14.4479      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4398      2.00000
      9      -0.1386      2.00000
     10      -0.0180      2.00000
     11       0.1304      2.00000
     12       0.5456      2.00000
     13       0.5898      2.00000
     14       0.6455      2.00000
     15       0.7781      2.00000
     16       0.8034      2.00000
     17       0.9226      2.00000
     18       0.9658      2.00000
     19       1.0485      2.00000
     20       1.1105      2.00000
     21       1.1508      2.00000
     22       1.2397      2.00000
     23       1.3385      2.00000
     24       1.3865      2.00000
     25       1.4081      2.00000
     26       1.4887      2.00000
     27       1.5916      2.00000
     28       1.6689      2.00000
     29       1.7201      2.00000
     30       1.7669      2.00000
     31       1.8218      2.00000
     32       1.8861      2.00000
     33       1.8990      2.00000
     34       2.0041      2.00000
     35       2.1235      2.00000
     36       2.1802      2.00000
     37       2.2199      2.00000
     38       2.2444      2.00000
     39       2.3055      2.00000
     40       2.3953      2.00000
     41       2.4538      2.00000
     42       2.4907      2.00000
     43       2.5537      2.00000
     44       2.6202      2.00000
     45       2.6443      2.00000
     46       2.7286      2.00000
     47       2.7724      2.00000
     48       2.8232      2.00000
     49       2.8773      2.00000
     50       3.1348      2.00000
     51       3.1443      2.00000
     52       3.3446      2.00000
     53       3.4711      2.00000
     54       3.5764      2.00000
     55       3.6083      2.00000
     56       3.7765      2.00000
     57       4.3628      2.00000
     58       4.5597      2.00000
     59       5.1248      2.00000
     60       5.6206      2.01657
     61       5.7587      2.06940
     62       6.4047     -0.01982
     63       6.4973     -0.00366
     64       6.8336     -0.00000
     65       6.9968     -0.00000
     66       7.3756     -0.00000
     67       9.1038     -0.00000
     68       9.3469     -0.00000
     69      10.2466     -0.00000
     70      10.5537     -0.00000
     71      10.9131     -0.00000
     72      11.4143     -0.00000
     73      11.5661      0.00000
     74      11.8328      0.00000
     75      12.1783      0.00000
     76      12.6577      0.00000
     77      12.9314      0.00000
     78      13.0988      0.00000
     79      13.9002      0.00000
     80      14.2322      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -1.1084      2.00000
      9      -0.3097      2.00000
     10      -0.1703      2.00000
     11       0.2336      2.00000
     12       0.4812      2.00000
     13       0.5463      2.00000
     14       0.5758      2.00000
     15       0.6541      2.00000
     16       0.7713      2.00000
     17       0.8562      2.00000
     18       0.9283      2.00000
     19       1.0190      2.00000
     20       1.0898      2.00000
     21       1.1203      2.00000
     22       1.1665      2.00000
     23       1.1909      2.00000
     24       1.2234      2.00000
     25       1.2532      2.00000
     26       1.3544      2.00000
     27       1.4835      2.00000
     28       1.5511      2.00000
     29       1.6389      2.00000
     30       1.6856      2.00000
     31       1.7934      2.00000
     32       1.8391      2.00000
     33       1.9691      2.00000
     34       2.0383      2.00000
     35       2.1009      2.00000
     36       2.1634      2.00000
     37       2.2197      2.00000
     38       2.2430      2.00000
     39       2.3027      2.00000
     40       2.3379      2.00000
     41       2.5267      2.00000
     42       2.6192      2.00000
     43       2.6436      2.00000
     44       2.7205      2.00000
     45       2.7348      2.00000
     46       2.7796      2.00000
     47       2.8183      2.00000
     48       2.9386      2.00000
     49       2.9975      2.00000
     50       3.0644      2.00000
     51       3.1384      2.00000
     52       3.2040      2.00000
     53       3.4266      2.00000
     54       3.4652      2.00000
     55       3.5680      2.00000
     56       3.7183      2.00000
     57       4.5310      2.00000
     58       4.7881      2.00000
     59       5.4086      2.00014
     60       5.9565      1.49671
     61       6.4748     -0.00579
     62       6.8121     -0.00000
     63       7.0908     -0.00000
     64       7.3892     -0.00000
     65       8.0515     -0.00000
     66       8.6655     -0.00000
     67       8.7609     -0.00000
     68       9.3364     -0.00000
     69       9.8352     -0.00000
     70       9.9196     -0.00000
     71      10.6601     -0.00000
     72      11.1723     -0.00000
     73      11.8773      0.00000
     74      12.1902      0.00000
     75      12.6548      0.00000
     76      13.2229      0.00000
     77      13.9597      0.00000
     78      14.0343      0.00000
     79      14.3670      0.00000
     80      14.4076      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.5486      2.00000
      9      -0.6272      2.00000
     10      -0.3824      2.00000
     11       0.1889      2.00000
     12       0.2319      2.00000
     13       0.4359      2.00000
     14       0.5225      2.00000
     15       0.5854      2.00000
     16       0.6296      2.00000
     17       0.6920      2.00000
     18       0.8058      2.00000
     19       0.9145      2.00000
     20       0.9428      2.00000
     21       0.9820      2.00000
     22       1.0451      2.00000
     23       1.1309      2.00000
     24       1.1578      2.00000
     25       1.2485      2.00000
     26       1.2700      2.00000
     27       1.3830      2.00000
     28       1.5916      2.00000
     29       1.6435      2.00000
     30       1.7058      2.00000
     31       1.7587      2.00000
     32       1.8208      2.00000
     33       1.8695      2.00000
     34       1.9922      2.00000
     35       2.0342      2.00000
     36       2.1212      2.00000
     37       2.3091      2.00000
     38       2.3457      2.00000
     39       2.4442      2.00000
     40       2.5149      2.00000
     41       2.5268      2.00000
     42       2.6066      2.00000
     43       2.6732      2.00000
     44       2.6984      2.00000
     45       2.7932      2.00000
     46       2.8438      2.00000
     47       2.9032      2.00000
     48       3.0497      2.00000
     49       3.0927      2.00000
     50       3.2095      2.00000
     51       3.2301      2.00000
     52       3.2982      2.00000
     53       3.4016      2.00000
     54       3.5887      2.00000
     55       3.7968      2.00000
     56       3.8150      2.00000
     57       3.9767      2.00000
     58       4.7521      2.00000
     59       5.6564      2.02810
     60       6.5580     -0.00091
     61       6.8458     -0.00000
     62       7.4471     -0.00000
     63       7.8306     -0.00000
     64       7.8833     -0.00000
     65       8.4192     -0.00000
     66       9.0479     -0.00000
     67       9.2227     -0.00000
     68       9.9857     -0.00000
     69      10.4713     -0.00000
     70      10.7210     -0.00000
     71      11.1376     -0.00000
     72      11.4768     -0.00000
     73      12.1348      0.00000
     74      12.6573      0.00000
     75      12.9978      0.00000
     76      13.3535      0.00000
     77      13.4971      0.00000
     78      13.9016      0.00000
     79      14.3169      0.00000
     80      14.5396      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9129      2.00000
      3     -39.7867      2.00000
      4     -39.6567      2.00000
      5     -39.6560      2.00000
      6     -39.6161      2.00000
      7     -39.6013      2.00000
      8      -1.6072      2.00000
      9      -0.7818      2.00000
     10      -0.6590      2.00000
     11       0.0671      2.00000
     12       0.1916      2.00000
     13       0.3549      2.00000
     14       0.3909      2.00000
     15       0.5651      2.00000
     16       0.6132      2.00000
     17       0.7277      2.00000
     18       0.7848      2.00000
     19       0.8452      2.00000
     20       0.9049      2.00000
     21       0.9250      2.00000
     22       1.0641      2.00000
     23       1.1109      2.00000
     24       1.1494      2.00000
     25       1.2449      2.00000
     26       1.2599      2.00000
     27       1.2701      2.00000
     28       1.4699      2.00000
     29       1.6033      2.00000
     30       1.6212      2.00000
     31       1.7492      2.00000
     32       1.7900      2.00000
     33       1.9125      2.00000
     34       2.1274      2.00000
     35       2.1572      2.00000
     36       2.3456      2.00000
     37       2.3549      2.00000
     38       2.3931      2.00000
     39       2.4401      2.00000
     40       2.4695      2.00000
     41       2.5366      2.00000
     42       2.6317      2.00000
     43       2.6666      2.00000
     44       2.7301      2.00000
     45       2.7996      2.00000
     46       2.8465      2.00000
     47       2.8968      2.00000
     48       2.9417      2.00000
     49       3.0393      2.00000
     50       3.1787      2.00000
     51       3.2270      2.00000
     52       3.3948      2.00000
     53       3.5909      2.00000
     54       3.6427      2.00000
     55       3.9587      2.00000
     56       4.0583      2.00000
     57       4.2304      2.00000
     58       4.4605      2.00000
     59       5.6802      2.03791
     60       6.2366     -0.06438
     61       6.6933     -0.00002
     62       7.5134     -0.00000
     63       7.8844     -0.00000
     64       8.1368     -0.00000
     65       8.8069     -0.00000
     66       9.3759     -0.00000
     67       9.5888     -0.00000
     68      10.7385     -0.00000
     69      10.8923     -0.00000
     70      11.4714     -0.00000
     71      11.9804      0.00000
     72      12.0766      0.00000
     73      12.5126      0.00000
     74      12.8915      0.00000
     75      13.0072      0.00000
     76      13.2876      0.00000
     77      13.4382      0.00000
     78      13.8966      0.00000
     79      14.0525      0.00000
     80      14.3360      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6561      2.00000
      6     -39.6154      2.00000
      7     -39.6020      2.00000
      8      -1.3895      2.00000
      9      -0.7310      2.00000
     10      -0.4725      2.00000
     11       0.1197      2.00000
     12       0.1869      2.00000
     13       0.4780      2.00000
     14       0.5477      2.00000
     15       0.6304      2.00000
     16       0.6365      2.00000
     17       0.7473      2.00000
     18       0.7679      2.00000
     19       0.9286      2.00000
     20       0.9340      2.00000
     21       0.9513      2.00000
     22       0.9802      2.00000
     23       1.1188      2.00000
     24       1.1605      2.00000
     25       1.1820      2.00000
     26       1.3683      2.00000
     27       1.3806      2.00000
     28       1.5167      2.00000
     29       1.6170      2.00000
     30       1.6319      2.00000
     31       1.7942      2.00000
     32       1.8442      2.00000
     33       1.9624      2.00000
     34       1.9896      2.00000
     35       2.1663      2.00000
     36       2.2021      2.00000
     37       2.2220      2.00000
     38       2.2582      2.00000
     39       2.3083      2.00000
     40       2.5367      2.00000
     41       2.5770      2.00000
     42       2.6226      2.00000
     43       2.6955      2.00000
     44       2.7429      2.00000
     45       2.8154      2.00000
     46       2.8970      2.00000
     47       2.9575      2.00000
     48       3.0037      2.00000
     49       3.1135      2.00000
     50       3.1564      2.00000
     51       3.1982      2.00000
     52       3.3109      2.00000
     53       3.4007      2.00000
     54       3.5591      2.00000
     55       3.7453      2.00000
     56       3.9001      2.00000
     57       4.0341      2.00000
     58       4.2887      2.00000
     59       6.2386     -0.06539
     60       6.6599     -0.00006
     61       7.1150     -0.00000
     62       7.3103     -0.00000
     63       8.0029     -0.00000
     64       8.2252     -0.00000
     65       8.3864     -0.00000
     66       8.7902     -0.00000
     67       9.5593     -0.00000
     68       9.8223     -0.00000
     69      10.1356     -0.00000
     70      10.3438     -0.00000
     71      10.8612     -0.00000
     72      11.3379     -0.00000
     73      12.0501      0.00000
     74      12.2056      0.00000
     75      12.6267      0.00000
     76      13.1366      0.00000
     77      13.5518      0.00000
     78      13.7498      0.00000
     79      14.3157      0.00000
     80      14.6211      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6561      2.00000
      6     -39.6135      2.00000
      7     -39.6042      2.00000
      8      -0.9136      2.00000
      9      -0.4533      2.00000
     10       0.0449      2.00000
     11       0.0944      2.00000
     12       0.3947      2.00000
     13       0.4979      2.00000
     14       0.6470      2.00000
     15       0.6693      2.00000
     16       0.7368      2.00000
     17       0.7796      2.00000
     18       0.8180      2.00000
     19       0.9059      2.00000
     20       1.0196      2.00000
     21       1.0438      2.00000
     22       1.1246      2.00000
     23       1.2299      2.00000
     24       1.2722      2.00000
     25       1.2933      2.00000
     26       1.3795      2.00000
     27       1.4637      2.00000
     28       1.6720      2.00000
     29       1.6981      2.00000
     30       1.7862      2.00000
     31       1.8249      2.00000
     32       1.8542      2.00000
     33       1.9115      2.00000
     34       1.9723      2.00000
     35       1.9989      2.00000
     36       2.0286      2.00000
     37       2.2387      2.00000
     38       2.2949      2.00000
     39       2.3511      2.00000
     40       2.4824      2.00000
     41       2.5193      2.00000
     42       2.5692      2.00000
     43       2.6886      2.00000
     44       2.7080      2.00000
     45       2.7418      2.00000
     46       2.7623      2.00000
     47       2.8560      2.00000
     48       2.8798      2.00000
     49       2.9122      2.00000
     50       3.0736      2.00000
     51       3.1663      2.00000
     52       3.3316      2.00000
     53       3.3470      2.00000
     54       3.5848      2.00000
     55       3.7515      2.00000
     56       3.8227      2.00000
     57       4.0243      2.00000
     58       4.6298      2.00000
     59       4.8198      2.00000
     60       6.5714     -0.00065
     61       7.0549     -0.00000
     62       7.5081     -0.00000
     63       7.6230     -0.00000
     64       7.8431     -0.00000
     65       8.0286     -0.00000
     66       8.6844     -0.00000
     67       8.9073     -0.00000
     68       9.1869     -0.00000
     69       9.5797     -0.00000
     70       9.6029     -0.00000
     71       9.8013     -0.00000
     72      10.0840     -0.00000
     73      11.4866      0.00000
     74      11.7997      0.00000
     75      11.8815      0.00000
     76      12.9954      0.00000
     77      13.3763      0.00000
     78      13.9796      0.00000
     79      14.2265      0.00000
     80      14.5785      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9170      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6072      2.00000
      8      -0.3640      2.00000
      9      -0.1227      2.00000
     10       0.1038      2.00000
     11       0.1527      2.00000
     12       0.4172      2.00000
     13       0.5352      2.00000
     14       0.6103      2.00000
     15       0.6905      2.00000
     16       0.7676      2.00000
     17       0.8924      2.00000
     18       0.9359      2.00000
     19       1.0670      2.00000
     20       1.1187      2.00000
     21       1.1823      2.00000
     22       1.2115      2.00000
     23       1.3431      2.00000
     24       1.3921      2.00000
     25       1.4466      2.00000
     26       1.5069      2.00000
     27       1.6572      2.00000
     28       1.6994      2.00000
     29       1.7190      2.00000
     30       1.7376      2.00000
     31       1.8337      2.00000
     32       1.8728      2.00000
     33       1.9337      2.00000
     34       2.0085      2.00000
     35       2.1216      2.00000
     36       2.1614      2.00000
     37       2.2521      2.00000
     38       2.2779      2.00000
     39       2.3472      2.00000
     40       2.3942      2.00000
     41       2.4357      2.00000
     42       2.5266      2.00000
     43       2.5695      2.00000
     44       2.5945      2.00000
     45       2.6426      2.00000
     46       2.6779      2.00000
     47       2.7293      2.00000
     48       2.7917      2.00000
     49       2.8764      2.00000
     50       3.0750      2.00000
     51       3.1253      2.00000
     52       3.1788      2.00000
     53       3.2239      2.00000
     54       3.4891      2.00000
     55       3.5986      2.00000
     56       3.9577      2.00000
     57       4.6231      2.00000
     58       4.7016      2.00000
     59       5.1193      2.00000
     60       5.6476      2.02489
     61       5.7770      2.07081
     62       6.0845      0.47302
     63       6.3823     -0.02739
     64       6.9301     -0.00000
     65       7.6581     -0.00000
     66       8.4531     -0.00000
     67       9.0017     -0.00000
     68       9.3546     -0.00000
     69       9.4763     -0.00000
     70       9.8160     -0.00000
     71      10.6653     -0.00000
     72      11.0192     -0.00000
     73      11.3746     -0.00000
     74      11.7083      0.00000
     75      12.0780      0.00000
     76      12.4150      0.00000
     77      12.7605      0.00000
     78      13.6204      0.00000
     79      13.9592      0.00000
     80      14.1628      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9171      2.00000
      2     -39.9155      2.00000
      3     -39.7860      2.00000
      4     -39.6562      2.00000
      5     -39.6560      2.00000
      6     -39.6106      2.00000
      7     -39.6073      2.00000
      8      -0.4283      2.00000
      9      -0.1872      2.00000
     10       0.0376      2.00000
     11       0.1378      2.00000
     12       0.5265      2.00000
     13       0.5868      2.00000
     14       0.6770      2.00000
     15       0.7372      2.00000
     16       0.7956      2.00000
     17       0.8749      2.00000
     18       0.9525      2.00000
     19       1.0907      2.00000
     20       1.1091      2.00000
     21       1.1977      2.00000
     22       1.2714      2.00000
     23       1.2949      2.00000
     24       1.3644      2.00000
     25       1.4115      2.00000
     26       1.4658      2.00000
     27       1.5514      2.00000
     28       1.6665      2.00000
     29       1.7407      2.00000
     30       1.7728      2.00000
     31       1.8308      2.00000
     32       1.8465      2.00000
     33       1.9592      2.00000
     34       2.0598      2.00000
     35       2.0936      2.00000
     36       2.1315      2.00000
     37       2.2415      2.00000
     38       2.2784      2.00000
     39       2.2877      2.00000
     40       2.4368      2.00000
     41       2.4740      2.00000
     42       2.4780      2.00000
     43       2.5532      2.00000
     44       2.6229      2.00000
     45       2.6491      2.00000
     46       2.7027      2.00000
     47       2.7923      2.00000
     48       2.8016      2.00000
     49       2.8806      2.00000
     50       3.0905      2.00000
     51       3.1680      2.00000
     52       3.2502      2.00000
     53       3.4828      2.00000
     54       3.5628      2.00000
     55       3.6528      2.00000
     56       4.0612      2.00000
     57       4.5103      2.00000
     58       4.5615      2.00000
     59       4.8285      2.00000
     60       5.1676      2.00000
     61       5.6579      2.02870
     62       6.1381      0.16131
     63       6.3989     -0.02163
     64       7.5672     -0.00000
     65       7.7334     -0.00000
     66       8.0264     -0.00000
     67       8.4194     -0.00000
     68       8.9566     -0.00000
     69       9.6311     -0.00000
     70      10.2582     -0.00000
     71      10.3995     -0.00000
     72      11.2695     -0.00000
     73      11.6890      0.00000
     74      12.2874      0.00000
     75      12.4673      0.00000
     76      12.6262      0.00000
     77      13.3659      0.00000
     78      13.6134      0.00000
     79      14.1718      0.00000
     80      14.3065      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9185      2.00000
      2     -39.9141      2.00000
      3     -39.7862      2.00000
      4     -39.6563      2.00000
      5     -39.6560      2.00000
      6     -39.6134      2.00000
      7     -39.6042      2.00000
      8      -1.0482      2.00000
      9      -0.4646      2.00000
     10      -0.0806      2.00000
     11       0.3263      2.00000
     12       0.4418      2.00000
     13       0.5128      2.00000
     14       0.5665      2.00000
     15       0.6427      2.00000
     16       0.7471      2.00000
     17       0.8185      2.00000
     18       0.9195      2.00000
     19       0.9887      2.00000
     20       1.0215      2.00000
     21       1.0953      2.00000
     22       1.1824      2.00000
     23       1.2103      2.00000
     24       1.3107      2.00000
     25       1.3380      2.00000
     26       1.3590      2.00000
     27       1.4389      2.00000
     28       1.5044      2.00000
     29       1.6041      2.00000
     30       1.7664      2.00000
     31       1.8411      2.00000
     32       1.8615      2.00000
     33       1.9296      2.00000
     34       1.9887      2.00000
     35       2.0414      2.00000
     36       2.1203      2.00000
     37       2.1940      2.00000
     38       2.2604      2.00000
     39       2.3294      2.00000
     40       2.4496      2.00000
     41       2.4926      2.00000
     42       2.5083      2.00000
     43       2.6507      2.00000
     44       2.6811      2.00000
     45       2.7611      2.00000
     46       2.8016      2.00000
     47       2.8507      2.00000
     48       2.9248      2.00000
     49       3.0223      2.00000
     50       3.0823      2.00000
     51       3.1497      2.00000
     52       3.2180      2.00000
     53       3.3241      2.00000
     54       3.4871      2.00000
     55       3.6516      2.00000
     56       3.8499      2.00000
     57       4.7570      2.00000
     58       5.2134      2.00000
     59       5.3395      2.00002
     60       5.5984      2.01143
     61       6.3420     -0.04444
     62       6.5407     -0.00139
     63       7.2846     -0.00000
     64       7.3890     -0.00000
     65       7.6646     -0.00000
     66       8.0567     -0.00000
     67       8.8539     -0.00000
     68       9.6496     -0.00000
     69       9.9800     -0.00000
     70      10.4963     -0.00000
     71      10.6823     -0.00000
     72      11.0083     -0.00000
     73      11.3046     -0.00000
     74      12.4693      0.00000
     75      13.0232      0.00000
     76      13.2969      0.00000
     77      13.5928      0.00000
     78      14.1267      0.00000
     79      14.2234      0.00000
     80      14.8611      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9196      2.00000
      2     -39.9132      2.00000
      3     -39.7865      2.00000
      4     -39.6566      2.00000
      5     -39.6560      2.00000
      6     -39.6154      2.00000
      7     -39.6021      2.00000
      8      -1.4870      2.00000
      9      -0.7358      2.00000
     10      -0.3600      2.00000
     11       0.1618      2.00000
     12       0.2183      2.00000
     13       0.4636      2.00000
     14       0.5293      2.00000
     15       0.6070      2.00000
     16       0.6307      2.00000
     17       0.6641      2.00000
     18       0.8214      2.00000
     19       0.8781      2.00000
     20       0.9367      2.00000
     21       0.9753      2.00000
     22       0.9934      2.00000
     23       1.1426      2.00000
     24       1.1783      2.00000
     25       1.2460      2.00000
     26       1.3205      2.00000
     27       1.4354      2.00000
     28       1.5465      2.00000
     29       1.5952      2.00000
     30       1.6164      2.00000
     31       1.6905      2.00000
     32       1.8939      2.00000
     33       1.9653      2.00000
     34       2.0179      2.00000
     35       2.0920      2.00000
     36       2.1947      2.00000
     37       2.2574      2.00000
     38       2.3343      2.00000
     39       2.3546      2.00000
     40       2.4539      2.00000
     41       2.4726      2.00000
     42       2.6321      2.00000
     43       2.6736      2.00000
     44       2.7526      2.00000
     45       2.7777      2.00000
     46       2.8277      2.00000
     47       2.9652      2.00000
     48       2.9855      2.00000
     49       3.1161      2.00000
     50       3.1539      2.00000
     51       3.1966      2.00000
     52       3.3046      2.00000
     53       3.3799      2.00000
     54       3.6133      2.00000
     55       3.7816      2.00000
     56       3.8288      2.00000
     57       4.6179      2.00000
     58       5.1307      2.00000
     59       5.6800      2.03782
     60       6.1363      0.16932
     61       6.4431     -0.01050
     62       6.9188     -0.00000
     63       7.2595     -0.00000
     64       7.9401     -0.00000
     65       8.8954     -0.00000
     66       8.9846     -0.00000
     67       9.2226     -0.00000
     68       9.9778     -0.00000
     69      10.0488     -0.00000
     70      11.7032      0.00000
     71      11.9110      0.00000
     72      12.1182      0.00000
     73      12.2374      0.00000
     74      12.4575      0.00000
     75      12.8934      0.00000
     76      13.2972      0.00000
     77      13.5658      0.00000
     78      13.8114      0.00000
     79      13.9584      0.00000
     80      14.4591      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.000   0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.025   0.010   0.030   0.010   0.006  -1.172  -0.014  -0.025  -0.041  -0.014   0.019  -0.005  -0.013   0.007   0.357  -0.000
  0.010   3.075  -0.271   0.018  -0.180  -0.014  -1.061   0.225  -0.009   0.143  -0.067   0.012  -0.000   0.172   0.008   0.000
  0.030  -0.271   2.657   0.008  -0.316  -0.025   0.225  -0.700  -0.018   0.233   0.085  -0.036  -0.112  -0.021  -0.004   0.006
  0.010   0.018   0.008   2.947   0.016  -0.041  -0.009  -0.018  -1.110  -0.007  -0.019   0.004   0.010   0.004  -0.021  -0.000
  0.006  -0.180  -0.316   0.016   3.080  -0.014   0.143   0.233  -0.007  -1.018  -0.142   0.068   0.045  -0.009   0.020   0.008
 -1.172  -0.014  -0.025  -0.041  -0.014   1.226   0.017   0.021   0.067   0.019  -0.017   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.061   0.225  -0.009   0.143   0.017   0.980  -0.182   0.002  -0.107   0.061  -0.014  -0.008  -0.137  -0.007   0.000
 -0.025   0.225  -0.700  -0.018   0.233   0.021  -0.182   0.680   0.026  -0.161  -0.093   0.047   0.085   0.025   0.002  -0.002
 -0.041  -0.009  -0.018  -1.110  -0.007   0.067   0.002   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.012   0.000
 -0.014   0.143   0.233  -0.007  -1.018   0.019  -0.107  -0.161   0.001   0.910   0.133  -0.074  -0.049   0.010  -0.016  -0.000
  0.019  -0.067   0.085  -0.019  -0.142  -0.017   0.061  -0.093   0.019   0.133   2.093  -0.312  -0.042   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.014   0.047  -0.006  -0.074  -0.312   0.126   0.060  -0.004   0.002  -0.002
 -0.013  -0.000  -0.112   0.010   0.045   0.012  -0.008   0.085  -0.009  -0.049  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.002   0.010   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.020  -0.290  -0.007   0.002   0.012  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.71: real time    1.71
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.81: real time    3.82
    STRESS:  cpu time    6.63: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.14529   469.14529   469.14529
  Ewald   -2470.91831 -3174.01201 -2710.12605   -22.02374   -22.15884    11.92747
  Hartree   848.78329   345.18841   678.02369   -14.76359    -1.60147     7.59339
  E(xc)    -540.90770  -541.58517  -541.06261    -0.02576    -0.13474     0.01476
  Local    -595.56231   608.85070  -185.86487    36.33148    22.58389   -19.07580
  n-local  -102.86493   -99.62375  -101.57348     0.29733     0.74022    -0.26652
  augment   723.83808   723.30117   723.38071     0.02359     0.11619    -0.04324
  Kinetic  1668.46796  1668.74347  1668.07197     0.16226     0.48798    -0.15521
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.01864     0.00810    -0.00535     0.00158     0.03323    -0.00514
  in kB      -0.11600     0.05042    -0.03327     0.00985     0.20673    -0.03196
  external pressure =       -0.03 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.51
      direct lattice vectors                 reciprocal lattice vectors
     4.099678699 -0.101664945  0.142280446     0.243616742  0.100392386  0.080517160
    -3.910442366  8.753301462  0.917623170     0.002766353  0.115204986  0.002608577
    -2.321177015 -0.106286317  7.155591688    -0.005198783 -0.016769911  0.137815339

  length of vectors
     4.103406502  9.630881490  7.523406936     0.275519076  0.115267715  0.138929208


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.355E+01 -.159E+03 0.250E+02   0.372E+01 0.162E+03 -.253E+02   -.168E+00 -.281E+01 0.298E+00   0.918E-05 -.346E-03 -.913E-04
   0.355E+01 0.159E+03 -.250E+02   -.372E+01 -.162E+03 0.253E+02   0.169E+00 0.281E+01 -.298E+00   -.117E-04 0.350E-03 0.929E-04
   0.332E+01 0.146E+03 0.659E+01   -.341E+01 -.147E+03 -.641E+01   0.883E-01 0.128E+01 -.171E+00   0.585E-04 0.447E-04 0.161E-03
   -.129E+00 -.692E+02 -.431E+02   0.133E+00 0.689E+02 0.439E+02   -.439E-02 0.322E+00 -.840E+00   0.284E-05 0.495E-04 -.341E-03
   0.626E+01 0.981E+02 -.968E+02   -.632E+01 -.993E+02 0.982E+02   0.623E-01 0.126E+01 -.140E+01   0.413E-04 0.169E-04 -.881E-04
   0.411E-01 -.132E-01 0.182E-01   -.410E-01 0.131E-01 -.181E-01   -.880E-03 0.380E-03 -.325E-03   0.752E-05 -.983E-05 -.217E-05
   -.629E+01 -.980E+02 0.967E+02   0.635E+01 0.993E+02 -.981E+02   -.612E-01 -.126E+01 0.140E+01   -.566E-04 -.174E-04 0.745E-04
   -.334E+01 -.146E+03 -.657E+01   0.343E+01 0.147E+03 0.639E+01   -.879E-01 -.128E+01 0.171E+00   -.663E-04 -.559E-04 -.152E-03
   0.136E+00 0.692E+02 0.431E+02   -.141E+00 -.688E+02 -.439E+02   0.433E-02 -.322E+00 0.840E+00   0.671E-05 -.371E-04 0.353E-03
   0.865E-02 -.316E-03 0.197E-03   -.838E-02 0.327E-03 -.186E-03   -.349E-03 0.138E-03 -.546E-04   -.180E-06 0.226E-05 -.467E-06
   0.981E+00 0.962E+01 -.281E+02   -.986E+00 -.943E+01 0.280E+02   0.387E-02 -.187E+00 0.979E-01   0.646E-05 0.199E-04 0.612E-06
   -.985E+00 -.961E+01 0.281E+02   0.990E+00 0.942E+01 -.280E+02   -.390E-02 0.187E+00 -.979E-01   -.601E-05 -.187E-04 0.111E-05
   0.768E+00 -.915E+01 -.204E+02   -.724E+00 0.919E+01 0.202E+02   -.433E-01 -.401E-01 0.270E+00   -.300E-05 -.266E-05 -.158E-04
   -.169E+01 -.620E+02 0.462E+01   0.168E+01 0.619E+02 -.488E+01   0.467E-02 0.640E-01 0.244E+00   0.621E-05 -.982E-05 0.479E-04
   -.767E+00 0.915E+01 0.205E+02   0.724E+00 -.919E+01 -.202E+02   0.431E-01 0.405E-01 -.270E+00   0.310E-05 0.331E-05 0.157E-04
   0.169E+01 0.620E+02 -.463E+01   -.169E+01 -.619E+02 0.488E+01   -.497E-02 -.640E-01 -.244E+00   -.494E-05 0.112E-04 -.518E-04
 -----------------------------------------------------------------------------------------------
   -.460E-03 0.647E-04 -.122E-03   0.600E-14 -.227E-12 -.675E-13   0.497E-03 0.898E-03 0.840E-04   -.692E-05 0.658E-06 0.405E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.07007      6.35642      7.88649        -0.002314      0.004076      0.002508
     -2.91089      8.15364      4.53769         0.002492     -0.004092     -0.002586
     -1.04315      1.16237      4.62622        -0.002969     -0.000227      0.009888
     -2.90204      5.24013      2.40054         0.000028     -0.002898      0.004479
      1.19273      1.83237      0.31317         0.000419     -0.004912      0.003510
     -3.08502      2.92917      5.68217        -0.000706      0.000223     -0.000219
     -0.94216      4.03074      4.03770         0.000324      0.004301     -0.002837
     -1.02740      4.59440      6.88033         0.003503      0.000068     -0.010199
      3.15267      0.62302      1.95045        -0.000310      0.002935     -0.004710
     -5.04015      7.30584      6.14093        -0.000086      0.000091     -0.000042
     -0.84855      3.63478      1.26066        -0.001019     -0.002368     -0.001952
      1.09905      2.22843      3.09026         0.000900      0.002569      0.002050
     -0.85011      6.70132      3.45594        -0.000035      0.001540     -0.004307
     -2.99640      5.53111      5.14219        -0.000262     -0.003929     -0.006421
     -2.80966      7.91513      1.81264        -0.000061     -0.001143      0.004346
      0.92595      0.22560      6.36432         0.000094      0.003767      0.006491
 -----------------------------------------------------------------------------------
    total drift:                                0.000031      0.000963     -0.000034


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87779992 eV

  energy  without entropy=      -49.88275461  energy(sigma->0) =      -49.87945148
 
 d Force = 0.5671284E-04[ 0.592E-05, 0.108E-03]  d Energy = 0.6257999E-04-0.587E-05
 d Force =-0.5802674E+00[-0.585E+00,-0.575E+00]  d Ewald  =-0.1328348E+01 0.748E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.00: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  146.54: real time  147.11


----------------------------------------- Iteration   16(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.61: real time   15.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.75
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.38: real time   17.43

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.2638270E-04  (-0.9142748E-02)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0544379 magnetization 

 Broyden mixing:
  rms(total) = 0.47386E-02    rms(broyden)= 0.47379E-02
  rms(prec ) = 0.64241E-02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.02270728
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45703230
  PAW double counting   =      9486.86846620    -9414.83493772
  entropy T*S    EENTRO =         0.00491790
  eigenvalues    EBANDS =      -338.80024924
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87782626 eV

  energy without entropy =      -49.88274416  energy(sigma->0) =      -49.87946556


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   2)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.02: real time   19.07
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.74: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.79: real time   20.85

 eigenvalue-minimisations  :  8768
 total energy-change (2. order) :-0.5715685E-04  (-0.1150819E-03)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0530455 magnetization 

 Broyden mixing:
  rms(total) = 0.27788E-02    rms(broyden)= 0.27787E-02
  rms(prec ) = 0.37749E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0508
  1.0508

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09125636
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45982674
  PAW double counting   =      9486.88819625    -9414.85291382
  entropy T*S    EENTRO =         0.00493720
  eigenvalues    EBANDS =      -338.73632500
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87788342 eV

  energy without entropy =      -49.88282061  energy(sigma->0) =      -49.87952915


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   3)  ---------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.98: real time   20.04
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.70: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.71: real time   21.77

 eigenvalue-minimisations  :  9360
 total energy-change (2. order) : 0.1852196E-04  (-0.6121698E-05)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529178 magnetization 

 Broyden mixing:
  rms(total) = 0.12596E-02    rms(broyden)= 0.12595E-02
  rms(prec ) = 0.16880E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4326
  0.8581  2.0071

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09167298
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45991708
  PAW double counting   =      9486.90821376    -9414.87340005
  entropy T*S    EENTRO =         0.00493872
  eigenvalues    EBANDS =      -338.73551300
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87786489 eV

  energy without entropy =      -49.88280362  energy(sigma->0) =      -49.87951113


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.84: real time   17.89
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.59: real time   19.65

 eigenvalue-minimisations  :  8048
 total energy-change (2. order) : 0.4785194E-05  (-0.1337103E-05)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0528819 magnetization 

 Broyden mixing:
  rms(total) = 0.41602E-03    rms(broyden)= 0.41601E-03
  rms(prec ) = 0.47519E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3694
  1.9856  0.9479  1.1747

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09410605
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46012894
  PAW double counting   =      9486.82720833    -9414.79297380
  entropy T*S    EENTRO =         0.00494332
  eigenvalues    EBANDS =      -338.73271244
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87786011 eV

  energy without entropy =      -49.88280343  energy(sigma->0) =      -49.87950788


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.17: real time   19.23
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.69: real time    1.70
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.89: real time   20.96

 eigenvalue-minimisations  :  8864
 total energy-change (2. order) : 0.8708776E-07  (-0.1116902E-06)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529230 magnetization 

 Broyden mixing:
  rms(total) = 0.27093E-03    rms(broyden)= 0.27092E-03
  rms(prec ) = 0.28567E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5399
  2.2030  2.2030  0.9489  0.8050

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09257320
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46010583
  PAW double counting   =      9486.79645720    -9414.76236324
  entropy T*S    EENTRO =         0.00494403
  eigenvalues    EBANDS =      -338.73408222
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87786002 eV

  energy without entropy =      -49.88280405  energy(sigma->0) =      -49.87950803


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   13.59: real time   13.63
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   13.62: real time   13.66

 eigenvalue-minimisations  :  5360
 total energy-change (2. order) : 0.3177956E-07  (-0.8276369E-08)
 number of electron     120.0000042 magnetization 
 augmentation part       42.0529230 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.13049117
  Ewald energy   TEWEN  =     -8354.89041490
  -1/2 Hartree   DENC   =     -1872.09284498
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46013893
  PAW double counting   =      9486.76780286    -9414.73383454
  entropy T*S    EENTRO =         0.00494468
  eigenvalues    EBANDS =      -338.73371853
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87785999 eV

  energy without entropy =      -49.88280467  energy(sigma->0) =      -49.87950822


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4589       2 -67.4589       3 -67.5473       4 -67.5093       5 -67.5370
       6 -67.5985       7 -67.5369       8 -67.5474       9 -67.5092      10 -58.8790
      11 -59.0063      12 -59.0064      13 -58.7049      14 -58.7502      15 -58.7050
      16 -58.7502
 
 
 
 E-fermi :   6.0183     XC(G=0): -10.7486     alpha+bet :-12.3649


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9205      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6569      2.00000
      5     -39.6566      2.00000
      6     -39.6172      2.00000
      7     -39.6025      2.00000
      8      -1.9463      2.00000
      9      -0.6535      2.00000
     10      -0.1282      2.00000
     11       0.1667      2.00000
     12       0.2621      2.00000
     13       0.2919      2.00000
     14       0.4323      2.00000
     15       0.5321      2.00000
     16       0.6043      2.00000
     17       0.6298      2.00000
     18       0.6679      2.00000
     19       0.7407      2.00000
     20       0.8921      2.00000
     21       0.9392      2.00000
     22       1.0514      2.00000
     23       1.0956      2.00000
     24       1.1844      2.00000
     25       1.2179      2.00000
     26       1.2813      2.00000
     27       1.3106      2.00000
     28       1.5804      2.00000
     29       1.6498      2.00000
     30       1.7127      2.00000
     31       1.7389      2.00000
     32       1.7908      2.00000
     33       1.9205      2.00000
     34       1.9392      2.00000
     35       2.1487      2.00000
     36       2.1720      2.00000
     37       2.2757      2.00000
     38       2.3097      2.00000
     39       2.4470      2.00000
     40       2.5288      2.00000
     41       2.5855      2.00000
     42       2.6375      2.00000
     43       2.7250      2.00000
     44       2.8671      2.00000
     45       2.8721      2.00000
     46       2.9048      2.00000
     47       2.9997      2.00000
     48       3.0433      2.00000
     49       3.1000      2.00000
     50       3.1300      2.00000
     51       3.3283      2.00000
     52       3.3819      2.00000
     53       3.5001      2.00000
     54       3.5831      2.00000
     55       3.8940      2.00000
     56       4.0708      2.00000
     57       4.2285      2.00000
     58       4.2321      2.00000
     59       4.9515      2.00000
     60       5.6197      2.01635
     61       6.2821     -0.06853
     62       8.1913     -0.00000
     63       8.2935     -0.00000
     64       8.3216     -0.00000
     65       8.9361     -0.00000
     66       9.6690     -0.00000
     67      10.3846     -0.00000
     68      10.7379     -0.00000
     69      11.4822      0.00000
     70      11.7681      0.00000
     71      11.8255      0.00000
     72      12.0571      0.00000
     73      12.2693      0.00000
     74      12.3453      0.00000
     75      12.5157      0.00000
     76      12.7933      0.00000
     77      13.2925      0.00000
     78      13.6646      0.00000
     79      13.7873      0.00000
     80      14.6401      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.6741      2.00000
      9      -0.5760      2.00000
     10      -0.2735      2.00000
     11       0.2590      2.00000
     12       0.2795      2.00000
     13       0.3863      2.00000
     14       0.4633      2.00000
     15       0.5965      2.00000
     16       0.6107      2.00000
     17       0.7296      2.00000
     18       0.8220      2.00000
     19       0.9087      2.00000
     20       0.9331      2.00000
     21       0.9721      2.00000
     22       1.0979      2.00000
     23       1.1161      2.00000
     24       1.1953      2.00000
     25       1.2457      2.00000
     26       1.3480      2.00000
     27       1.3802      2.00000
     28       1.4941      2.00000
     29       1.6272      2.00000
     30       1.6603      2.00000
     31       1.7515      2.00000
     32       1.8210      2.00000
     33       1.8547      2.00000
     34       2.0093      2.00000
     35       2.0344      2.00000
     36       2.1717      2.00000
     37       2.2524      2.00000
     38       2.3600      2.00000
     39       2.4543      2.00000
     40       2.5027      2.00000
     41       2.5637      2.00000
     42       2.6048      2.00000
     43       2.6834      2.00000
     44       2.7336      2.00000
     45       2.8025      2.00000
     46       2.8204      2.00000
     47       2.9229      2.00000
     48       3.0513      2.00000
     49       3.1124      2.00000
     50       3.1949      2.00000
     51       3.2374      2.00000
     52       3.2698      2.00000
     53       3.4167      2.00000
     54       3.6152      2.00000
     55       3.7132      2.00000
     56       3.8492      2.00000
     57       4.0959      2.00000
     58       4.5830      2.00000
     59       5.5122      2.00202
     60       6.2782     -0.06936
     61       6.7937     -0.00000
     62       7.0999     -0.00000
     63       7.7166     -0.00000
     64       8.1639     -0.00000
     65       8.5844     -0.00000
     66       8.7192     -0.00000
     67       9.6377     -0.00000
     68      10.2945     -0.00000
     69      10.6172     -0.00000
     70      10.6615     -0.00000
     71      11.1318     -0.00000
     72      11.7208      0.00000
     73      12.5540      0.00000
     74      12.9452      0.00000
     75      13.2273      0.00000
     76      13.2933      0.00000
     77      13.4792      0.00000
     78      13.8567      0.00000
     79      14.4478      0.00000
     80      14.7135      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0337      2.00000
      9      -0.4152      2.00000
     10      -0.1255      2.00000
     11       0.3188      2.00000
     12       0.4211      2.00000
     13       0.4973      2.00000
     14       0.5846      2.00000
     15       0.6447      2.00000
     16       0.7331      2.00000
     17       0.8376      2.00000
     18       0.9138      2.00000
     19       0.9946      2.00000
     20       1.0402      2.00000
     21       1.0743      2.00000
     22       1.1722      2.00000
     23       1.2279      2.00000
     24       1.2791      2.00000
     25       1.3075      2.00000
     26       1.3565      2.00000
     27       1.4536      2.00000
     28       1.5514      2.00000
     29       1.6050      2.00000
     30       1.7248      2.00000
     31       1.8125      2.00000
     32       1.8576      2.00000
     33       1.9581      2.00000
     34       2.0154      2.00000
     35       2.1096      2.00000
     36       2.1230      2.00000
     37       2.1885      2.00000
     38       2.2531      2.00000
     39       2.3054      2.00000
     40       2.4004      2.00000
     41       2.4887      2.00000
     42       2.5374      2.00000
     43       2.6541      2.00000
     44       2.6934      2.00000
     45       2.7431      2.00000
     46       2.7947      2.00000
     47       2.8388      2.00000
     48       2.9239      2.00000
     49       3.0127      2.00000
     50       3.0983      2.00000
     51       3.1423      2.00000
     52       3.2350      2.00000
     53       3.3617      2.00000
     54       3.4572      2.00000
     55       3.5809      2.00000
     56       3.8201      2.00000
     57       4.6137      2.00000
     58       5.0078      2.00000
     59       5.4445      2.00038
     60       5.7867      2.06943
     61       6.4817     -0.00505
     62       6.8374     -0.00000
     63       6.9850     -0.00000
     64       7.5270     -0.00000
     65       7.9949     -0.00000
     66       8.3453     -0.00000
     67       8.6858     -0.00000
     68       9.4198     -0.00000
     69       9.8053     -0.00000
     70      10.3533     -0.00000
     71      10.4743     -0.00000
     72      10.7880     -0.00000
     73      11.4094     -0.00000
     74      12.1883      0.00000
     75      13.1266      0.00000
     76      13.6931      0.00000
     77      13.7584      0.00000
     78      13.8772      0.00000
     79      14.2860      0.00000
     80      14.6924      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3922      2.00000
      9      -0.1113      2.00000
     10       0.0907      2.00000
     11       0.1613      2.00000
     12       0.4829      2.00000
     13       0.5082      2.00000
     14       0.5582      2.00000
     15       0.6332      2.00000
     16       0.8250      2.00000
     17       0.9161      2.00000
     18       0.9315      2.00000
     19       1.1112      2.00000
     20       1.1676      2.00000
     21       1.1840      2.00000
     22       1.2642      2.00000
     23       1.3702      2.00000
     24       1.3897      2.00000
     25       1.4044      2.00000
     26       1.4772      2.00000
     27       1.5160      2.00000
     28       1.6438      2.00000
     29       1.6826      2.00000
     30       1.7324      2.00000
     31       1.8032      2.00000
     32       1.9104      2.00000
     33       1.9553      2.00000
     34       2.0617      2.00000
     35       2.1461      2.00000
     36       2.1633      2.00000
     37       2.1832      2.00000
     38       2.2789      2.00000
     39       2.3137      2.00000
     40       2.3713      2.00000
     41       2.4621      2.00000
     42       2.4804      2.00000
     43       2.5484      2.00000
     44       2.6391      2.00000
     45       2.6707      2.00000
     46       2.7578      2.00000
     47       2.8020      2.00000
     48       2.8401      2.00000
     49       2.9231      2.00000
     50       3.0599      2.00000
     51       3.1633      2.00000
     52       3.2685      2.00000
     53       3.3637      2.00000
     54       3.5551      2.00000
     55       3.6382      2.00000
     56       3.8240      2.00000
     57       4.1482      2.00000
     58       4.2969      2.00000
     59       5.1362      2.00000
     60       5.8638      1.96535
     61       6.0515      0.72329
     62       6.1750      0.02877
     63       6.8172     -0.00000
     64       7.0782     -0.00000
     65       7.6677     -0.00000
     66       8.2151     -0.00000
     67       8.4844     -0.00000
     68       8.8333     -0.00000
     69       9.4864     -0.00000
     70       9.7764     -0.00000
     71      10.5257     -0.00000
     72      10.9671     -0.00000
     73      11.1362     -0.00000
     74      11.7861      0.00000
     75      12.2802      0.00000
     76      12.7652      0.00000
     77      13.4090      0.00000
     78      13.7796      0.00000
     79      13.9611      0.00000
     80      14.6489      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4467      2.00000
      9      -0.1807      2.00000
     10       0.0365      2.00000
     11       0.1352      2.00000
     12       0.5028      2.00000
     13       0.5250      2.00000
     14       0.7025      2.00000
     15       0.7394      2.00000
     16       0.8723      2.00000
     17       0.9121      2.00000
     18       0.9886      2.00000
     19       1.0666      2.00000
     20       1.0866      2.00000
     21       1.2394      2.00000
     22       1.2756      2.00000
     23       1.3271      2.00000
     24       1.3846      2.00000
     25       1.3932      2.00000
     26       1.4462      2.00000
     27       1.4930      2.00000
     28       1.6667      2.00000
     29       1.6992      2.00000
     30       1.7449      2.00000
     31       1.8020      2.00000
     32       1.8787      2.00000
     33       1.9047      2.00000
     34       2.0433      2.00000
     35       2.0824      2.00000
     36       2.1452      2.00000
     37       2.1618      2.00000
     38       2.2306      2.00000
     39       2.3386      2.00000
     40       2.4408      2.00000
     41       2.4636      2.00000
     42       2.5413      2.00000
     43       2.5824      2.00000
     44       2.6265      2.00000
     45       2.6751      2.00000
     46       2.7323      2.00000
     47       2.8089      2.00000
     48       2.8479      2.00000
     49       2.9087      2.00000
     50       3.0980      2.00000
     51       3.1807      2.00000
     52       3.2062      2.00000
     53       3.5188      2.00000
     54       3.5517      2.00000
     55       3.7419      2.00000
     56       4.2019      2.00000
     57       4.3922      2.00000
     58       4.5657      2.00000
     59       4.7233      2.00000
     60       5.1856      2.00000
     61       5.6190      2.01617
     62       6.0839      0.47700
     63       6.1009      0.36313
     64       7.1037     -0.00000
     65       8.2635     -0.00000
     66       8.3968     -0.00000
     67       8.9081     -0.00000
     68       9.1535     -0.00000
     69       9.2530     -0.00000
     70       9.9627     -0.00000
     71      10.4669     -0.00000
     72      10.5985     -0.00000
     73      11.3551     -0.00000
     74      11.9244      0.00000
     75      12.5773      0.00000
     76      13.1553      0.00000
     77      13.5172      0.00000
     78      13.8798      0.00000
     79      14.1324      0.00000
     80      14.4505      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1641      2.00000
      9      -0.4823      2.00000
     10       0.0236      2.00000
     11       0.1458      2.00000
     12       0.5186      2.00000
     13       0.5867      2.00000
     14       0.6480      2.00000
     15       0.6864      2.00000
     16       0.8194      2.00000
     17       0.8341      2.00000
     18       0.8693      2.00000
     19       0.9571      2.00000
     20       1.0865      2.00000
     21       1.1270      2.00000
     22       1.1849      2.00000
     23       1.2069      2.00000
     24       1.3032      2.00000
     25       1.3374      2.00000
     26       1.3940      2.00000
     27       1.4442      2.00000
     28       1.4754      2.00000
     29       1.6360      2.00000
     30       1.7363      2.00000
     31       1.7622      2.00000
     32       1.8393      2.00000
     33       1.9004      2.00000
     34       1.9604      2.00000
     35       2.0565      2.00000
     36       2.1588      2.00000
     37       2.2258      2.00000
     38       2.2947      2.00000
     39       2.3619      2.00000
     40       2.4405      2.00000
     41       2.5179      2.00000
     42       2.5563      2.00000
     43       2.6029      2.00000
     44       2.6578      2.00000
     45       2.7679      2.00000
     46       2.7914      2.00000
     47       2.8751      2.00000
     48       2.8881      2.00000
     49       3.0465      2.00000
     50       3.0898      2.00000
     51       3.1364      2.00000
     52       3.2085      2.00000
     53       3.3178      2.00000
     54       3.5305      2.00000
     55       3.6996      2.00000
     56       4.0999      2.00000
     57       4.4553      2.00000
     58       4.8476      2.00000
     59       5.4948      2.00135
     60       5.7024      2.04801
     61       6.0814      0.49486
     62       6.3623     -0.03539
     63       6.9674     -0.00000
     64       7.1847     -0.00000
     65       7.5820     -0.00000
     66       8.2239     -0.00000
     67       8.9796     -0.00000
     68       9.2525     -0.00000
     69      10.2387     -0.00000
     70      11.0402     -0.00000
     71      11.3138     -0.00000
     72      11.6841      0.00000
     73      12.1238      0.00000
     74      12.3691      0.00000
     75      12.7906      0.00000
     76      13.4238      0.00000
     77      13.6318      0.00000
     78      13.9004      0.00000
     79      14.2893      0.00000
     80      14.4110      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.7581      2.00000
      9      -0.6377      2.00000
     10       0.0396      2.00000
     11       0.1781      2.00000
     12       0.3289      2.00000
     13       0.3362      2.00000
     14       0.4036      2.00000
     15       0.6242      2.00000
     16       0.6418      2.00000
     17       0.7314      2.00000
     18       0.8105      2.00000
     19       0.8833      2.00000
     20       0.9066      2.00000
     21       1.0591      2.00000
     22       1.0636      2.00000
     23       1.1497      2.00000
     24       1.2158      2.00000
     25       1.2756      2.00000
     26       1.3002      2.00000
     27       1.3305      2.00000
     28       1.4610      2.00000
     29       1.6626      2.00000
     30       1.6810      2.00000
     31       1.7687      2.00000
     32       1.8292      2.00000
     33       1.9019      2.00000
     34       1.9222      2.00000
     35       2.0769      2.00000
     36       2.1540      2.00000
     37       2.2844      2.00000
     38       2.3331      2.00000
     39       2.3814      2.00000
     40       2.4842      2.00000
     41       2.5193      2.00000
     42       2.6181      2.00000
     43       2.7388      2.00000
     44       2.7952      2.00000
     45       2.8252      2.00000
     46       2.8704      2.00000
     47       2.9329      2.00000
     48       3.0232      2.00000
     49       3.0902      2.00000
     50       3.1246      2.00000
     51       3.2077      2.00000
     52       3.2654      2.00000
     53       3.4345      2.00000
     54       3.6780      2.00000
     55       3.7919      2.00000
     56       3.9473      2.00000
     57       4.1215      2.00000
     58       4.8581      2.00000
     59       5.0448      2.00000
     60       5.5616      2.00577
     61       6.7239     -0.00001
     62       7.1763     -0.00000
     63       7.7277     -0.00000
     64       8.2266     -0.00000
     65       8.6989     -0.00000
     66       8.9785     -0.00000
     67       9.3894     -0.00000
     68      10.1919     -0.00000
     69      10.7687     -0.00000
     70      10.8293     -0.00000
     71      11.4126     -0.00000
     72      12.4724      0.00000
     73      12.8938      0.00000
     74      13.0711      0.00000
     75      13.2659      0.00000
     76      13.4417      0.00000
     77      13.8067      0.00000
     78      13.8767      0.00000
     79      14.3088      0.00000
     80      14.4215      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6570      2.00000
      5     -39.6565      2.00000
      6     -39.6172      2.00000
      7     -39.6025      2.00000
      8      -1.8659      2.00000
      9      -0.8996      2.00000
     10      -0.0331      2.00000
     11       0.1598      2.00000
     12       0.2094      2.00000
     13       0.2940      2.00000
     14       0.4256      2.00000
     15       0.5785      2.00000
     16       0.6085      2.00000
     17       0.6205      2.00000
     18       0.6857      2.00000
     19       0.7706      2.00000
     20       0.8412      2.00000
     21       0.9336      2.00000
     22       1.0357      2.00000
     23       1.0774      2.00000
     24       1.2472      2.00000
     25       1.2952      2.00000
     26       1.3922      2.00000
     27       1.4158      2.00000
     28       1.5884      2.00000
     29       1.6052      2.00000
     30       1.6475      2.00000
     31       1.7030      2.00000
     32       1.8030      2.00000
     33       1.8827      2.00000
     34       1.9423      2.00000
     35       2.1663      2.00000
     36       2.2216      2.00000
     37       2.2320      2.00000
     38       2.2927      2.00000
     39       2.4414      2.00000
     40       2.4985      2.00000
     41       2.6199      2.00000
     42       2.6593      2.00000
     43       2.6663      2.00000
     44       2.8177      2.00000
     45       2.8386      2.00000
     46       2.8838      2.00000
     47       2.9056      2.00000
     48       3.0582      2.00000
     49       3.1070      2.00000
     50       3.1462      2.00000
     51       3.3202      2.00000
     52       3.3636      2.00000
     53       3.4561      2.00000
     54       3.6319      2.00000
     55       3.9580      2.00000
     56       4.2207      2.00000
     57       4.2300      2.00000
     58       4.3458      2.00000
     59       4.8929      2.00000
     60       6.2822     -0.06849
     61       6.4939     -0.00393
     62       6.9249     -0.00000
     63       7.1937     -0.00000
     64       8.8160     -0.00000
     65       9.5503     -0.00000
     66       9.7096     -0.00000
     67       9.8963     -0.00000
     68      10.9892     -0.00000
     69      11.1977     -0.00000
     70      11.2871     -0.00000
     71      11.4551     -0.00000
     72      12.3099      0.00000
     73      12.6892      0.00000
     74      13.1316      0.00000
     75      13.3922      0.00000
     76      13.5256      0.00000
     77      13.8229      0.00000
     78      13.9903      0.00000
     79      14.2726      0.00000
     80      14.5304      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5854      2.00000
      9      -0.8191      2.00000
     10      -0.1496      2.00000
     11       0.2251      2.00000
     12       0.2621      2.00000
     13       0.4229      2.00000
     14       0.4999      2.00000
     15       0.5725      2.00000
     16       0.6172      2.00000
     17       0.6862      2.00000
     18       0.7840      2.00000
     19       0.8851      2.00000
     20       0.9553      2.00000
     21       0.9809      2.00000
     22       1.0498      2.00000
     23       1.1533      2.00000
     24       1.2123      2.00000
     25       1.2928      2.00000
     26       1.3665      2.00000
     27       1.3990      2.00000
     28       1.5273      2.00000
     29       1.5624      2.00000
     30       1.6174      2.00000
     31       1.6698      2.00000
     32       1.8873      2.00000
     33       1.9665      2.00000
     34       2.0177      2.00000
     35       2.1585      2.00000
     36       2.1843      2.00000
     37       2.2660      2.00000
     38       2.3146      2.00000
     39       2.3631      2.00000
     40       2.3870      2.00000
     41       2.4470      2.00000
     42       2.6536      2.00000
     43       2.6692      2.00000
     44       2.7712      2.00000
     45       2.7895      2.00000
     46       2.8386      2.00000
     47       2.9808      2.00000
     48       3.0090      2.00000
     49       3.1151      2.00000
     50       3.1766      2.00000
     51       3.1858      2.00000
     52       3.3046      2.00000
     53       3.4567      2.00000
     54       3.6465      2.00000
     55       3.6991      2.00000
     56       3.8886      2.00000
     57       4.4338      2.00000
     58       4.9015      2.00000
     59       5.5413      2.00381
     60       5.8572      1.98287
     61       6.5044     -0.00315
     62       7.0414     -0.00000
     63       7.5203     -0.00000
     64       8.0694     -0.00000
     65       8.3106     -0.00000
     66       8.9191     -0.00000
     67       9.4019     -0.00000
     68       9.6675     -0.00000
     69      10.4599     -0.00000
     70      12.0051      0.00000
     71      12.3047      0.00000
     72      12.3949      0.00000
     73      12.5562      0.00000
     74      12.7185      0.00000
     75      12.8471      0.00000
     76      13.3234      0.00000
     77      13.6018      0.00000
     78      13.9215      0.00000
     79      14.0037      0.00000
     80      14.4144      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6054      2.00000
      8      -1.0294      2.00000
      9      -0.3881      2.00000
     10      -0.1357      2.00000
     11       0.3188      2.00000
     12       0.3954      2.00000
     13       0.4933      2.00000
     14       0.5301      2.00000
     15       0.6703      2.00000
     16       0.7786      2.00000
     17       0.8117      2.00000
     18       0.9290      2.00000
     19       0.9392      2.00000
     20       1.0250      2.00000
     21       1.0709      2.00000
     22       1.1602      2.00000
     23       1.2146      2.00000
     24       1.3027      2.00000
     25       1.3504      2.00000
     26       1.4090      2.00000
     27       1.4748      2.00000
     28       1.5448      2.00000
     29       1.6111      2.00000
     30       1.7507      2.00000
     31       1.8221      2.00000
     32       1.8847      2.00000
     33       1.9217      2.00000
     34       1.9867      2.00000
     35       2.0402      2.00000
     36       2.0811      2.00000
     37       2.1347      2.00000
     38       2.2121      2.00000
     39       2.3108      2.00000
     40       2.4633      2.00000
     41       2.5002      2.00000
     42       2.5613      2.00000
     43       2.6216      2.00000
     44       2.6814      2.00000
     45       2.7943      2.00000
     46       2.8200      2.00000
     47       2.8726      2.00000
     48       2.9194      2.00000
     49       2.9710      2.00000
     50       3.0817      2.00000
     51       3.1695      2.00000
     52       3.2452      2.00000
     53       3.2817      2.00000
     54       3.4676      2.00000
     55       3.6064      2.00000
     56       4.0071      2.00000
     57       4.4748      2.00000
     58       5.2545      2.00000
     59       5.6781      2.03699
     60       5.8998      1.83321
     61       6.2906     -0.06618
     62       6.5213     -0.00216
     63       6.6967     -0.00002
     64       7.4401     -0.00000
     65       7.6870     -0.00000
     66       8.1040     -0.00000
     67       9.1339     -0.00000
     68       9.8264     -0.00000
     69       9.9452     -0.00000
     70      10.1185     -0.00000
     71      11.0971     -0.00000
     72      11.1851     -0.00000
     73      11.7645      0.00000
     74      12.0737      0.00000
     75      12.4190      0.00000
     76      12.7696      0.00000
     77      13.2898      0.00000
     78      13.6691      0.00000
     79      14.0638      0.00000
     80      14.4145      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3927      2.00000
      9      -0.0891      2.00000
     10       0.0693      2.00000
     11       0.1427      2.00000
     12       0.4139      2.00000
     13       0.5155      2.00000
     14       0.6031      2.00000
     15       0.7115      2.00000
     16       0.8487      2.00000
     17       0.9017      2.00000
     18       0.9114      2.00000
     19       1.0939      2.00000
     20       1.1498      2.00000
     21       1.1799      2.00000
     22       1.2436      2.00000
     23       1.3133      2.00000
     24       1.3989      2.00000
     25       1.4592      2.00000
     26       1.4906      2.00000
     27       1.5944      2.00000
     28       1.6656      2.00000
     29       1.7094      2.00000
     30       1.7289      2.00000
     31       1.8329      2.00000
     32       1.8778      2.00000
     33       1.9574      2.00000
     34       1.9793      2.00000
     35       2.0712      2.00000
     36       2.1202      2.00000
     37       2.2330      2.00000
     38       2.2992      2.00000
     39       2.3457      2.00000
     40       2.3871      2.00000
     41       2.4543      2.00000
     42       2.5105      2.00000
     43       2.5240      2.00000
     44       2.6239      2.00000
     45       2.6893      2.00000
     46       2.7298      2.00000
     47       2.7923      2.00000
     48       2.8431      2.00000
     49       2.8700      2.00000
     50       3.0672      2.00000
     51       3.1388      2.00000
     52       3.2680      2.00000
     53       3.3238      2.00000
     54       3.4795      2.00000
     55       3.5866      2.00000
     56       3.7321      2.00000
     57       4.4112      2.00000
     58       4.7754      2.00000
     59       5.1263      2.00000
     60       5.6599      2.02947
     61       5.9459      1.57076
     62       6.2079     -0.03764
     63       6.5160     -0.00244
     64       6.7333     -0.00001
     65       7.7432     -0.00000
     66       8.0504     -0.00000
     67       8.5106     -0.00000
     68       9.3073     -0.00000
     69       9.7459     -0.00000
     70      10.1762     -0.00000
     71      10.8589     -0.00000
     72      10.9713     -0.00000
     73      11.3753     -0.00000
     74      11.5872      0.00000
     75      12.1245      0.00000
     76      12.4590      0.00000
     77      13.1271      0.00000
     78      13.4200      0.00000
     79      14.0168      0.00000
     80      14.2839      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4436      2.00000
      9      -0.1569      2.00000
     10      -0.0396      2.00000
     11       0.1342      2.00000
     12       0.5461      2.00000
     13       0.6627      2.00000
     14       0.6979      2.00000
     15       0.7271      2.00000
     16       0.7962      2.00000
     17       0.8805      2.00000
     18       0.9521      2.00000
     19       1.0804      2.00000
     20       1.1045      2.00000
     21       1.1364      2.00000
     22       1.2592      2.00000
     23       1.3345      2.00000
     24       1.3652      2.00000
     25       1.3894      2.00000
     26       1.5405      2.00000
     27       1.5845      2.00000
     28       1.6664      2.00000
     29       1.7121      2.00000
     30       1.7605      2.00000
     31       1.8140      2.00000
     32       1.8541      2.00000
     33       1.9586      2.00000
     34       2.0004      2.00000
     35       2.0899      2.00000
     36       2.1598      2.00000
     37       2.2387      2.00000
     38       2.3249      2.00000
     39       2.3377      2.00000
     40       2.4460      2.00000
     41       2.4665      2.00000
     42       2.4923      2.00000
     43       2.5182      2.00000
     44       2.5621      2.00000
     45       2.5791      2.00000
     46       2.7211      2.00000
     47       2.7578      2.00000
     48       2.8103      2.00000
     49       2.8801      2.00000
     50       3.1245      2.00000
     51       3.1619      2.00000
     52       3.2860      2.00000
     53       3.5087      2.00000
     54       3.5716      2.00000
     55       3.6440      2.00000
     56       4.0687      2.00000
     57       4.4075      2.00000
     58       4.5161      2.00000
     59       5.0049      2.00000
     60       5.1460      2.00000
     61       5.8146      2.05394
     62       6.1407      0.14966
     63       6.5084     -0.00288
     64       7.1544     -0.00000
     65       7.2556     -0.00000
     66       7.7673     -0.00000
     67       8.3280     -0.00000
     68       9.5450     -0.00000
     69       9.9786     -0.00000
     70      10.5771     -0.00000
     71      10.9988     -0.00000
     72      11.2552     -0.00000
     73      11.7954      0.00000
     74      12.0327      0.00000
     75      12.2633      0.00000
     76      12.8776      0.00000
     77      13.1385      0.00000
     78      13.3234      0.00000
     79      14.1329      0.00000
     80      14.3288      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6565      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.2098      2.00000
      9      -0.3469      2.00000
     10      -0.0787      2.00000
     11       0.1042      2.00000
     12       0.5468      2.00000
     13       0.5711      2.00000
     14       0.6357      2.00000
     15       0.7115      2.00000
     16       0.8427      2.00000
     17       0.8758      2.00000
     18       0.9422      2.00000
     19       1.0020      2.00000
     20       1.0811      2.00000
     21       1.1077      2.00000
     22       1.1716      2.00000
     23       1.2436      2.00000
     24       1.2607      2.00000
     25       1.3175      2.00000
     26       1.3842      2.00000
     27       1.3908      2.00000
     28       1.5500      2.00000
     29       1.6742      2.00000
     30       1.6982      2.00000
     31       1.8130      2.00000
     32       1.8816      2.00000
     33       1.9277      2.00000
     34       2.0044      2.00000
     35       2.0210      2.00000
     36       2.0532      2.00000
     37       2.1582      2.00000
     38       2.2038      2.00000
     39       2.3975      2.00000
     40       2.4378      2.00000
     41       2.4901      2.00000
     42       2.5380      2.00000
     43       2.6152      2.00000
     44       2.6600      2.00000
     45       2.7663      2.00000
     46       2.8529      2.00000
     47       2.8826      2.00000
     48       2.9176      2.00000
     49       3.0197      2.00000
     50       3.0527      2.00000
     51       3.1009      2.00000
     52       3.1894      2.00000
     53       3.2818      2.00000
     54       3.5270      2.00000
     55       3.6513      2.00000
     56       4.0038      2.00000
     57       4.3334      2.00000
     58       5.3229      2.00001
     59       5.4747      2.00083
     60       5.6635      2.03089
     61       5.8391      2.02148
     62       6.6311     -0.00013
     63       6.9557     -0.00000
     64       7.4553     -0.00000
     65       7.8307     -0.00000
     66       7.8965     -0.00000
     67       8.4559     -0.00000
     68       9.6974     -0.00000
     69       9.9872     -0.00000
     70      10.4211     -0.00000
     71      11.7482      0.00000
     72      12.2424      0.00000
     73      12.5555      0.00000
     74      12.8818      0.00000
     75      13.0831      0.00000
     76      13.3931      0.00000
     77      13.4528      0.00000
     78      13.5413      0.00000
     79      13.8819      0.00000
     80      14.1037      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.7453      2.00000
      9      -0.6729      2.00000
     10       0.0101      2.00000
     11       0.2310      2.00000
     12       0.3189      2.00000
     13       0.3390      2.00000
     14       0.4029      2.00000
     15       0.6253      2.00000
     16       0.6378      2.00000
     17       0.7162      2.00000
     18       0.8086      2.00000
     19       0.8741      2.00000
     20       0.9545      2.00000
     21       1.0166      2.00000
     22       1.0846      2.00000
     23       1.1515      2.00000
     24       1.2263      2.00000
     25       1.2579      2.00000
     26       1.3326      2.00000
     27       1.3968      2.00000
     28       1.4376      2.00000
     29       1.6028      2.00000
     30       1.6784      2.00000
     31       1.7227      2.00000
     32       1.8231      2.00000
     33       1.8758      2.00000
     34       1.9546      2.00000
     35       2.1306      2.00000
     36       2.1925      2.00000
     37       2.2558      2.00000
     38       2.3084      2.00000
     39       2.3962      2.00000
     40       2.5129      2.00000
     41       2.5357      2.00000
     42       2.6090      2.00000
     43       2.7216      2.00000
     44       2.7580      2.00000
     45       2.8002      2.00000
     46       2.8811      2.00000
     47       2.9632      2.00000
     48       2.9955      2.00000
     49       3.1174      2.00000
     50       3.1568      2.00000
     51       3.2075      2.00000
     52       3.2856      2.00000
     53       3.4315      2.00000
     54       3.6289      2.00000
     55       3.7790      2.00000
     56       3.9512      2.00000
     57       4.1549      2.00000
     58       4.5078      2.00000
     59       5.2781      2.00000
     60       6.0581      0.67036
     61       6.5834     -0.00048
     62       6.9939     -0.00000
     63       7.7940     -0.00000
     64       8.0694     -0.00000
     65       8.3267     -0.00000
     66       8.7174     -0.00000
     67       9.6816     -0.00000
     68      10.4548     -0.00000
     69      10.9109     -0.00000
     70      11.0348     -0.00000
     71      11.3040     -0.00000
     72      12.5010      0.00000
     73      12.8790      0.00000
     74      13.0370      0.00000
     75      13.1607      0.00000
     76      13.4999      0.00000
     77      13.5852      0.00000
     78      13.9413      0.00000
     79      14.3477      0.00000
     80      14.4774      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6172      2.00000
      7     -39.6025      2.00000
      8      -1.8583      2.00000
      9      -0.9357      2.00000
     10       0.0365      2.00000
     11       0.1677      2.00000
     12       0.2053      2.00000
     13       0.2884      2.00000
     14       0.4187      2.00000
     15       0.5904      2.00000
     16       0.6102      2.00000
     17       0.6201      2.00000
     18       0.6874      2.00000
     19       0.7204      2.00000
     20       0.8386      2.00000
     21       0.9473      2.00000
     22       1.0855      2.00000
     23       1.1003      2.00000
     24       1.1978      2.00000
     25       1.2676      2.00000
     26       1.3494      2.00000
     27       1.3617      2.00000
     28       1.5510      2.00000
     29       1.6482      2.00000
     30       1.6899      2.00000
     31       1.7082      2.00000
     32       1.7992      2.00000
     33       1.8662      2.00000
     34       1.8955      2.00000
     35       2.1225      2.00000
     36       2.2158      2.00000
     37       2.2520      2.00000
     38       2.3857      2.00000
     39       2.4325      2.00000
     40       2.5256      2.00000
     41       2.5903      2.00000
     42       2.6201      2.00000
     43       2.6766      2.00000
     44       2.8466      2.00000
     45       2.8673      2.00000
     46       2.9833      2.00000
     47       3.0440      2.00000
     48       3.0537      2.00000
     49       3.1249      2.00000
     50       3.1894      2.00000
     51       3.2751      2.00000
     52       3.3132      2.00000
     53       3.5407      2.00000
     54       3.6470      2.00000
     55       3.9172      2.00000
     56       3.9385      2.00000
     57       4.2147      2.00000
     58       4.4050      2.00000
     59       5.0013      2.00000
     60       5.5977      2.01130
     61       6.2231     -0.05483
     62       7.7527     -0.00000
     63       8.1709     -0.00000
     64       8.6133     -0.00000
     65       8.6468     -0.00000
     66       9.7746     -0.00000
     67      10.3945     -0.00000
     68      10.5928     -0.00000
     69      10.8093     -0.00000
     70      11.2535     -0.00000
     71      11.7417      0.00000
     72      12.4658      0.00000
     73      12.7236      0.00000
     74      12.8235      0.00000
     75      13.1413      0.00000
     76      13.2469      0.00000
     77      13.6843      0.00000
     78      14.4271      0.00000
     79      14.4910      0.00000
     80      14.5579      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6568      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.6569      2.00000
      9      -0.6545      2.00000
     10      -0.2091      2.00000
     11       0.2439      2.00000
     12       0.2896      2.00000
     13       0.4323      2.00000
     14       0.4377      2.00000
     15       0.5869      2.00000
     16       0.6306      2.00000
     17       0.7231      2.00000
     18       0.7783      2.00000
     19       0.8720      2.00000
     20       0.9368      2.00000
     21       0.9817      2.00000
     22       1.0778      2.00000
     23       1.1420      2.00000
     24       1.1749      2.00000
     25       1.2496      2.00000
     26       1.3609      2.00000
     27       1.3752      2.00000
     28       1.4942      2.00000
     29       1.6222      2.00000
     30       1.6439      2.00000
     31       1.7419      2.00000
     32       1.8761      2.00000
     33       1.8962      2.00000
     34       1.9971      2.00000
     35       2.0765      2.00000
     36       2.1773      2.00000
     37       2.2394      2.00000
     38       2.3193      2.00000
     39       2.4004      2.00000
     40       2.4734      2.00000
     41       2.5647      2.00000
     42       2.6327      2.00000
     43       2.7212      2.00000
     44       2.7642      2.00000
     45       2.8190      2.00000
     46       2.8505      2.00000
     47       2.9296      2.00000
     48       3.0197      2.00000
     49       3.0764      2.00000
     50       3.1413      2.00000
     51       3.2243      2.00000
     52       3.2575      2.00000
     53       3.5450      2.00000
     54       3.6703      2.00000
     55       3.7428      2.00000
     56       3.8107      2.00000
     57       4.0992      2.00000
     58       4.9362      2.00000
     59       5.0779      2.00000
     60       5.8213      2.04704
     61       6.8064     -0.00000
     62       7.1825     -0.00000
     63       7.7755     -0.00000
     64       8.6841     -0.00000
     65       8.9429     -0.00000
     66       9.1216     -0.00000
     67       9.4566     -0.00000
     68       9.6236     -0.00000
     69       9.7880     -0.00000
     70      10.9397     -0.00000
     71      11.5619      0.00000
     72      12.1327      0.00000
     73      12.3252      0.00000
     74      12.4761      0.00000
     75      13.1579      0.00000
     76      13.2974      0.00000
     77      13.6898      0.00000
     78      14.0807      0.00000
     79      14.3964      0.00000
     80      14.5341      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6565      2.00000
      6     -39.6147      2.00000
      7     -39.6054      2.00000
      8      -1.0768      2.00000
      9      -0.2697      2.00000
     10      -0.2112      2.00000
     11       0.2591      2.00000
     12       0.4245      2.00000
     13       0.5216      2.00000
     14       0.5575      2.00000
     15       0.6769      2.00000
     16       0.7885      2.00000
     17       0.8335      2.00000
     18       0.9107      2.00000
     19       1.0021      2.00000
     20       1.0911      2.00000
     21       1.0993      2.00000
     22       1.1467      2.00000
     23       1.1973      2.00000
     24       1.2292      2.00000
     25       1.2747      2.00000
     26       1.3564      2.00000
     27       1.4934      2.00000
     28       1.5801      2.00000
     29       1.6364      2.00000
     30       1.6625      2.00000
     31       1.8187      2.00000
     32       1.8397      2.00000
     33       1.9961      2.00000
     34       2.0043      2.00000
     35       2.0656      2.00000
     36       2.1672      2.00000
     37       2.2044      2.00000
     38       2.2451      2.00000
     39       2.2980      2.00000
     40       2.3722      2.00000
     41       2.5079      2.00000
     42       2.6281      2.00000
     43       2.6547      2.00000
     44       2.7201      2.00000
     45       2.7584      2.00000
     46       2.8019      2.00000
     47       2.8358      2.00000
     48       2.9309      2.00000
     49       2.9509      2.00000
     50       3.0939      2.00000
     51       3.1184      2.00000
     52       3.2069      2.00000
     53       3.4118      2.00000
     54       3.4934      2.00000
     55       3.5861      2.00000
     56       3.6851      2.00000
     57       4.4236      2.00000
     58       4.7948      2.00000
     59       5.4319      2.00027
     60       5.9916      1.22374
     61       6.6011     -0.00030
     62       6.9380     -0.00000
     63       7.0313     -0.00000
     64       7.3307     -0.00000
     65       8.2603     -0.00000
     66       8.5033     -0.00000
     67       8.8284     -0.00000
     68       9.3331     -0.00000
     69       9.9697     -0.00000
     70      10.1786     -0.00000
     71      10.3267     -0.00000
     72      11.0777     -0.00000
     73      11.7724      0.00000
     74      12.1335      0.00000
     75      12.3045      0.00000
     76      12.9699      0.00000
     77      13.7668      0.00000
     78      13.8213      0.00000
     79      14.0889      0.00000
     80      14.2182      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3674      2.00000
      9      -0.1443      2.00000
     10       0.0797      2.00000
     11       0.1444      2.00000
     12       0.4552      2.00000
     13       0.5633      2.00000
     14       0.6362      2.00000
     15       0.6851      2.00000
     16       0.7318      2.00000
     17       0.8904      2.00000
     18       0.9457      2.00000
     19       1.0636      2.00000
     20       1.1474      2.00000
     21       1.1783      2.00000
     22       1.2136      2.00000
     23       1.3230      2.00000
     24       1.3775      2.00000
     25       1.4694      2.00000
     26       1.5350      2.00000
     27       1.5654      2.00000
     28       1.6341      2.00000
     29       1.7132      2.00000
     30       1.7800      2.00000
     31       1.8453      2.00000
     32       1.9074      2.00000
     33       1.9409      2.00000
     34       2.0860      2.00000
     35       2.1465      2.00000
     36       2.1533      2.00000
     37       2.2494      2.00000
     38       2.2605      2.00000
     39       2.3328      2.00000
     40       2.3732      2.00000
     41       2.4160      2.00000
     42       2.5094      2.00000
     43       2.5590      2.00000
     44       2.5948      2.00000
     45       2.6147      2.00000
     46       2.6874      2.00000
     47       2.7728      2.00000
     48       2.7922      2.00000
     49       2.8769      2.00000
     50       3.0695      2.00000
     51       3.1292      2.00000
     52       3.1847      2.00000
     53       3.3648      2.00000
     54       3.5325      2.00000
     55       3.6260      2.00000
     56       3.8834      2.00000
     57       4.3675      2.00000
     58       4.7224      2.00000
     59       5.0996      2.00000
     60       5.6347      2.02063
     61       5.6911      2.04280
     62       6.1975     -0.02135
     63       6.6450     -0.00009
     64       7.0052     -0.00000
     65       7.5005     -0.00000
     66       7.8698     -0.00000
     67       8.9887     -0.00000
     68       9.6006     -0.00000
     69       9.8859     -0.00000
     70      10.0843     -0.00000
     71      10.4690     -0.00000
     72      10.7317     -0.00000
     73      11.0881     -0.00000
     74      11.6156      0.00000
     75      12.2455      0.00000
     76      12.9545      0.00000
     77      13.1852      0.00000
     78      13.8978      0.00000
     79      13.9177      0.00000
     80      14.0555      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4519      2.00000
      9      -0.1490      2.00000
     10      -0.0140      2.00000
     11       0.1293      2.00000
     12       0.5348      2.00000
     13       0.5729      2.00000
     14       0.6435      2.00000
     15       0.7545      2.00000
     16       0.8607      2.00000
     17       0.9499      2.00000
     18       0.9961      2.00000
     19       1.0505      2.00000
     20       1.1062      2.00000
     21       1.1668      2.00000
     22       1.2218      2.00000
     23       1.3148      2.00000
     24       1.3911      2.00000
     25       1.4705      2.00000
     26       1.5025      2.00000
     27       1.5477      2.00000
     28       1.5985      2.00000
     29       1.7119      2.00000
     30       1.7534      2.00000
     31       1.7928      2.00000
     32       1.8953      2.00000
     33       1.9575      2.00000
     34       1.9687      2.00000
     35       2.0537      2.00000
     36       2.1801      2.00000
     37       2.1894      2.00000
     38       2.2867      2.00000
     39       2.3294      2.00000
     40       2.3553      2.00000
     41       2.4736      2.00000
     42       2.4947      2.00000
     43       2.5848      2.00000
     44       2.6148      2.00000
     45       2.6766      2.00000
     46       2.7682      2.00000
     47       2.7991      2.00000
     48       2.8122      2.00000
     49       2.8992      2.00000
     50       3.1214      2.00000
     51       3.1766      2.00000
     52       3.2295      2.00000
     53       3.5149      2.00000
     54       3.5714      2.00000
     55       3.6839      2.00000
     56       3.8792      2.00000
     57       4.4431      2.00000
     58       4.5792      2.00000
     59       4.9770      2.00000
     60       5.4250      2.00022
     61       5.7548      2.06858
     62       5.8183      2.05024
     63       6.7129     -0.00001
     64       6.9903     -0.00000
     65       7.2890     -0.00000
     66       7.5122     -0.00000
     67       9.0215     -0.00000
     68       9.4049     -0.00000
     69      10.1093     -0.00000
     70      10.5175     -0.00000
     71      10.8575     -0.00000
     72      11.2110     -0.00000
     73      11.4034     -0.00000
     74      11.6791      0.00000
     75      12.0179      0.00000
     76      12.6526      0.00000
     77      13.4665      0.00000
     78      13.5598      0.00000
     79      14.0924      0.00000
     80      14.1454      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1390      2.00000
      9      -0.5386      2.00000
     10       0.1032      2.00000
     11       0.1255      2.00000
     12       0.5059      2.00000
     13       0.5834      2.00000
     14       0.6506      2.00000
     15       0.6870      2.00000
     16       0.7974      2.00000
     17       0.8204      2.00000
     18       0.8445      2.00000
     19       0.9348      2.00000
     20       1.0935      2.00000
     21       1.1335      2.00000
     22       1.1745      2.00000
     23       1.2026      2.00000
     24       1.3159      2.00000
     25       1.3615      2.00000
     26       1.4021      2.00000
     27       1.4431      2.00000
     28       1.5089      2.00000
     29       1.5673      2.00000
     30       1.6908      2.00000
     31       1.7375      2.00000
     32       1.8760      2.00000
     33       1.9164      2.00000
     34       1.9725      2.00000
     35       2.1171      2.00000
     36       2.1629      2.00000
     37       2.2419      2.00000
     38       2.2850      2.00000
     39       2.3501      2.00000
     40       2.4260      2.00000
     41       2.5164      2.00000
     42       2.5704      2.00000
     43       2.6605      2.00000
     44       2.6936      2.00000
     45       2.7618      2.00000
     46       2.8059      2.00000
     47       2.8510      2.00000
     48       2.9089      2.00000
     49       2.9605      2.00000
     50       3.0775      2.00000
     51       3.1203      2.00000
     52       3.2041      2.00000
     53       3.3446      2.00000
     54       3.5110      2.00000
     55       3.7012      2.00000
     56       4.1211      2.00000
     57       4.6053      2.00000
     58       4.9814      2.00000
     59       5.3588      2.00003
     60       5.6887      2.04169
     61       6.0279      0.91879
     62       6.2166     -0.04839
     63       6.6975     -0.00002
     64       7.1762     -0.00000
     65       7.6191     -0.00000
     66       8.7382     -0.00000
     67       8.9056     -0.00000
     68       9.3539     -0.00000
     69      10.4056     -0.00000
     70      10.6076     -0.00000
     71      11.0135     -0.00000
     72      11.6242      0.00000
     73      12.2206      0.00000
     74      12.4988      0.00000
     75      12.8208      0.00000
     76      13.3559      0.00000
     77      13.5857      0.00000
     78      14.0715      0.00000
     79      14.2316      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9201      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6165      2.00000
      7     -39.6033      2.00000
      8      -1.6602      2.00000
      9      -0.8919      2.00000
     10       0.1385      2.00000
     11       0.2596      2.00000
     12       0.3088      2.00000
     13       0.3206      2.00000
     14       0.3978      2.00000
     15       0.6208      2.00000
     16       0.6416      2.00000
     17       0.6645      2.00000
     18       0.7497      2.00000
     19       0.8523      2.00000
     20       0.9332      2.00000
     21       1.0539      2.00000
     22       1.1227      2.00000
     23       1.1775      2.00000
     24       1.2163      2.00000
     25       1.2738      2.00000
     26       1.3763      2.00000
     27       1.3891      2.00000
     28       1.4705      2.00000
     29       1.5910      2.00000
     30       1.6908      2.00000
     31       1.7396      2.00000
     32       1.8442      2.00000
     33       1.8529      2.00000
     34       2.0300      2.00000
     35       2.1552      2.00000
     36       2.1904      2.00000
     37       2.2336      2.00000
     38       2.2627      2.00000
     39       2.3683      2.00000
     40       2.4449      2.00000
     41       2.5147      2.00000
     42       2.6233      2.00000
     43       2.6551      2.00000
     44       2.7763      2.00000
     45       2.8271      2.00000
     46       2.8769      2.00000
     47       2.9519      2.00000
     48       2.9844      2.00000
     49       3.1122      2.00000
     50       3.1852      2.00000
     51       3.2055      2.00000
     52       3.2929      2.00000
     53       3.4753      2.00000
     54       3.7157      2.00000
     55       3.9395      2.00000
     56       3.9630      2.00000
     57       4.1953      2.00000
     58       4.5993      2.00000
     59       5.0550      2.00000
     60       5.6524      2.02663
     61       6.7387     -0.00000
     62       7.3417     -0.00000
     63       7.6609     -0.00000
     64       8.2597     -0.00000
     65       8.4681     -0.00000
     66       8.5673     -0.00000
     67       9.0095     -0.00000
     68       9.2266     -0.00000
     69      11.3320     -0.00000
     70      12.1187      0.00000
     71      12.4184      0.00000
     72      12.6607      0.00000
     73      12.8351      0.00000
     74      13.0994      0.00000
     75      13.2850      0.00000
     76      13.5416      0.00000
     77      13.7062      0.00000
     78      13.7776      0.00000
     79      13.8826      0.00000
     80      14.0617      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6570      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6622      2.00000
      9      -0.7788      2.00000
     10      -0.6046      2.00000
     11       0.0749      2.00000
     12       0.2613      2.00000
     13       0.3750      2.00000
     14       0.3913      2.00000
     15       0.5483      2.00000
     16       0.6284      2.00000
     17       0.7385      2.00000
     18       0.7392      2.00000
     19       0.8320      2.00000
     20       0.8878      2.00000
     21       0.9206      2.00000
     22       1.0457      2.00000
     23       1.0983      2.00000
     24       1.1318      2.00000
     25       1.2319      2.00000
     26       1.3238      2.00000
     27       1.3522      2.00000
     28       1.4876      2.00000
     29       1.6057      2.00000
     30       1.6149      2.00000
     31       1.7799      2.00000
     32       1.9013      2.00000
     33       1.9062      2.00000
     34       2.0924      2.00000
     35       2.1465      2.00000
     36       2.2258      2.00000
     37       2.3484      2.00000
     38       2.4400      2.00000
     39       2.4623      2.00000
     40       2.4696      2.00000
     41       2.5380      2.00000
     42       2.6158      2.00000
     43       2.6803      2.00000
     44       2.6844      2.00000
     45       2.8145      2.00000
     46       2.8699      2.00000
     47       2.9548      2.00000
     48       2.9768      2.00000
     49       3.1487      2.00000
     50       3.2306      2.00000
     51       3.3170      2.00000
     52       3.3370      2.00000
     53       3.4400      2.00000
     54       3.5320      2.00000
     55       3.7162      2.00000
     56       3.7518      2.00000
     57       3.9898      2.00000
     58       4.1987      2.00000
     59       5.8111      2.05700
     60       7.2624     -0.00000
     61       7.4199     -0.00000
     62       7.4613     -0.00000
     63       7.7518     -0.00000
     64       8.2339     -0.00000
     65       8.7229     -0.00000
     66       9.2652     -0.00000
     67       9.8769     -0.00000
     68      10.4845     -0.00000
     69      10.6546     -0.00000
     70      11.2178     -0.00000
     71      11.2600     -0.00000
     72      11.4296     -0.00000
     73      12.4014      0.00000
     74      12.9819      0.00000
     75      13.1407      0.00000
     76      13.1839      0.00000
     77      13.4107      0.00000
     78      13.8856      0.00000
     79      13.9040      0.00000
     80      14.5896      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9137      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3943      2.00000
      9      -0.7720      2.00000
     10      -0.4120      2.00000
     11       0.1151      2.00000
     12       0.1904      2.00000
     13       0.4698      2.00000
     14       0.5359      2.00000
     15       0.6244      2.00000
     16       0.6424      2.00000
     17       0.7430      2.00000
     18       0.7580      2.00000
     19       0.9162      2.00000
     20       0.9549      2.00000
     21       0.9892      2.00000
     22       0.9938      2.00000
     23       1.1007      2.00000
     24       1.1655      2.00000
     25       1.1874      2.00000
     26       1.3312      2.00000
     27       1.3531      2.00000
     28       1.5587      2.00000
     29       1.6143      2.00000
     30       1.7290      2.00000
     31       1.7685      2.00000
     32       1.8253      2.00000
     33       1.9620      2.00000
     34       2.0192      2.00000
     35       2.0499      2.00000
     36       2.1502      2.00000
     37       2.2773      2.00000
     38       2.2795      2.00000
     39       2.3613      2.00000
     40       2.5149      2.00000
     41       2.5541      2.00000
     42       2.6416      2.00000
     43       2.7067      2.00000
     44       2.7406      2.00000
     45       2.7994      2.00000
     46       2.8930      2.00000
     47       2.9211      2.00000
     48       3.0105      2.00000
     49       3.1060      2.00000
     50       3.1560      2.00000
     51       3.2199      2.00000
     52       3.3473      2.00000
     53       3.3699      2.00000
     54       3.5639      2.00000
     55       3.7833      2.00000
     56       3.8411      2.00000
     57       3.9871      2.00000
     58       4.2314      2.00000
     59       6.2103     -0.04082
     60       6.5025     -0.00328
     61       7.3867     -0.00000
     62       7.7760     -0.00000
     63       7.8883     -0.00000
     64       8.3530     -0.00000
     65       8.5515     -0.00000
     66       8.8068     -0.00000
     67       8.8319     -0.00000
     68       9.6410     -0.00000
     69      10.2082     -0.00000
     70      10.6280     -0.00000
     71      10.7667     -0.00000
     72      11.1154     -0.00000
     73      11.9492      0.00000
     74      12.2960      0.00000
     75      12.6491      0.00000
     76      13.1655      0.00000
     77      13.6127      0.00000
     78      13.9324      0.00000
     79      14.2726      0.00000
     80      14.6639      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9189      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.9073      2.00000
      9      -0.3845      2.00000
     10      -0.0417      2.00000
     11       0.0614      2.00000
     12       0.4415      2.00000
     13       0.4956      2.00000
     14       0.5958      2.00000
     15       0.6939      2.00000
     16       0.7523      2.00000
     17       0.7582      2.00000
     18       0.8258      2.00000
     19       0.8873      2.00000
     20       1.0006      2.00000
     21       1.0357      2.00000
     22       1.1571      2.00000
     23       1.2344      2.00000
     24       1.2882      2.00000
     25       1.3754      2.00000
     26       1.4167      2.00000
     27       1.4922      2.00000
     28       1.6117      2.00000
     29       1.6557      2.00000
     30       1.7149      2.00000
     31       1.7883      2.00000
     32       1.8391      2.00000
     33       1.9256      2.00000
     34       1.9793      2.00000
     35       2.0289      2.00000
     36       2.0743      2.00000
     37       2.2181      2.00000
     38       2.2531      2.00000
     39       2.2881      2.00000
     40       2.4045      2.00000
     41       2.5537      2.00000
     42       2.6239      2.00000
     43       2.6342      2.00000
     44       2.7072      2.00000
     45       2.7388      2.00000
     46       2.8320      2.00000
     47       2.8652      2.00000
     48       2.9039      2.00000
     49       2.9336      2.00000
     50       3.0337      2.00000
     51       3.1337      2.00000
     52       3.3046      2.00000
     53       3.3394      2.00000
     54       3.4872      2.00000
     55       3.5703      2.00000
     56       3.7492      2.00000
     57       4.4155      2.00000
     58       5.2190      2.00000
     59       5.2882      2.00000
     60       5.9528      1.52319
     61       7.0527     -0.00000
     62       7.1828     -0.00000
     63       7.3382     -0.00000
     64       7.4441     -0.00000
     65       8.1625     -0.00000
     66       8.4027     -0.00000
     67       8.6148     -0.00000
     68       9.0548     -0.00000
     69       9.3295     -0.00000
     70       9.8276     -0.00000
     71      10.7621     -0.00000
     72      10.9676     -0.00000
     73      11.2739     -0.00000
     74      11.5975      0.00000
     75      12.5161      0.00000
     76      13.0863      0.00000
     77      13.4153      0.00000
     78      13.6651      0.00000
     79      13.9108      0.00000
     80      14.1213      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6564      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3909      2.00000
      9      -0.0769      2.00000
     10       0.1011      2.00000
     11       0.1576      2.00000
     12       0.4553      2.00000
     13       0.4921      2.00000
     14       0.5504      2.00000
     15       0.6709      2.00000
     16       0.7822      2.00000
     17       0.9091      2.00000
     18       0.9404      2.00000
     19       1.1128      2.00000
     20       1.1671      2.00000
     21       1.2133      2.00000
     22       1.2370      2.00000
     23       1.3287      2.00000
     24       1.4106      2.00000
     25       1.4411      2.00000
     26       1.4853      2.00000
     27       1.5615      2.00000
     28       1.6193      2.00000
     29       1.6606      2.00000
     30       1.7154      2.00000
     31       1.8293      2.00000
     32       1.9120      2.00000
     33       1.9605      2.00000
     34       2.0335      2.00000
     35       2.1058      2.00000
     36       2.1193      2.00000
     37       2.2012      2.00000
     38       2.2973      2.00000
     39       2.3114      2.00000
     40       2.3553      2.00000
     41       2.4673      2.00000
     42       2.5293      2.00000
     43       2.5535      2.00000
     44       2.6251      2.00000
     45       2.6954      2.00000
     46       2.7370      2.00000
     47       2.8148      2.00000
     48       2.8352      2.00000
     49       2.9505      2.00000
     50       3.0703      2.00000
     51       3.1802      2.00000
     52       3.2832      2.00000
     53       3.3390      2.00000
     54       3.4679      2.00000
     55       3.5879      2.00000
     56       3.7879      2.00000
     57       4.0884      2.00000
     58       4.2971      2.00000
     59       5.4680      2.00070
     60       5.8586      1.97942
     61       6.0220      0.96893
     62       6.3360     -0.04719
     63       6.7265     -0.00001
     64       7.1211     -0.00000
     65       7.6030     -0.00000
     66       8.0658     -0.00000
     67       8.3326     -0.00000
     68       8.9228     -0.00000
     69       9.4375     -0.00000
     70      10.2319     -0.00000
     71      10.4152     -0.00000
     72      10.5632     -0.00000
     73      11.3134     -0.00000
     74      11.8245      0.00000
     75      12.1591      0.00000
     76      12.9351      0.00000
     77      13.0136      0.00000
     78      13.6815      0.00000
     79      13.9988      0.00000
     80      14.6415      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6564      2.00000
      5     -39.6564      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4472      2.00000
      9      -0.1496      2.00000
     10       0.0474      2.00000
     11       0.1321      2.00000
     12       0.4964      2.00000
     13       0.5309      2.00000
     14       0.6303      2.00000
     15       0.7137      2.00000
     16       0.8955      2.00000
     17       0.9203      2.00000
     18       1.0338      2.00000
     19       1.0751      2.00000
     20       1.1361      2.00000
     21       1.1791      2.00000
     22       1.2517      2.00000
     23       1.2965      2.00000
     24       1.3909      2.00000
     25       1.4113      2.00000
     26       1.4586      2.00000
     27       1.5070      2.00000
     28       1.6579      2.00000
     29       1.6945      2.00000
     30       1.7403      2.00000
     31       1.7938      2.00000
     32       1.8727      2.00000
     33       1.9134      2.00000
     34       2.0069      2.00000
     35       2.0783      2.00000
     36       2.1855      2.00000
     37       2.2103      2.00000
     38       2.2840      2.00000
     39       2.3493      2.00000
     40       2.3700      2.00000
     41       2.4507      2.00000
     42       2.5029      2.00000
     43       2.5511      2.00000
     44       2.6533      2.00000
     45       2.6882      2.00000
     46       2.7402      2.00000
     47       2.8126      2.00000
     48       2.8819      2.00000
     49       2.9040      2.00000
     50       3.1091      2.00000
     51       3.1642      2.00000
     52       3.2504      2.00000
     53       3.4746      2.00000
     54       3.5633      2.00000
     55       3.6014      2.00000
     56       3.8964      2.00000
     57       4.3411      2.00000
     58       4.8576      2.00000
     59       5.0028      2.00000
     60       5.2062      2.00000
     61       5.6133      2.01473
     62       5.8102      2.05767
     63       6.7190     -0.00001
     64       7.1803     -0.00000
     65       7.6937     -0.00000
     66       7.8748     -0.00000
     67       8.7025     -0.00000
     68       9.4964     -0.00000
     69       9.9537     -0.00000
     70      10.1269     -0.00000
     71      10.4699     -0.00000
     72      10.5864     -0.00000
     73      11.1449     -0.00000
     74      11.8167      0.00000
     75      12.2315      0.00000
     76      12.7397      0.00000
     77      13.5884      0.00000
     78      14.0610      0.00000
     79      14.3176      0.00000
     80      14.4629      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0804      2.00000
      9      -0.3701      2.00000
     10      -0.1179      2.00000
     11       0.2709      2.00000
     12       0.4370      2.00000
     13       0.5101      2.00000
     14       0.5423      2.00000
     15       0.6797      2.00000
     16       0.7844      2.00000
     17       0.8403      2.00000
     18       0.9177      2.00000
     19       0.9478      2.00000
     20       1.0511      2.00000
     21       1.0814      2.00000
     22       1.1695      2.00000
     23       1.2174      2.00000
     24       1.2665      2.00000
     25       1.3220      2.00000
     26       1.4122      2.00000
     27       1.4532      2.00000
     28       1.5503      2.00000
     29       1.6095      2.00000
     30       1.7710      2.00000
     31       1.8193      2.00000
     32       1.8437      2.00000
     33       1.9649      2.00000
     34       1.9947      2.00000
     35       2.0542      2.00000
     36       2.1050      2.00000
     37       2.1325      2.00000
     38       2.2065      2.00000
     39       2.3296      2.00000
     40       2.4292      2.00000
     41       2.4707      2.00000
     42       2.6042      2.00000
     43       2.6502      2.00000
     44       2.6830      2.00000
     45       2.7866      2.00000
     46       2.8164      2.00000
     47       2.8708      2.00000
     48       2.9221      2.00000
     49       2.9751      2.00000
     50       3.0820      2.00000
     51       3.1289      2.00000
     52       3.2357      2.00000
     53       3.3195      2.00000
     54       3.4493      2.00000
     55       3.6247      2.00000
     56       4.0759      2.00000
     57       4.2775      2.00000
     58       5.1809      2.00000
     59       5.7476      2.06666
     60       5.9254      1.69994
     61       6.1145      0.28143
     62       6.5362     -0.00154
     63       6.7782     -0.00000
     64       7.2674     -0.00000
     65       7.6550     -0.00000
     66       8.3368     -0.00000
     67       9.3836     -0.00000
     68       9.5324     -0.00000
     69       9.9829     -0.00000
     70      10.1722     -0.00000
     71      11.3432     -0.00000
     72      11.4972      0.00000
     73      11.7689      0.00000
     74      11.9537      0.00000
     75      12.2808      0.00000
     76      12.7683      0.00000
     77      13.3525      0.00000
     78      13.6845      0.00000
     79      13.8262      0.00000
     80      14.2047      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6565      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5568      2.00000
      9      -0.5549      2.00000
     10      -0.4679      2.00000
     11       0.2086      2.00000
     12       0.2340      2.00000
     13       0.4712      2.00000
     14       0.5224      2.00000
     15       0.5932      2.00000
     16       0.6302      2.00000
     17       0.6719      2.00000
     18       0.7942      2.00000
     19       0.9006      2.00000
     20       0.9459      2.00000
     21       0.9871      2.00000
     22       1.0110      2.00000
     23       1.1177      2.00000
     24       1.1606      2.00000
     25       1.2163      2.00000
     26       1.3850      2.00000
     27       1.4324      2.00000
     28       1.4860      2.00000
     29       1.5969      2.00000
     30       1.6399      2.00000
     31       1.7263      2.00000
     32       1.8698      2.00000
     33       1.8883      2.00000
     34       2.0144      2.00000
     35       2.1044      2.00000
     36       2.2055      2.00000
     37       2.2688      2.00000
     38       2.3442      2.00000
     39       2.3695      2.00000
     40       2.4391      2.00000
     41       2.5866      2.00000
     42       2.6745      2.00000
     43       2.7038      2.00000
     44       2.7358      2.00000
     45       2.8394      2.00000
     46       2.8642      2.00000
     47       2.8921      2.00000
     48       3.0554      2.00000
     49       3.0898      2.00000
     50       3.1674      2.00000
     51       3.2264      2.00000
     52       3.2325      2.00000
     53       3.5302      2.00000
     54       3.6165      2.00000
     55       3.6521      2.00000
     56       3.8493      2.00000
     57       3.9756      2.00000
     58       4.4819      2.00000
     59       5.6743      2.03536
     60       6.3635     -0.03487
     61       6.7038     -0.00001
     62       7.5044     -0.00000
     63       7.9725     -0.00000
     64       8.6828     -0.00000
     65       8.8786     -0.00000
     66       9.2096     -0.00000
     67       9.3711     -0.00000
     68       9.4697     -0.00000
     69       9.7898     -0.00000
     70      10.5194     -0.00000
     71      11.1816     -0.00000
     72      11.5417      0.00000
     73      12.0601      0.00000
     74      12.2454      0.00000
     75      13.0161      0.00000
     76      13.2485      0.00000
     77      13.2912      0.00000
     78      13.8552      0.00000
     79      14.5912      0.00000
     80      14.6730      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6571      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6131      2.00000
      9      -0.8289      2.00000
     10      -0.5726      2.00000
     11       0.0727      2.00000
     12       0.1494      2.00000
     13       0.3588      2.00000
     14       0.3926      2.00000
     15       0.5473      2.00000
     16       0.6401      2.00000
     17       0.7631      2.00000
     18       0.7876      2.00000
     19       0.8679      2.00000
     20       0.8734      2.00000
     21       0.9183      2.00000
     22       1.0152      2.00000
     23       1.0263      2.00000
     24       1.0740      2.00000
     25       1.2518      2.00000
     26       1.3090      2.00000
     27       1.3772      2.00000
     28       1.4778      2.00000
     29       1.6252      2.00000
     30       1.6704      2.00000
     31       1.7602      2.00000
     32       1.8366      2.00000
     33       1.9558      2.00000
     34       2.0130      2.00000
     35       2.1704      2.00000
     36       2.2027      2.00000
     37       2.3298      2.00000
     38       2.4291      2.00000
     39       2.4629      2.00000
     40       2.4705      2.00000
     41       2.5119      2.00000
     42       2.6278      2.00000
     43       2.6372      2.00000
     44       2.6581      2.00000
     45       2.8281      2.00000
     46       2.8378      2.00000
     47       2.9487      2.00000
     48       2.9507      2.00000
     49       2.9814      2.00000
     50       3.1930      2.00000
     51       3.2542      2.00000
     52       3.4559      2.00000
     53       3.5499      2.00000
     54       3.6547      2.00000
     55       3.9669      2.00000
     56       4.0635      2.00000
     57       4.2114      2.00000
     58       4.5982      2.00000
     59       5.8669      1.95637
     60       6.1202      0.24948
     61       6.6482     -0.00008
     62       7.3648     -0.00000
     63       8.0011     -0.00000
     64       8.2505     -0.00000
     65       8.6492     -0.00000
     66       9.1065     -0.00000
     67       9.1653     -0.00000
     68      10.9078     -0.00000
     69      11.4378     -0.00000
     70      11.6299      0.00000
     71      11.9447      0.00000
     72      12.3422      0.00000
     73      12.6251      0.00000
     74      13.1733      0.00000
     75      13.2064      0.00000
     76      13.3600      0.00000
     77      13.3974      0.00000
     78      13.8277      0.00000
     79      13.8489      0.00000
     80      14.0867      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6570      2.00000
      5     -39.6563      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3574      2.00000
      9      -0.6666      2.00000
     10      -0.5421      2.00000
     11       0.0541      2.00000
     12       0.1865      2.00000
     13       0.4657      2.00000
     14       0.5563      2.00000
     15       0.6219      2.00000
     16       0.6351      2.00000
     17       0.7474      2.00000
     18       0.7891      2.00000
     19       0.9114      2.00000
     20       0.9222      2.00000
     21       0.9486      2.00000
     22       0.9808      2.00000
     23       1.0959      2.00000
     24       1.1238      2.00000
     25       1.1779      2.00000
     26       1.3693      2.00000
     27       1.4310      2.00000
     28       1.5984      2.00000
     29       1.6143      2.00000
     30       1.6787      2.00000
     31       1.7211      2.00000
     32       1.7715      2.00000
     33       1.9361      2.00000
     34       2.0196      2.00000
     35       2.0782      2.00000
     36       2.1901      2.00000
     37       2.2124      2.00000
     38       2.2817      2.00000
     39       2.4566      2.00000
     40       2.4797      2.00000
     41       2.5382      2.00000
     42       2.6406      2.00000
     43       2.6832      2.00000
     44       2.7272      2.00000
     45       2.7497      2.00000
     46       2.8449      2.00000
     47       2.8861      2.00000
     48       2.9852      2.00000
     49       3.0650      2.00000
     50       3.1404      2.00000
     51       3.1651      2.00000
     52       3.3165      2.00000
     53       3.4392      2.00000
     54       3.5205      2.00000
     55       3.7651      2.00000
     56       3.8952      2.00000
     57       5.0205      2.00000
     58       5.1282      2.00000
     59       5.6101      2.01396
     60       6.0404      0.81439
     61       6.8552     -0.00000
     62       7.3542     -0.00000
     63       7.5065     -0.00000
     64       7.6995     -0.00000
     65       8.1148     -0.00000
     66       8.2621     -0.00000
     67       9.9438     -0.00000
     68      10.3750     -0.00000
     69      10.5442     -0.00000
     70      10.9985     -0.00000
     71      11.1583     -0.00000
     72      11.6582      0.00000
     73      12.3301      0.00000
     74      12.4617      0.00000
     75      12.9853      0.00000
     76      13.1698      0.00000
     77      13.6565      0.00000
     78      13.7950      0.00000
     79      14.0929      0.00000
     80      14.3622      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6567      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.8992      2.00000
      9      -0.3674      2.00000
     10      -0.0514      2.00000
     11       0.0284      2.00000
     12       0.4692      2.00000
     13       0.4961      2.00000
     14       0.5795      2.00000
     15       0.6973      2.00000
     16       0.7344      2.00000
     17       0.7714      2.00000
     18       0.8286      2.00000
     19       0.8794      2.00000
     20       0.9974      2.00000
     21       1.0247      2.00000
     22       1.1356      2.00000
     23       1.2398      2.00000
     24       1.3370      2.00000
     25       1.3858      2.00000
     26       1.4593      2.00000
     27       1.5142      2.00000
     28       1.5562      2.00000
     29       1.5929      2.00000
     30       1.7508      2.00000
     31       1.8018      2.00000
     32       1.8714      2.00000
     33       1.9125      2.00000
     34       1.9671      2.00000
     35       2.0187      2.00000
     36       2.1304      2.00000
     37       2.1884      2.00000
     38       2.2286      2.00000
     39       2.2563      2.00000
     40       2.3266      2.00000
     41       2.5572      2.00000
     42       2.6112      2.00000
     43       2.6558      2.00000
     44       2.7231      2.00000
     45       2.7330      2.00000
     46       2.8477      2.00000
     47       2.8717      2.00000
     48       2.9125      2.00000
     49       2.9640      2.00000
     50       3.0472      2.00000
     51       3.1361      2.00000
     52       3.2748      2.00000
     53       3.3502      2.00000
     54       3.4145      2.00000
     55       3.5023      2.00000
     56       3.7138      2.00000
     57       4.6988      2.00000
     58       5.3860      2.00007
     59       5.6326      2.02000
     60       5.8369      2.02522
     61       6.6943     -0.00002
     62       6.9403     -0.00000
     63       7.1032     -0.00000
     64       7.2396     -0.00000
     65       8.4962     -0.00000
     66       8.5803     -0.00000
     67       8.7003     -0.00000
     68       8.9023     -0.00000
     69       9.2471     -0.00000
     70       9.6716     -0.00000
     71      10.8913     -0.00000
     72      11.0813     -0.00000
     73      11.2636     -0.00000
     74      11.7899      0.00000
     75      12.7522      0.00000
     76      13.0069      0.00000
     77      13.5250      0.00000
     78      13.7529      0.00000
     79      13.9996      0.00000
     80      14.3903      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3678      2.00000
      9      -0.1229      2.00000
     10       0.0993      2.00000
     11       0.1729      2.00000
     12       0.4627      2.00000
     13       0.5298      2.00000
     14       0.5891      2.00000
     15       0.6355      2.00000
     16       0.7445      2.00000
     17       0.9013      2.00000
     18       0.9486      2.00000
     19       1.0644      2.00000
     20       1.1516      2.00000
     21       1.1927      2.00000
     22       1.2399      2.00000
     23       1.3172      2.00000
     24       1.3945      2.00000
     25       1.4833      2.00000
     26       1.5124      2.00000
     27       1.5410      2.00000
     28       1.6225      2.00000
     29       1.7173      2.00000
     30       1.7382      2.00000
     31       1.8368      2.00000
     32       1.9070      2.00000
     33       1.9711      2.00000
     34       2.0413      2.00000
     35       2.1095      2.00000
     36       2.1744      2.00000
     37       2.2556      2.00000
     38       2.3060      2.00000
     39       2.3184      2.00000
     40       2.3807      2.00000
     41       2.4297      2.00000
     42       2.5168      2.00000
     43       2.5617      2.00000
     44       2.5827      2.00000
     45       2.6358      2.00000
     46       2.7026      2.00000
     47       2.7581      2.00000
     48       2.8070      2.00000
     49       2.9567      2.00000
     50       3.0449      2.00000
     51       3.1401      2.00000
     52       3.1812      2.00000
     53       3.3315      2.00000
     54       3.5343      2.00000
     55       3.5988      2.00000
     56       3.9558      2.00000
     57       4.1923      2.00000
     58       4.4142      2.00000
     59       5.2766      2.00000
     60       5.8334      2.03086
     61       5.9553      1.50486
     62       6.2588     -0.07076
     63       6.4666     -0.00679
     64       6.9954     -0.00000
     65       7.8613     -0.00000
     66       8.0293     -0.00000
     67       8.8253     -0.00000
     68       9.1436     -0.00000
     69       9.7239     -0.00000
     70       9.8574     -0.00000
     71      10.3702     -0.00000
     72      10.5758     -0.00000
     73      10.9590     -0.00000
     74      11.8506      0.00000
     75      12.4515      0.00000
     76      12.6181      0.00000
     77      13.3314      0.00000
     78      13.7157      0.00000
     79      14.3574      0.00000
     80      14.4487      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4397      2.00000
      9      -0.1385      2.00000
     10      -0.0182      2.00000
     11       0.1302      2.00000
     12       0.5455      2.00000
     13       0.5898      2.00000
     14       0.6447      2.00000
     15       0.7780      2.00000
     16       0.8033      2.00000
     17       0.9226      2.00000
     18       0.9653      2.00000
     19       1.0478      2.00000
     20       1.1099      2.00000
     21       1.1507      2.00000
     22       1.2399      2.00000
     23       1.3381      2.00000
     24       1.3863      2.00000
     25       1.4082      2.00000
     26       1.4885      2.00000
     27       1.5915      2.00000
     28       1.6684      2.00000
     29       1.7204      2.00000
     30       1.7665      2.00000
     31       1.8211      2.00000
     32       1.8856      2.00000
     33       1.8985      2.00000
     34       2.0036      2.00000
     35       2.1232      2.00000
     36       2.1801      2.00000
     37       2.2195      2.00000
     38       2.2436      2.00000
     39       2.3052      2.00000
     40       2.3956      2.00000
     41       2.4538      2.00000
     42       2.4900      2.00000
     43       2.5537      2.00000
     44       2.6196      2.00000
     45       2.6437      2.00000
     46       2.7283      2.00000
     47       2.7718      2.00000
     48       2.8225      2.00000
     49       2.8768      2.00000
     50       3.1344      2.00000
     51       3.1438      2.00000
     52       3.3439      2.00000
     53       3.4710      2.00000
     54       3.5758      2.00000
     55       3.6078      2.00000
     56       3.7767      2.00000
     57       4.3627      2.00000
     58       4.5598      2.00000
     59       5.1236      2.00000
     60       5.6206      2.01658
     61       5.7590      2.06948
     62       6.4028     -0.02039
     63       6.4968     -0.00370
     64       6.8331     -0.00000
     65       6.9973     -0.00000
     66       7.3758     -0.00000
     67       9.1032     -0.00000
     68       9.3482     -0.00000
     69      10.2463     -0.00000
     70      10.5532     -0.00000
     71      10.9134     -0.00000
     72      11.4112     -0.00000
     73      11.5649      0.00000
     74      11.8315      0.00000
     75      12.1767      0.00000
     76      12.6580      0.00000
     77      12.9299      0.00000
     78      13.0995      0.00000
     79      13.9013      0.00000
     80      14.2291      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.1085      2.00000
      9      -0.3095      2.00000
     10      -0.1711      2.00000
     11       0.2337      2.00000
     12       0.4809      2.00000
     13       0.5455      2.00000
     14       0.5754      2.00000
     15       0.6539      2.00000
     16       0.7712      2.00000
     17       0.8562      2.00000
     18       0.9282      2.00000
     19       1.0183      2.00000
     20       1.0899      2.00000
     21       1.1200      2.00000
     22       1.1667      2.00000
     23       1.1906      2.00000
     24       1.2232      2.00000
     25       1.2527      2.00000
     26       1.3545      2.00000
     27       1.4831      2.00000
     28       1.5507      2.00000
     29       1.6386      2.00000
     30       1.6854      2.00000
     31       1.7931      2.00000
     32       1.8390      2.00000
     33       1.9685      2.00000
     34       2.0381      2.00000
     35       2.1006      2.00000
     36       2.1629      2.00000
     37       2.2190      2.00000
     38       2.2434      2.00000
     39       2.3020      2.00000
     40       2.3374      2.00000
     41       2.5262      2.00000
     42       2.6193      2.00000
     43       2.6435      2.00000
     44       2.7204      2.00000
     45       2.7346      2.00000
     46       2.7792      2.00000
     47       2.8177      2.00000
     48       2.9383      2.00000
     49       2.9969      2.00000
     50       3.0638      2.00000
     51       3.1380      2.00000
     52       3.2034      2.00000
     53       3.4261      2.00000
     54       3.4647      2.00000
     55       3.5677      2.00000
     56       3.7179      2.00000
     57       4.5306      2.00000
     58       4.7879      2.00000
     59       5.4086      2.00014
     60       5.9572      1.49175
     61       6.4748     -0.00579
     62       6.8115     -0.00000
     63       7.0885     -0.00000
     64       7.3895     -0.00000
     65       8.0530     -0.00000
     66       8.6658     -0.00000
     67       8.7605     -0.00000
     68       9.3326     -0.00000
     69       9.8344     -0.00000
     70       9.9187     -0.00000
     71      10.6609     -0.00000
     72      11.1710     -0.00000
     73      11.8761      0.00000
     74      12.1889      0.00000
     75      12.6567      0.00000
     76      13.2236      0.00000
     77      13.9589      0.00000
     78      14.0337      0.00000
     79      14.3647      0.00000
     80      14.4072      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.5488      2.00000
      9      -0.6267      2.00000
     10      -0.3837      2.00000
     11       0.1887      2.00000
     12       0.2316      2.00000
     13       0.4355      2.00000
     14       0.5225      2.00000
     15       0.5847      2.00000
     16       0.6297      2.00000
     17       0.6914      2.00000
     18       0.8056      2.00000
     19       0.9141      2.00000
     20       0.9426      2.00000
     21       0.9819      2.00000
     22       1.0451      2.00000
     23       1.1306      2.00000
     24       1.1580      2.00000
     25       1.2486      2.00000
     26       1.2699      2.00000
     27       1.3829      2.00000
     28       1.5912      2.00000
     29       1.6431      2.00000
     30       1.7055      2.00000
     31       1.7581      2.00000
     32       1.8201      2.00000
     33       1.8693      2.00000
     34       1.9916      2.00000
     35       2.0340      2.00000
     36       2.1213      2.00000
     37       2.3087      2.00000
     38       2.3449      2.00000
     39       2.4437      2.00000
     40       2.5147      2.00000
     41       2.5268      2.00000
     42       2.6068      2.00000
     43       2.6728      2.00000
     44       2.6982      2.00000
     45       2.7927      2.00000
     46       2.8437      2.00000
     47       2.9026      2.00000
     48       3.0494      2.00000
     49       3.0923      2.00000
     50       3.2091      2.00000
     51       3.2293      2.00000
     52       3.2974      2.00000
     53       3.4013      2.00000
     54       3.5883      2.00000
     55       3.7969      2.00000
     56       3.8148      2.00000
     57       3.9759      2.00000
     58       4.7524      2.00000
     59       5.6563      2.02811
     60       6.5580     -0.00091
     61       6.8475     -0.00000
     62       7.4464     -0.00000
     63       7.8289     -0.00000
     64       7.8801     -0.00000
     65       8.4188     -0.00000
     66       9.0472     -0.00000
     67       9.2223     -0.00000
     68       9.9841     -0.00000
     69      10.4699     -0.00000
     70      10.7217     -0.00000
     71      11.1373     -0.00000
     72      11.4766     -0.00000
     73      12.1361      0.00000
     74      12.6577      0.00000
     75      12.9962      0.00000
     76      13.3541      0.00000
     77      13.4985      0.00000
     78      13.9003      0.00000
     79      14.3180      0.00000
     80      14.5407      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9204      2.00000
      2     -39.9133      2.00000
      3     -39.7851      2.00000
      4     -39.6571      2.00000
      5     -39.6564      2.00000
      6     -39.6173      2.00000
      7     -39.6024      2.00000
      8      -1.6073      2.00000
      9      -0.7823      2.00000
     10      -0.6595      2.00000
     11       0.0669      2.00000
     12       0.1913      2.00000
     13       0.3549      2.00000
     14       0.3903      2.00000
     15       0.5649      2.00000
     16       0.6130      2.00000
     17       0.7263      2.00000
     18       0.7843      2.00000
     19       0.8455      2.00000
     20       0.9055      2.00000
     21       0.9246      2.00000
     22       1.0646      2.00000
     23       1.1105      2.00000
     24       1.1492      2.00000
     25       1.2451      2.00000
     26       1.2598      2.00000
     27       1.2701      2.00000
     28       1.4690      2.00000
     29       1.6039      2.00000
     30       1.6209      2.00000
     31       1.7494      2.00000
     32       1.7889      2.00000
     33       1.9121      2.00000
     34       2.1271      2.00000
     35       2.1563      2.00000
     36       2.3457      2.00000
     37       2.3544      2.00000
     38       2.3929      2.00000
     39       2.4402      2.00000
     40       2.4687      2.00000
     41       2.5364      2.00000
     42       2.6315      2.00000
     43       2.6669      2.00000
     44       2.7295      2.00000
     45       2.7992      2.00000
     46       2.8457      2.00000
     47       2.8968      2.00000
     48       2.9400      2.00000
     49       3.0391      2.00000
     50       3.1789      2.00000
     51       3.2276      2.00000
     52       3.3943      2.00000
     53       3.5902      2.00000
     54       3.6429      2.00000
     55       3.9589      2.00000
     56       4.0582      2.00000
     57       4.2302      2.00000
     58       4.4580      2.00000
     59       5.6784      2.03712
     60       6.2365     -0.06436
     61       6.6926     -0.00002
     62       7.5133     -0.00000
     63       7.8843     -0.00000
     64       8.1393     -0.00000
     65       8.8060     -0.00000
     66       9.3763     -0.00000
     67       9.5844     -0.00000
     68      10.7350     -0.00000
     69      10.8938     -0.00000
     70      11.4726     -0.00000
     71      11.9807      0.00000
     72      12.0754      0.00000
     73      12.5119      0.00000
     74      12.8922      0.00000
     75      13.0067      0.00000
     76      13.2865      0.00000
     77      13.4381      0.00000
     78      13.8966      0.00000
     79      14.0538      0.00000
     80      14.3367      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.3895      2.00000
      9      -0.7312      2.00000
     10      -0.4732      2.00000
     11       0.1192      2.00000
     12       0.1866      2.00000
     13       0.4778      2.00000
     14       0.5477      2.00000
     15       0.6299      2.00000
     16       0.6358      2.00000
     17       0.7471      2.00000
     18       0.7679      2.00000
     19       0.9286      2.00000
     20       0.9335      2.00000
     21       0.9512      2.00000
     22       0.9800      2.00000
     23       1.1184      2.00000
     24       1.1605      2.00000
     25       1.1823      2.00000
     26       1.3683      2.00000
     27       1.3809      2.00000
     28       1.5166      2.00000
     29       1.6166      2.00000
     30       1.6317      2.00000
     31       1.7934      2.00000
     32       1.8439      2.00000
     33       1.9622      2.00000
     34       1.9893      2.00000
     35       2.1661      2.00000
     36       2.2012      2.00000
     37       2.2216      2.00000
     38       2.2580      2.00000
     39       2.3087      2.00000
     40       2.5361      2.00000
     41       2.5766      2.00000
     42       2.6220      2.00000
     43       2.6953      2.00000
     44       2.7422      2.00000
     45       2.8151      2.00000
     46       2.8968      2.00000
     47       2.9569      2.00000
     48       3.0030      2.00000
     49       3.1136      2.00000
     50       3.1565      2.00000
     51       3.1978      2.00000
     52       3.3105      2.00000
     53       3.4000      2.00000
     54       3.5587      2.00000
     55       3.7452      2.00000
     56       3.8998      2.00000
     57       4.0345      2.00000
     58       4.2877      2.00000
     59       6.2385     -0.06534
     60       6.6591     -0.00006
     61       7.1135     -0.00000
     62       7.3093     -0.00000
     63       8.0032     -0.00000
     64       8.2256     -0.00000
     65       8.3873     -0.00000
     66       8.7903     -0.00000
     67       9.5563     -0.00000
     68       9.8211     -0.00000
     69      10.1340     -0.00000
     70      10.3433     -0.00000
     71      10.8605     -0.00000
     72      11.3387     -0.00000
     73      12.0521      0.00000
     74      12.2044      0.00000
     75      12.6271      0.00000
     76      13.1370      0.00000
     77      13.5512      0.00000
     78      13.7484      0.00000
     79      14.3159      0.00000
     80      14.6219      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9146      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6147      2.00000
      7     -39.6053      2.00000
      8      -0.9136      2.00000
      9      -0.4530      2.00000
     10       0.0442      2.00000
     11       0.0938      2.00000
     12       0.3948      2.00000
     13       0.4974      2.00000
     14       0.6468      2.00000
     15       0.6694      2.00000
     16       0.7364      2.00000
     17       0.7792      2.00000
     18       0.8180      2.00000
     19       0.9049      2.00000
     20       1.0197      2.00000
     21       1.0439      2.00000
     22       1.1247      2.00000
     23       1.2299      2.00000
     24       1.2720      2.00000
     25       1.2936      2.00000
     26       1.3790      2.00000
     27       1.4634      2.00000
     28       1.6715      2.00000
     29       1.6975      2.00000
     30       1.7860      2.00000
     31       1.8244      2.00000
     32       1.8541      2.00000
     33       1.9113      2.00000
     34       1.9722      2.00000
     35       1.9981      2.00000
     36       2.0283      2.00000
     37       2.2389      2.00000
     38       2.2939      2.00000
     39       2.3509      2.00000
     40       2.4825      2.00000
     41       2.5189      2.00000
     42       2.5684      2.00000
     43       2.6879      2.00000
     44       2.7083      2.00000
     45       2.7412      2.00000
     46       2.7624      2.00000
     47       2.8550      2.00000
     48       2.8793      2.00000
     49       2.9123      2.00000
     50       3.0730      2.00000
     51       3.1656      2.00000
     52       3.3311      2.00000
     53       3.3462      2.00000
     54       3.5843      2.00000
     55       3.7516      2.00000
     56       3.8223      2.00000
     57       4.0247      2.00000
     58       4.6294      2.00000
     59       4.8198      2.00000
     60       6.5713     -0.00065
     61       7.0551     -0.00000
     62       7.5079     -0.00000
     63       7.6231     -0.00000
     64       7.8425     -0.00000
     65       8.0282     -0.00000
     66       8.6816     -0.00000
     67       8.9062     -0.00000
     68       9.1874     -0.00000
     69       9.5785     -0.00000
     70       9.6026     -0.00000
     71       9.7995     -0.00000
     72      10.0842     -0.00000
     73      11.4879      0.00000
     74      11.8003      0.00000
     75      11.8818      0.00000
     76      12.9961      0.00000
     77      13.3768      0.00000
     78      13.9793      0.00000
     79      14.2257      0.00000
     80      14.5759      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7843      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6118      2.00000
      7     -39.6084      2.00000
      8      -0.3640      2.00000
      9      -0.1223      2.00000
     10       0.1031      2.00000
     11       0.1528      2.00000
     12       0.4174      2.00000
     13       0.5349      2.00000
     14       0.6100      2.00000
     15       0.6898      2.00000
     16       0.7675      2.00000
     17       0.8925      2.00000
     18       0.9356      2.00000
     19       1.0664      2.00000
     20       1.1185      2.00000
     21       1.1820      2.00000
     22       1.2114      2.00000
     23       1.3430      2.00000
     24       1.3915      2.00000
     25       1.4461      2.00000
     26       1.5072      2.00000
     27       1.6567      2.00000
     28       1.6991      2.00000
     29       1.7183      2.00000
     30       1.7372      2.00000
     31       1.8332      2.00000
     32       1.8728      2.00000
     33       1.9334      2.00000
     34       2.0080      2.00000
     35       2.1216      2.00000
     36       2.1611      2.00000
     37       2.2521      2.00000
     38       2.2777      2.00000
     39       2.3467      2.00000
     40       2.3939      2.00000
     41       2.4353      2.00000
     42       2.5262      2.00000
     43       2.5689      2.00000
     44       2.5944      2.00000
     45       2.6421      2.00000
     46       2.6774      2.00000
     47       2.7290      2.00000
     48       2.7912      2.00000
     49       2.8758      2.00000
     50       3.0743      2.00000
     51       3.1251      2.00000
     52       3.1784      2.00000
     53       3.2235      2.00000
     54       3.4886      2.00000
     55       3.5979      2.00000
     56       3.9572      2.00000
     57       4.6228      2.00000
     58       4.7016      2.00000
     59       5.1193      2.00000
     60       5.6472      2.02477
     61       5.7774      2.07079
     62       6.0844      0.47354
     63       6.3816     -0.02763
     64       6.9294     -0.00000
     65       7.6574     -0.00000
     66       8.4526     -0.00000
     67       9.0010     -0.00000
     68       9.3544     -0.00000
     69       9.4769     -0.00000
     70       9.8149     -0.00000
     71      10.6668     -0.00000
     72      11.0188     -0.00000
     73      11.3725     -0.00000
     74      11.7081      0.00000
     75      12.0763      0.00000
     76      12.4123      0.00000
     77      12.7611      0.00000
     78      13.6206      0.00000
     79      13.9589      0.00000
     80      14.1642      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9175      2.00000
      2     -39.9159      2.00000
      3     -39.7844      2.00000
      4     -39.6565      2.00000
      5     -39.6563      2.00000
      6     -39.6117      2.00000
      7     -39.6085      2.00000
      8      -0.4283      2.00000
      9      -0.1869      2.00000
     10       0.0371      2.00000
     11       0.1377      2.00000
     12       0.5264      2.00000
     13       0.5867      2.00000
     14       0.6771      2.00000
     15       0.7364      2.00000
     16       0.7955      2.00000
     17       0.8749      2.00000
     18       0.9523      2.00000
     19       1.0905      2.00000
     20       1.1085      2.00000
     21       1.1967      2.00000
     22       1.2711      2.00000
     23       1.2948      2.00000
     24       1.3642      2.00000
     25       1.4113      2.00000
     26       1.4655      2.00000
     27       1.5515      2.00000
     28       1.6666      2.00000
     29       1.7403      2.00000
     30       1.7725      2.00000
     31       1.8309      2.00000
     32       1.8461      2.00000
     33       1.9585      2.00000
     34       2.0596      2.00000
     35       2.0933      2.00000
     36       2.1316      2.00000
     37       2.2409      2.00000
     38       2.2781      2.00000
     39       2.2872      2.00000
     40       2.4365      2.00000
     41       2.4735      2.00000
     42       2.4782      2.00000
     43       2.5528      2.00000
     44       2.6219      2.00000
     45       2.6488      2.00000
     46       2.7018      2.00000
     47       2.7923      2.00000
     48       2.8011      2.00000
     49       2.8802      2.00000
     50       3.0899      2.00000
     51       3.1674      2.00000
     52       3.2496      2.00000
     53       3.4821      2.00000
     54       3.5623      2.00000
     55       3.6523      2.00000
     56       4.0616      2.00000
     57       4.5105      2.00000
     58       4.5616      2.00000
     59       4.8274      2.00000
     60       5.1668      2.00000
     61       5.6576      2.02858
     62       6.1382      0.16066
     63       6.3992     -0.02152
     64       7.5667     -0.00000
     65       7.7336     -0.00000
     66       8.0251     -0.00000
     67       8.4205     -0.00000
     68       8.9561     -0.00000
     69       9.6286     -0.00000
     70      10.2580     -0.00000
     71      10.3975     -0.00000
     72      11.2682     -0.00000
     73      11.6902      0.00000
     74      12.2887      0.00000
     75      12.4667      0.00000
     76      12.6269      0.00000
     77      13.3638      0.00000
     78      13.6128      0.00000
     79      14.1707      0.00000
     80      14.3056      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9190      2.00000
      2     -39.9145      2.00000
      3     -39.7846      2.00000
      4     -39.6566      2.00000
      5     -39.6564      2.00000
      6     -39.6146      2.00000
      7     -39.6054      2.00000
      8      -1.0483      2.00000
      9      -0.4644      2.00000
     10      -0.0815      2.00000
     11       0.3264      2.00000
     12       0.4412      2.00000
     13       0.5129      2.00000
     14       0.5660      2.00000
     15       0.6427      2.00000
     16       0.7470      2.00000
     17       0.8185      2.00000
     18       0.9191      2.00000
     19       0.9889      2.00000
     20       1.0217      2.00000
     21       1.0955      2.00000
     22       1.1818      2.00000
     23       1.2101      2.00000
     24       1.3105      2.00000
     25       1.3372      2.00000
     26       1.3584      2.00000
     27       1.4385      2.00000
     28       1.5040      2.00000
     29       1.6036      2.00000
     30       1.7661      2.00000
     31       1.8406      2.00000
     32       1.8612      2.00000
     33       1.9294      2.00000
     34       1.9885      2.00000
     35       2.0412      2.00000
     36       2.1202      2.00000
     37       2.1938      2.00000
     38       2.2604      2.00000
     39       2.3288      2.00000
     40       2.4498      2.00000
     41       2.4921      2.00000
     42       2.5084      2.00000
     43       2.6503      2.00000
     44       2.6811      2.00000
     45       2.7603      2.00000
     46       2.8016      2.00000
     47       2.8503      2.00000
     48       2.9244      2.00000
     49       3.0217      2.00000
     50       3.0818      2.00000
     51       3.1490      2.00000
     52       3.2173      2.00000
     53       3.3233      2.00000
     54       3.4868      2.00000
     55       3.6513      2.00000
     56       3.8498      2.00000
     57       4.7560      2.00000
     58       5.2128      2.00000
     59       5.3400      2.00002
     60       5.5978      2.01133
     61       6.3420     -0.04445
     62       6.5410     -0.00137
     63       7.2846     -0.00000
     64       7.3901     -0.00000
     65       7.6631     -0.00000
     66       8.0563     -0.00000
     67       8.8515     -0.00000
     68       9.6485     -0.00000
     69       9.9788     -0.00000
     70      10.4959     -0.00000
     71      10.6824     -0.00000
     72      11.0092     -0.00000
     73      11.3032     -0.00000
     74      12.4693      0.00000
     75      13.0248      0.00000
     76      13.2962      0.00000
     77      13.5932      0.00000
     78      14.1250      0.00000
     79      14.2238      0.00000
     80      14.8620      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9200      2.00000
      2     -39.9136      2.00000
      3     -39.7849      2.00000
      4     -39.6569      2.00000
      5     -39.6564      2.00000
      6     -39.6166      2.00000
      7     -39.6032      2.00000
      8      -1.4872      2.00000
      9      -0.7358      2.00000
     10      -0.3609      2.00000
     11       0.1615      2.00000
     12       0.2181      2.00000
     13       0.4630      2.00000
     14       0.5296      2.00000
     15       0.6063      2.00000
     16       0.6307      2.00000
     17       0.6638      2.00000
     18       0.8212      2.00000
     19       0.8780      2.00000
     20       0.9365      2.00000
     21       0.9745      2.00000
     22       0.9937      2.00000
     23       1.1430      2.00000
     24       1.1784      2.00000
     25       1.2457      2.00000
     26       1.3201      2.00000
     27       1.4358      2.00000
     28       1.5460      2.00000
     29       1.5946      2.00000
     30       1.6157      2.00000
     31       1.6899      2.00000
     32       1.8935      2.00000
     33       1.9652      2.00000
     34       2.0172      2.00000
     35       2.0918      2.00000
     36       2.1942      2.00000
     37       2.2569      2.00000
     38       2.3344      2.00000
     39       2.3549      2.00000
     40       2.4534      2.00000
     41       2.4724      2.00000
     42       2.6322      2.00000
     43       2.6734      2.00000
     44       2.7523      2.00000
     45       2.7775      2.00000
     46       2.8270      2.00000
     47       2.9646      2.00000
     48       2.9846      2.00000
     49       3.1161      2.00000
     50       3.1538      2.00000
     51       3.1962      2.00000
     52       3.3041      2.00000
     53       3.3796      2.00000
     54       3.6129      2.00000
     55       3.7815      2.00000
     56       3.8286      2.00000
     57       4.6171      2.00000
     58       5.1291      2.00000
     59       5.6780      2.03695
     60       6.1373      0.16479
     61       6.4425     -0.01060
     62       6.9193     -0.00000
     63       7.2594     -0.00000
     64       7.9406     -0.00000
     65       8.8935     -0.00000
     66       8.9856     -0.00000
     67       9.2205     -0.00000
     68       9.9785     -0.00000
     69      10.0475     -0.00000
     70      11.7035      0.00000
     71      11.9083      0.00000
     72      12.1184      0.00000
     73      12.2375      0.00000
     74      12.4573      0.00000
     75      12.8925      0.00000
     76      13.2975      0.00000
     77      13.5654      0.00000
     78      13.8118      0.00000
     79      13.9577      0.00000
     80      14.4582      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.006  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.384   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.000  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.024   0.010   0.030   0.010   0.006  -1.171  -0.014  -0.025  -0.040  -0.014   0.019  -0.005  -0.013   0.007   0.357  -0.000
  0.010   3.075  -0.271   0.019  -0.179  -0.014  -1.061   0.226  -0.010   0.142  -0.066   0.012   0.000   0.172   0.008   0.000
  0.030  -0.271   2.657   0.008  -0.317  -0.025   0.226  -0.700  -0.018   0.233   0.084  -0.036  -0.112  -0.021  -0.004   0.006
  0.010   0.019   0.008   2.947   0.016  -0.040  -0.010  -0.018  -1.110  -0.007  -0.019   0.004   0.010   0.004  -0.021  -0.000
  0.006  -0.179  -0.317   0.016   3.079  -0.014   0.142   0.233  -0.007  -1.017  -0.143   0.068   0.045  -0.009   0.020   0.008
 -1.171  -0.014  -0.025  -0.040  -0.014   1.225   0.017   0.021   0.066   0.019  -0.017   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.061   0.226  -0.010   0.142   0.017   0.979  -0.182   0.002  -0.106   0.061  -0.014  -0.008  -0.137  -0.007   0.000
 -0.025   0.226  -0.700  -0.018   0.233   0.021  -0.182   0.680   0.026  -0.162  -0.092   0.047   0.085   0.025   0.002  -0.002
 -0.040  -0.010  -0.018  -1.110  -0.007   0.066   0.002   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.013   0.000
 -0.014   0.142   0.233  -0.007  -1.017   0.019  -0.106  -0.162   0.001   0.909   0.133  -0.074  -0.049   0.010  -0.016  -0.000
  0.019  -0.066   0.084  -0.019  -0.143  -0.017   0.061  -0.092   0.019   0.133   2.092  -0.311  -0.042   0.002   0.001   0.002
 -0.005   0.012  -0.036   0.004   0.068   0.005  -0.014   0.047  -0.006  -0.074  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.013   0.000  -0.112   0.010   0.045   0.012  -0.008   0.085  -0.009  -0.049  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.009  -0.006  -0.137   0.025  -0.002   0.010   0.002  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.021   0.020  -0.290  -0.007   0.002   0.013  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.72: real time    1.72
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.65: real time    6.67
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.13049   469.13049   469.13049
  Ewald   -2470.60600 -3174.43907 -2709.86344   -21.98824   -22.80757    11.88445
  Hartree   848.98048   344.82535   678.28735   -14.73715    -2.01573     7.57088
  E(xc)    -540.90619  -541.58489  -541.06175    -0.02562    -0.13503     0.01472
  Local    -596.05305   609.66720  -186.38930    36.26914    23.63884   -19.01280
  n-local  -102.87043   -99.62070  -101.57961     0.29540     0.73811    -0.26612
  augment   723.83888   723.29728   723.38516     0.02379     0.11676    -0.04251
  Kinetic  1668.46413  1668.73745  1668.07567     0.16231     0.48628    -0.15429
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.02169     0.01311    -0.01542    -0.00037     0.02165    -0.00567
  in kB      -0.13495     0.08158    -0.09596    -0.00227     0.13471    -0.03526
  external pressure =       -0.05 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.51
      direct lattice vectors                 reciprocal lattice vectors
     4.099595603 -0.101558147  0.142328777     0.243618598  0.100368734  0.080486377
    -3.910188986  8.753495948  0.919627150     0.002764274  0.115203637  0.002581773
    -2.321017665 -0.104674431  7.155858339    -0.005200779 -0.016801583  0.137812986

  length of vectors
     4.103322513  9.631146521  7.523588792     0.275503105  0.115265713  0.138930775


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.359E+01 -.159E+03 0.250E+02   0.376E+01 0.162E+03 -.253E+02   -.167E+00 -.281E+01 0.291E+00   -.164E-03 -.475E-03 -.493E-03
   0.359E+01 0.159E+03 -.250E+02   -.375E+01 -.162E+03 0.253E+02   0.167E+00 0.281E+01 -.291E+00   0.165E-03 0.468E-03 0.494E-03
   0.328E+01 0.146E+03 0.666E+01   -.337E+01 -.147E+03 -.648E+01   0.898E-01 0.128E+01 -.176E+00   -.815E-04 -.245E-03 0.734E-03
   -.114E+00 -.694E+02 -.429E+02   0.119E+00 0.690E+02 0.438E+02   -.417E-02 0.321E+00 -.845E+00   0.281E-04 -.278E-03 -.750E-03
   0.628E+01 0.980E+02 -.966E+02   -.634E+01 -.992E+02 0.980E+02   0.615E-01 0.126E+01 -.140E+01   0.858E-04 0.223E-04 0.198E-03
   0.202E-01 -.659E-02 0.143E-01   -.201E-01 0.657E-02 -.143E-01   -.424E-03 0.129E-03 -.134E-03   -.367E-04 0.597E-05 -.859E-05
   -.629E+01 -.979E+02 0.966E+02   0.635E+01 0.992E+02 -.980E+02   -.608E-01 -.126E+01 0.140E+01   -.517E-04 -.427E-04 -.173E-03
   -.329E+01 -.146E+03 -.665E+01   0.338E+01 0.147E+03 0.647E+01   -.898E-01 -.127E+01 0.176E+00   0.117E-03 0.216E-03 -.737E-03
   0.120E+00 0.694E+02 0.429E+02   -.124E+00 -.690E+02 -.438E+02   0.410E-02 -.321E+00 0.845E+00   -.317E-04 0.328E-03 0.758E-03
   0.885E-02 0.937E-03 -.505E-03   -.860E-02 -.872E-03 0.541E-03   -.338E-03 0.480E-04 -.530E-04   0.496E-06 0.213E-05 -.512E-06
   0.963E+00 0.956E+01 -.280E+02   -.968E+00 -.937E+01 0.279E+02   0.444E-02 -.186E+00 0.977E-01   0.211E-05 0.354E-04 0.176E-04
   -.971E+00 -.955E+01 0.280E+02   0.976E+00 0.936E+01 -.279E+02   -.439E-02 0.186E+00 -.977E-01   -.369E-05 -.417E-04 -.190E-04
   0.755E+00 -.919E+01 -.204E+02   -.712E+00 0.923E+01 0.202E+02   -.428E-01 -.406E-01 0.271E+00   -.155E-04 -.382E-04 0.680E-04
   -.169E+01 -.620E+02 0.460E+01   0.169E+01 0.619E+02 -.485E+01   0.489E-02 0.638E-01 0.244E+00   0.596E-05 -.796E-05 0.131E-03
   -.755E+00 0.920E+01 0.204E+02   0.712E+00 -.924E+01 -.202E+02   0.427E-01 0.409E-01 -.271E+00   0.160E-04 0.375E-04 -.661E-04
   0.170E+01 0.620E+02 -.461E+01   -.169E+01 -.619E+02 0.486E+01   -.512E-02 -.637E-01 -.244E+00   -.844E-05 0.815E-05 -.133E-03
 -----------------------------------------------------------------------------------------------
   -.321E-03 -.204E-04 -.144E-03   0.999E-14 0.924E-13 -.355E-14   0.321E-03 0.101E-02 0.657E-04   0.274E-04 -.542E-05 0.199E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06996      6.35792      7.88781        -0.001420      0.002100      0.001461
     -2.91040      8.15497      4.54018         0.001624     -0.002098     -0.001508
     -1.04314      1.16368      4.62820        -0.002225     -0.001772      0.006255
     -2.90189      5.24049      2.40082        -0.000106     -0.002577      0.001355
      1.19284      1.83218      0.31476        -0.000066     -0.002423      0.000877
     -3.08486      2.93045      5.68304        -0.000346      0.000060     -0.000116
     -0.94208      4.03194      4.03768         0.000538      0.002033     -0.000495
     -1.02706      4.59569      6.88018         0.002475      0.001741     -0.006460
      3.15270      0.62375      1.95173        -0.000125      0.002550     -0.001475
     -5.03982      7.30721      6.14281        -0.000085      0.000054     -0.000014
     -0.84854      3.63464      1.26109        -0.000698     -0.001538     -0.002318
      1.09921      2.22966      3.09139         0.000624      0.001740      0.002429
     -0.84994      6.70238      3.45699         0.000180      0.001109     -0.003421
     -2.99631      5.53223      5.14232         0.000155     -0.003661     -0.005378
     -2.80942      7.91536      1.81515        -0.000251     -0.000878      0.003417
      0.92618      0.22711      6.36602        -0.000275      0.003559      0.005390
 -----------------------------------------------------------------------------------
    total drift:                                0.000028      0.000981     -0.000058


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87785999 eV

  energy  without entropy=      -49.88280467  energy(sigma->0) =      -49.87950822
 
 d Force = 0.4906027E-04[ 0.410E-04, 0.571E-04]  d Energy = 0.6007427E-04-0.110E-04
 d Force =-0.4399078E-01[-0.443E-01,-0.437E-01]  d Ewald  =-0.1478305E+00 0.104E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000060  1 .order   -0.000062   -0.000073   -0.000051
  (g-gl).g = 0.340E-04      g.g   = 0.362E-04  gl.gl    = 0.429E-04
 g(Force)  = 0.280E-04   g(Stress)= 0.816E-05 ortho     = 0.119E-05
 gamma     =   0.79246
 trial     =   1.95587
 opt step  =   6.46660  (harmonic =   6.46660) maximal distance =0.00499890
 next E    =   -49.877920   (d E  =  -0.00012)


--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  127.18: real time  127.57


----------------------------------------- Iteration   17(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.60: real time   15.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.72
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.35: real time   17.40

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) : 0.1243714E-03  (-0.4863318E-01)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0565203 magnetization 

 Broyden mixing:
  rms(total) = 0.10927E-01    rms(broyden)= 0.10926E-01
  rms(prec ) = 0.14811E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.15849995
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45098537
  PAW double counting   =      9486.75926185    -9414.72534378
  entropy T*S    EENTRO =         0.00486126
  eigenvalues    EBANDS =      -338.96833355
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87773565 eV

  energy without entropy =      -49.88259691  energy(sigma->0) =      -49.87935607


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.95: real time   19.00
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.68: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.67: real time   20.73

 eigenvalue-minimisations  :  8736
 total energy-change (2. order) :-0.3032148E-03  (-0.6121716E-03)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0532402 magnetization 

 Broyden mixing:
  rms(total) = 0.64037E-02    rms(broyden)= 0.64035E-02
  rms(prec ) = 0.87014E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0508
  1.0508

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.31496067
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45727916
  PAW double counting   =      9486.84880505    -9414.81024795
  entropy T*S    EENTRO =         0.00490410
  eigenvalues    EBANDS =      -338.82315170
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87803886 eV

  energy without entropy =      -49.88294297  energy(sigma->0) =      -49.87967357


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   20.02: real time   20.13
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.67: real time    1.69
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.73: real time   21.84

 eigenvalue-minimisations  :  9360
 total energy-change (2. order) : 0.9797413E-04  (-0.3263219E-04)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0528890 magnetization 

 Broyden mixing:
  rms(total) = 0.29054E-02    rms(broyden)= 0.29054E-02
  rms(prec ) = 0.38928E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4322
  0.8582  2.0062

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.31682083
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45753981
  PAW double counting   =      9486.89170514    -9414.85428715
  entropy T*S    EENTRO =         0.00490736
  eigenvalues    EBANDS =      -338.82031837
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87794089 eV

  energy without entropy =      -49.88284825  energy(sigma->0) =      -49.87957668


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.85: real time   17.92
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.61: real time   19.71

 eigenvalue-minimisations  :  8064
 total energy-change (2. order) : 0.2470428E-04  (-0.7104938E-05)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0528046 magnetization 

 Broyden mixing:
  rms(total) = 0.96016E-03    rms(broyden)= 0.96014E-03
  rms(prec ) = 0.10966E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3702
  1.9855  0.9477  1.1772

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.32297900
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45809435
  PAW double counting   =      9486.69802090    -9414.66214977
  entropy T*S    EENTRO =         0.00491757
  eigenvalues    EBANDS =      -338.81315337
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87791619 eV

  energy without entropy =      -49.88283376  energy(sigma->0) =      -49.87955538


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.18: real time   19.23
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.72: real time    1.73
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   20.93: real time   20.99

 eigenvalue-minimisations  :  8864
 total energy-change (2. order) : 0.2731431E-06  (-0.5920954E-06)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0529043 magnetization 

 Broyden mixing:
  rms(total) = 0.62472E-03    rms(broyden)= 0.62470E-03
  rms(prec ) = 0.65858E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5394
  2.2012  2.2012  0.9497  0.8053

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.31949956
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45805275
  PAW double counting   =      9486.62414644    -9414.58863359
  entropy T*S    EENTRO =         0.00491921
  eigenvalues    EBANDS =      -338.81623431
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87791591 eV

  energy without entropy =      -49.88283512  energy(sigma->0) =      -49.87955565


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   18.09: real time   18.15
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   18.12: real time   18.18

 eigenvalue-minimisations  :  8192
 total energy-change (2. order) : 0.5192851E-07  (-0.5240516E-07)
 number of electron     120.0000036 magnetization 
 augmentation part       42.0529043 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.09656896
  Ewald energy   TEWEN  =     -8354.54681112
  -1/2 Hartree   DENC   =     -1872.32022221
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.45813965
  PAW double counting   =      9486.55550755    -9414.52030994
  entropy T*S    EENTRO =         0.00492069
  eigenvalues    EBANDS =      -338.81528474
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87791586 eV

  energy without entropy =      -49.88283655  energy(sigma->0) =      -49.87955609


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4586       2 -67.4586       3 -67.5470       4 -67.5110       5 -67.5387
       6 -67.5995       7 -67.5386       8 -67.5471       9 -67.5110      10 -58.8753
      11 -59.0072      12 -59.0072      13 -58.7075      14 -58.7509      15 -58.7076
      16 -58.7509
 
 
 
 E-fermi :   6.0182     XC(G=0): -10.7483     alpha+bet :-12.3640


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6576      2.00000
      5     -39.6573      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.9467      2.00000
      9      -0.6550      2.00000
     10      -0.1284      2.00000
     11       0.1666      2.00000
     12       0.2614      2.00000
     13       0.2907      2.00000
     14       0.4320      2.00000
     15       0.5311      2.00000
     16       0.6037      2.00000
     17       0.6284      2.00000
     18       0.6679      2.00000
     19       0.7403      2.00000
     20       0.8912      2.00000
     21       0.9390      2.00000
     22       1.0519      2.00000
     23       1.0951      2.00000
     24       1.1846      2.00000
     25       1.2180      2.00000
     26       1.2797      2.00000
     27       1.3097      2.00000
     28       1.5791      2.00000
     29       1.6486      2.00000
     30       1.7124      2.00000
     31       1.7392      2.00000
     32       1.7906      2.00000
     33       1.9191      2.00000
     34       1.9391      2.00000
     35       2.1484      2.00000
     36       2.1713      2.00000
     37       2.2755      2.00000
     38       2.3075      2.00000
     39       2.4477      2.00000
     40       2.5272      2.00000
     41       2.5842      2.00000
     42       2.6364      2.00000
     43       2.7255      2.00000
     44       2.8664      2.00000
     45       2.8704      2.00000
     46       2.9038      2.00000
     47       2.9998      2.00000
     48       3.0422      2.00000
     49       3.0974      2.00000
     50       3.1280      2.00000
     51       3.3278      2.00000
     52       3.3801      2.00000
     53       3.5008      2.00000
     54       3.5825      2.00000
     55       3.8944      2.00000
     56       4.0705      2.00000
     57       4.2279      2.00000
     58       4.2295      2.00000
     59       4.9543      2.00000
     60       5.6173      2.01575
     61       6.2847     -0.06785
     62       8.1820     -0.00000
     63       8.2900     -0.00000
     64       8.3223     -0.00000
     65       8.9329     -0.00000
     66       9.6699     -0.00000
     67      10.3857     -0.00000
     68      10.7350     -0.00000
     69      11.4858      0.00000
     70      11.7638      0.00000
     71      11.8276      0.00000
     72      12.0511      0.00000
     73      12.2697      0.00000
     74      12.3410      0.00000
     75      12.5196      0.00000
     76      12.7974      0.00000
     77      13.2900      0.00000
     78      13.6655      0.00000
     79      13.7857      0.00000
     80      14.6384      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6746      2.00000
      9      -0.5758      2.00000
     10      -0.2751      2.00000
     11       0.2592      2.00000
     12       0.2781      2.00000
     13       0.3852      2.00000
     14       0.4620      2.00000
     15       0.5970      2.00000
     16       0.6100      2.00000
     17       0.7288      2.00000
     18       0.8218      2.00000
     19       0.9071      2.00000
     20       0.9321      2.00000
     21       0.9732      2.00000
     22       1.0972      2.00000
     23       1.1161      2.00000
     24       1.1958      2.00000
     25       1.2460      2.00000
     26       1.3466      2.00000
     27       1.3800      2.00000
     28       1.4934      2.00000
     29       1.6265      2.00000
     30       1.6593      2.00000
     31       1.7501      2.00000
     32       1.8202      2.00000
     33       1.8538      2.00000
     34       2.0079      2.00000
     35       2.0346      2.00000
     36       2.1714      2.00000
     37       2.2501      2.00000
     38       2.3594      2.00000
     39       2.4539      2.00000
     40       2.5027      2.00000
     41       2.5632      2.00000
     42       2.6042      2.00000
     43       2.6825      2.00000
     44       2.7331      2.00000
     45       2.8015      2.00000
     46       2.8202      2.00000
     47       2.9220      2.00000
     48       3.0503      2.00000
     49       3.1107      2.00000
     50       3.1937      2.00000
     51       3.2365      2.00000
     52       3.2675      2.00000
     53       3.4161      2.00000
     54       3.6145      2.00000
     55       3.7133      2.00000
     56       3.8486      2.00000
     57       4.0941      2.00000
     58       4.5817      2.00000
     59       5.5151      2.00216
     60       6.2812     -0.06871
     61       6.7923     -0.00000
     62       7.0968     -0.00000
     63       7.7161     -0.00000
     64       8.1555     -0.00000
     65       8.5826     -0.00000
     66       8.7192     -0.00000
     67       9.6343     -0.00000
     68      10.2956     -0.00000
     69      10.6186     -0.00000
     70      10.6596     -0.00000
     71      11.1312     -0.00000
     72      11.7185      0.00000
     73      12.5555      0.00000
     74      12.9480      0.00000
     75      13.2251      0.00000
     76      13.2943      0.00000
     77      13.4797      0.00000
     78      13.8515      0.00000
     79      14.4461      0.00000
     80      14.7162      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0342      2.00000
      9      -0.4141      2.00000
     10      -0.1274      2.00000
     11       0.3189      2.00000
     12       0.4192      2.00000
     13       0.4967      2.00000
     14       0.5836      2.00000
     15       0.6445      2.00000
     16       0.7329      2.00000
     17       0.8377      2.00000
     18       0.9134      2.00000
     19       0.9948      2.00000
     20       1.0408      2.00000
     21       1.0743      2.00000
     22       1.1718      2.00000
     23       1.2270      2.00000
     24       1.2776      2.00000
     25       1.3071      2.00000
     26       1.3554      2.00000
     27       1.4524      2.00000
     28       1.5507      2.00000
     29       1.6036      2.00000
     30       1.7236      2.00000
     31       1.8118      2.00000
     32       1.8568      2.00000
     33       1.9573      2.00000
     34       2.0148      2.00000
     35       2.1091      2.00000
     36       2.1222      2.00000
     37       2.1888      2.00000
     38       2.2529      2.00000
     39       2.3039      2.00000
     40       2.3997      2.00000
     41       2.4890      2.00000
     42       2.5371      2.00000
     43       2.6540      2.00000
     44       2.6934      2.00000
     45       2.7421      2.00000
     46       2.7935      2.00000
     47       2.8375      2.00000
     48       2.9233      2.00000
     49       3.0111      2.00000
     50       3.0971      2.00000
     51       3.1408      2.00000
     52       3.2332      2.00000
     53       3.3595      2.00000
     54       3.4568      2.00000
     55       3.5803      2.00000
     56       3.8192      2.00000
     57       4.6125      2.00000
     58       5.0084      2.00000
     59       5.4429      2.00037
     60       5.7854      2.06969
     61       6.4828     -0.00493
     62       6.8381     -0.00000
     63       6.9856     -0.00000
     64       7.5276     -0.00000
     65       7.9920     -0.00000
     66       8.3446     -0.00000
     67       8.6809     -0.00000
     68       9.4179     -0.00000
     69       9.8046     -0.00000
     70      10.3518     -0.00000
     71      10.4710     -0.00000
     72      10.7887     -0.00000
     73      11.4069     -0.00000
     74      12.1852      0.00000
     75      13.1269      0.00000
     76      13.6984      0.00000
     77      13.7621      0.00000
     78      13.8784      0.00000
     79      14.2807      0.00000
     80      14.6929      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3921      2.00000
      9      -0.1105      2.00000
     10       0.0895      2.00000
     11       0.1610      2.00000
     12       0.4825      2.00000
     13       0.5073      2.00000
     14       0.5584      2.00000
     15       0.6331      2.00000
     16       0.8234      2.00000
     17       0.9162      2.00000
     18       0.9306      2.00000
     19       1.1107      2.00000
     20       1.1680      2.00000
     21       1.1824      2.00000
     22       1.2639      2.00000
     23       1.3689      2.00000
     24       1.3876      2.00000
     25       1.4040      2.00000
     26       1.4767      2.00000
     27       1.5165      2.00000
     28       1.6426      2.00000
     29       1.6818      2.00000
     30       1.7310      2.00000
     31       1.8034      2.00000
     32       1.9104      2.00000
     33       1.9546      2.00000
     34       2.0604      2.00000
     35       2.1455      2.00000
     36       2.1636      2.00000
     37       2.1825      2.00000
     38       2.2771      2.00000
     39       2.3134      2.00000
     40       2.3715      2.00000
     41       2.4620      2.00000
     42       2.4801      2.00000
     43       2.5483      2.00000
     44       2.6382      2.00000
     45       2.6687      2.00000
     46       2.7569      2.00000
     47       2.8011      2.00000
     48       2.8389      2.00000
     49       2.9219      2.00000
     50       3.0586      2.00000
     51       3.1623      2.00000
     52       3.2667      2.00000
     53       3.3623      2.00000
     54       3.5534      2.00000
     55       3.6356      2.00000
     56       3.8253      2.00000
     57       4.1476      2.00000
     58       4.2967      2.00000
     59       5.1360      2.00000
     60       5.8616      1.97129
     61       6.0530      0.71100
     62       6.1745      0.02992
     63       6.8153     -0.00000
     64       7.0780     -0.00000
     65       7.6635     -0.00000
     66       8.2139     -0.00000
     67       8.4844     -0.00000
     68       8.8349     -0.00000
     69       9.4876     -0.00000
     70       9.7756     -0.00000
     71      10.5225     -0.00000
     72      10.9671     -0.00000
     73      11.1280     -0.00000
     74      11.7866      0.00000
     75      12.2772      0.00000
     76      12.7693      0.00000
     77      13.4047      0.00000
     78      13.7783      0.00000
     79      13.9609      0.00000
     80      14.6516      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9167      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6571      2.00000
      6     -39.6143      2.00000
      7     -39.6111      2.00000
      8      -0.4467      2.00000
      9      -0.1801      2.00000
     10       0.0358      2.00000
     11       0.1343      2.00000
     12       0.5024      2.00000
     13       0.5246      2.00000
     14       0.7028      2.00000
     15       0.7387      2.00000
     16       0.8725      2.00000
     17       0.9116      2.00000
     18       0.9884      2.00000
     19       1.0646      2.00000
     20       1.0861      2.00000
     21       1.2379      2.00000
     22       1.2745      2.00000
     23       1.3262      2.00000
     24       1.3835      2.00000
     25       1.3930      2.00000
     26       1.4451      2.00000
     27       1.4933      2.00000
     28       1.6666      2.00000
     29       1.6982      2.00000
     30       1.7438      2.00000
     31       1.8005      2.00000
     32       1.8790      2.00000
     33       1.9039      2.00000
     34       2.0432      2.00000
     35       2.0826      2.00000
     36       2.1444      2.00000
     37       2.1619      2.00000
     38       2.2295      2.00000
     39       2.3380      2.00000
     40       2.4396      2.00000
     41       2.4634      2.00000
     42       2.5409      2.00000
     43       2.5819      2.00000
     44       2.6259      2.00000
     45       2.6737      2.00000
     46       2.7307      2.00000
     47       2.8086      2.00000
     48       2.8465      2.00000
     49       2.9072      2.00000
     50       3.0965      2.00000
     51       3.1799      2.00000
     52       3.2046      2.00000
     53       3.5177      2.00000
     54       3.5497      2.00000
     55       3.7411      2.00000
     56       4.2021      2.00000
     57       4.3917      2.00000
     58       4.5646      2.00000
     59       4.7222      2.00000
     60       5.1851      2.00000
     61       5.6198      2.01639
     62       6.0825      0.48602
     63       6.1008      0.36300
     64       7.1054     -0.00000
     65       8.2597     -0.00000
     66       8.3931     -0.00000
     67       8.9074     -0.00000
     68       9.1481     -0.00000
     69       9.2515     -0.00000
     70       9.9634     -0.00000
     71      10.4688     -0.00000
     72      10.5988     -0.00000
     73      11.3562     -0.00000
     74      11.9279      0.00000
     75      12.5791      0.00000
     76      13.1456      0.00000
     77      13.5137      0.00000
     78      13.8788      0.00000
     79      14.1294      0.00000
     80      14.4494      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6172      2.00000
      7     -39.6080      2.00000
      8      -1.1644      2.00000
      9      -0.4823      2.00000
     10       0.0227      2.00000
     11       0.1454      2.00000
     12       0.5181      2.00000
     13       0.5855      2.00000
     14       0.6481      2.00000
     15       0.6853      2.00000
     16       0.8190      2.00000
     17       0.8335      2.00000
     18       0.8688      2.00000
     19       0.9559      2.00000
     20       1.0866      2.00000
     21       1.1258      2.00000
     22       1.1865      2.00000
     23       1.2070      2.00000
     24       1.3025      2.00000
     25       1.3366      2.00000
     26       1.3933      2.00000
     27       1.4439      2.00000
     28       1.4734      2.00000
     29       1.6354      2.00000
     30       1.7350      2.00000
     31       1.7620      2.00000
     32       1.8391      2.00000
     33       1.8987      2.00000
     34       1.9595      2.00000
     35       2.0557      2.00000
     36       2.1581      2.00000
     37       2.2253      2.00000
     38       2.2937      2.00000
     39       2.3619      2.00000
     40       2.4411      2.00000
     41       2.5173      2.00000
     42       2.5548      2.00000
     43       2.6022      2.00000
     44       2.6571      2.00000
     45       2.7673      2.00000
     46       2.7905      2.00000
     47       2.8751      2.00000
     48       2.8876      2.00000
     49       3.0463      2.00000
     50       3.0884      2.00000
     51       3.1354      2.00000
     52       3.2062      2.00000
     53       3.3152      2.00000
     54       3.5302      2.00000
     55       3.6985      2.00000
     56       4.0979      2.00000
     57       4.4552      2.00000
     58       4.8463      2.00000
     59       5.4954      2.00137
     60       5.7040      2.04881
     61       6.0806      0.49965
     62       6.3602     -0.03623
     63       6.9665     -0.00000
     64       7.1820     -0.00000
     65       7.5819     -0.00000
     66       8.2274     -0.00000
     67       8.9725     -0.00000
     68       9.2489     -0.00000
     69      10.2408     -0.00000
     70      11.0445     -0.00000
     71      11.3079     -0.00000
     72      11.6834      0.00000
     73      12.1241      0.00000
     74      12.3694      0.00000
     75      12.7908      0.00000
     76      13.4244      0.00000
     77      13.6297      0.00000
     78      13.8954      0.00000
     79      14.2911      0.00000
     80      14.4089      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.7585      2.00000
      9      -0.6388      2.00000
     10       0.0393      2.00000
     11       0.1782      2.00000
     12       0.3278      2.00000
     13       0.3354      2.00000
     14       0.4023      2.00000
     15       0.6241      2.00000
     16       0.6416      2.00000
     17       0.7305      2.00000
     18       0.8093      2.00000
     19       0.8828      2.00000
     20       0.9058      2.00000
     21       1.0598      2.00000
     22       1.0636      2.00000
     23       1.1498      2.00000
     24       1.2157      2.00000
     25       1.2747      2.00000
     26       1.2988      2.00000
     27       1.3297      2.00000
     28       1.4604      2.00000
     29       1.6626      2.00000
     30       1.6800      2.00000
     31       1.7679      2.00000
     32       1.8280      2.00000
     33       1.9014      2.00000
     34       1.9210      2.00000
     35       2.0752      2.00000
     36       2.1528      2.00000
     37       2.2842      2.00000
     38       2.3340      2.00000
     39       2.3812      2.00000
     40       2.4822      2.00000
     41       2.5183      2.00000
     42       2.6186      2.00000
     43       2.7386      2.00000
     44       2.7944      2.00000
     45       2.8253      2.00000
     46       2.8691      2.00000
     47       2.9318      2.00000
     48       3.0215      2.00000
     49       3.0879      2.00000
     50       3.1235      2.00000
     51       3.2066      2.00000
     52       3.2645      2.00000
     53       3.4346      2.00000
     54       3.6774      2.00000
     55       3.7915      2.00000
     56       3.9464      2.00000
     57       4.1208      2.00000
     58       4.8600      2.00000
     59       5.0406      2.00000
     60       5.5599      2.00558
     61       6.7276     -0.00001
     62       7.1750     -0.00000
     63       7.7275     -0.00000
     64       8.2265     -0.00000
     65       8.6890     -0.00000
     66       8.9765     -0.00000
     67       9.3888     -0.00000
     68      10.1917     -0.00000
     69      10.7681     -0.00000
     70      10.8330     -0.00000
     71      11.4140     -0.00000
     72      12.4704      0.00000
     73      12.8930      0.00000
     74      13.0671      0.00000
     75      13.2586      0.00000
     76      13.4418      0.00000
     77      13.8037      0.00000
     78      13.8761      0.00000
     79      14.3093      0.00000
     80      14.4221      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6577      2.00000
      5     -39.6572      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.8666      2.00000
      9      -0.8996      2.00000
     10      -0.0352      2.00000
     11       0.1599      2.00000
     12       0.2090      2.00000
     13       0.2927      2.00000
     14       0.4253      2.00000
     15       0.5771      2.00000
     16       0.6073      2.00000
     17       0.6200      2.00000
     18       0.6847      2.00000
     19       0.7697      2.00000
     20       0.8423      2.00000
     21       0.9342      2.00000
     22       1.0358      2.00000
     23       1.0774      2.00000
     24       1.2469      2.00000
     25       1.2947      2.00000
     26       1.3908      2.00000
     27       1.4127      2.00000
     28       1.5878      2.00000
     29       1.6050      2.00000
     30       1.6469      2.00000
     31       1.7028      2.00000
     32       1.8017      2.00000
     33       1.8815      2.00000
     34       1.9422      2.00000
     35       2.1674      2.00000
     36       2.2192      2.00000
     37       2.2321      2.00000
     38       2.2930      2.00000
     39       2.4406      2.00000
     40       2.4980      2.00000
     41       2.6190      2.00000
     42       2.6580      2.00000
     43       2.6648      2.00000
     44       2.8184      2.00000
     45       2.8380      2.00000
     46       2.8834      2.00000
     47       2.9048      2.00000
     48       3.0567      2.00000
     49       3.1056      2.00000
     50       3.1445      2.00000
     51       3.3200      2.00000
     52       3.3614      2.00000
     53       3.4569      2.00000
     54       3.6311      2.00000
     55       3.9580      2.00000
     56       4.2182      2.00000
     57       4.2297      2.00000
     58       4.3430      2.00000
     59       4.8965      2.00000
     60       6.2800     -0.06897
     61       6.4982     -0.00358
     62       6.9209     -0.00000
     63       7.1824     -0.00000
     64       8.8179     -0.00000
     65       9.5482     -0.00000
     66       9.7131     -0.00000
     67       9.8955     -0.00000
     68      10.9879     -0.00000
     69      11.2002     -0.00000
     70      11.2898     -0.00000
     71      11.4511     -0.00000
     72      12.3099      0.00000
     73      12.6860      0.00000
     74      13.1297      0.00000
     75      13.3878      0.00000
     76      13.5224      0.00000
     77      13.8239      0.00000
     78      13.9896      0.00000
     79      14.2727      0.00000
     80      14.5313      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.5861      2.00000
      9      -0.8189      2.00000
     10      -0.1513      2.00000
     11       0.2243      2.00000
     12       0.2619      2.00000
     13       0.4215      2.00000
     14       0.4991      2.00000
     15       0.5729      2.00000
     16       0.6159      2.00000
     17       0.6858      2.00000
     18       0.7840      2.00000
     19       0.8833      2.00000
     20       0.9547      2.00000
     21       0.9817      2.00000
     22       1.0491      2.00000
     23       1.1543      2.00000
     24       1.2124      2.00000
     25       1.2924      2.00000
     26       1.3646      2.00000
     27       1.3999      2.00000
     28       1.5256      2.00000
     29       1.5611      2.00000
     30       1.6158      2.00000
     31       1.6687      2.00000
     32       1.8868      2.00000
     33       1.9656      2.00000
     34       2.0161      2.00000
     35       2.1585      2.00000
     36       2.1834      2.00000
     37       2.2655      2.00000
     38       2.3142      2.00000
     39       2.3621      2.00000
     40       2.3874      2.00000
     41       2.4472      2.00000
     42       2.6540      2.00000
     43       2.6690      2.00000
     44       2.7699      2.00000
     45       2.7884      2.00000
     46       2.8372      2.00000
     47       2.9797      2.00000
     48       3.0084      2.00000
     49       3.1140      2.00000
     50       3.1765      2.00000
     51       3.1840      2.00000
     52       3.3035      2.00000
     53       3.4557      2.00000
     54       3.6460      2.00000
     55       3.6988      2.00000
     56       3.8885      2.00000
     57       4.4310      2.00000
     58       4.8986      2.00000
     59       5.5435      2.00400
     60       5.8551      1.98785
     61       6.4998     -0.00346
     62       7.0442     -0.00000
     63       7.5195     -0.00000
     64       8.0690     -0.00000
     65       8.3041     -0.00000
     66       8.9184     -0.00000
     67       9.4054     -0.00000
     68       9.6687     -0.00000
     69      10.4565     -0.00000
     70      12.0066      0.00000
     71      12.3023      0.00000
     72      12.3944      0.00000
     73      12.5573      0.00000
     74      12.7185      0.00000
     75      12.8401      0.00000
     76      13.3239      0.00000
     77      13.6020      0.00000
     78      13.9229      0.00000
     79      14.0047      0.00000
     80      14.4110      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0296      2.00000
      9      -0.3882      2.00000
     10      -0.1365      2.00000
     11       0.3186      2.00000
     12       0.3942      2.00000
     13       0.4924      2.00000
     14       0.5294      2.00000
     15       0.6700      2.00000
     16       0.7782      2.00000
     17       0.8109      2.00000
     18       0.9294      2.00000
     19       0.9382      2.00000
     20       1.0264      2.00000
     21       1.0707      2.00000
     22       1.1590      2.00000
     23       1.2145      2.00000
     24       1.3015      2.00000
     25       1.3485      2.00000
     26       1.4083      2.00000
     27       1.4745      2.00000
     28       1.5443      2.00000
     29       1.6094      2.00000
     30       1.7506      2.00000
     31       1.8213      2.00000
     32       1.8842      2.00000
     33       1.9209      2.00000
     34       1.9857      2.00000
     35       2.0404      2.00000
     36       2.0804      2.00000
     37       2.1340      2.00000
     38       2.2103      2.00000
     39       2.3107      2.00000
     40       2.4627      2.00000
     41       2.5000      2.00000
     42       2.5613      2.00000
     43       2.6215      2.00000
     44       2.6806      2.00000
     45       2.7939      2.00000
     46       2.8193      2.00000
     47       2.8718      2.00000
     48       2.9179      2.00000
     49       2.9694      2.00000
     50       3.0808      2.00000
     51       3.1679      2.00000
     52       3.2443      2.00000
     53       3.2805      2.00000
     54       3.4663      2.00000
     55       3.6052      2.00000
     56       4.0079      2.00000
     57       4.4749      2.00000
     58       5.2515      2.00000
     59       5.6778      2.03690
     60       5.8986      1.83838
     61       6.2899     -0.06636
     62       6.5192     -0.00226
     63       6.6957     -0.00002
     64       7.4391     -0.00000
     65       7.6867     -0.00000
     66       8.1048     -0.00000
     67       9.1333     -0.00000
     68       9.8310     -0.00000
     69       9.9401     -0.00000
     70      10.1140     -0.00000
     71      11.0994     -0.00000
     72      11.1841     -0.00000
     73      11.7606      0.00000
     74      12.0748      0.00000
     75      12.4183      0.00000
     76      12.7644      0.00000
     77      13.2887      0.00000
     78      13.6698      0.00000
     79      14.0609      0.00000
     80      14.4109      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3925      2.00000
      9      -0.0884      2.00000
     10       0.0687      2.00000
     11       0.1419      2.00000
     12       0.4141      2.00000
     13       0.5150      2.00000
     14       0.6015      2.00000
     15       0.7107      2.00000
     16       0.8494      2.00000
     17       0.9004      2.00000
     18       0.9116      2.00000
     19       1.0928      2.00000
     20       1.1495      2.00000
     21       1.1788      2.00000
     22       1.2434      2.00000
     23       1.3127      2.00000
     24       1.3983      2.00000
     25       1.4582      2.00000
     26       1.4902      2.00000
     27       1.5927      2.00000
     28       1.6653      2.00000
     29       1.7084      2.00000
     30       1.7279      2.00000
     31       1.8322      2.00000
     32       1.8772      2.00000
     33       1.9566      2.00000
     34       1.9784      2.00000
     35       2.0704      2.00000
     36       2.1200      2.00000
     37       2.2326      2.00000
     38       2.2988      2.00000
     39       2.3443      2.00000
     40       2.3881      2.00000
     41       2.4541      2.00000
     42       2.5098      2.00000
     43       2.5232      2.00000
     44       2.6227      2.00000
     45       2.6880      2.00000
     46       2.7294      2.00000
     47       2.7913      2.00000
     48       2.8417      2.00000
     49       2.8681      2.00000
     50       3.0665      2.00000
     51       3.1376      2.00000
     52       3.2671      2.00000
     53       3.3225      2.00000
     54       3.4778      2.00000
     55       3.5847      2.00000
     56       3.7318      2.00000
     57       4.4111      2.00000
     58       4.7761      2.00000
     59       5.1269      2.00000
     60       5.6581      2.02880
     61       5.9476      1.55851
     62       6.2057     -0.03467
     63       6.5137     -0.00256
     64       6.7316     -0.00001
     65       7.7431     -0.00000
     66       8.0482     -0.00000
     67       8.5056     -0.00000
     68       9.3120     -0.00000
     69       9.7487     -0.00000
     70      10.1715     -0.00000
     71      10.8631     -0.00000
     72      10.9719     -0.00000
     73      11.3738     -0.00000
     74      11.5810      0.00000
     75      12.1170      0.00000
     76      12.4533      0.00000
     77      13.1304      0.00000
     78      13.4210      0.00000
     79      14.0181      0.00000
     80      14.2843      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4434      2.00000
      9      -0.1566      2.00000
     10      -0.0401      2.00000
     11       0.1338      2.00000
     12       0.5459      2.00000
     13       0.6626      2.00000
     14       0.6974      2.00000
     15       0.7259      2.00000
     16       0.7958      2.00000
     17       0.8804      2.00000
     18       0.9517      2.00000
     19       1.0782      2.00000
     20       1.1030      2.00000
     21       1.1357      2.00000
     22       1.2597      2.00000
     23       1.3333      2.00000
     24       1.3647      2.00000
     25       1.3898      2.00000
     26       1.5399      2.00000
     27       1.5846      2.00000
     28       1.6669      2.00000
     29       1.7112      2.00000
     30       1.7591      2.00000
     31       1.8143      2.00000
     32       1.8523      2.00000
     33       1.9571      2.00000
     34       2.0001      2.00000
     35       2.0888      2.00000
     36       2.1599      2.00000
     37       2.2370      2.00000
     38       2.3251      2.00000
     39       2.3368      2.00000
     40       2.4455      2.00000
     41       2.4660      2.00000
     42       2.4912      2.00000
     43       2.5165      2.00000
     44       2.5612      2.00000
     45       2.5787      2.00000
     46       2.7191      2.00000
     47       2.7575      2.00000
     48       2.8091      2.00000
     49       2.8788      2.00000
     50       3.1232      2.00000
     51       3.1605      2.00000
     52       3.2849      2.00000
     53       3.5081      2.00000
     54       3.5703      2.00000
     55       3.6428      2.00000
     56       4.0700      2.00000
     57       4.4072      2.00000
     58       4.5169      2.00000
     59       5.0011      2.00000
     60       5.1451      2.00000
     61       5.8126      2.05560
     62       6.1413      0.14633
     63       6.5090     -0.00284
     64       7.1516     -0.00000
     65       7.2533     -0.00000
     66       7.7697     -0.00000
     67       8.3320     -0.00000
     68       9.5416     -0.00000
     69       9.9767     -0.00000
     70      10.5739     -0.00000
     71      10.9922     -0.00000
     72      11.2529     -0.00000
     73      11.7927      0.00000
     74      12.0325      0.00000
     75      12.2667      0.00000
     76      12.8781      0.00000
     77      13.1345      0.00000
     78      13.3257      0.00000
     79      14.1303      0.00000
     80      14.3327      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6572      2.00000
      5     -39.6572      2.00000
      6     -39.6173      2.00000
      7     -39.6080      2.00000
      8      -1.2100      2.00000
      9      -0.3475      2.00000
     10      -0.0791      2.00000
     11       0.1043      2.00000
     12       0.5462      2.00000
     13       0.5701      2.00000
     14       0.6358      2.00000
     15       0.7096      2.00000
     16       0.8418      2.00000
     17       0.8758      2.00000
     18       0.9420      2.00000
     19       1.0000      2.00000
     20       1.0817      2.00000
     21       1.1066      2.00000
     22       1.1714      2.00000
     23       1.2443      2.00000
     24       1.2606      2.00000
     25       1.3164      2.00000
     26       1.3833      2.00000
     27       1.3897      2.00000
     28       1.5509      2.00000
     29       1.6742      2.00000
     30       1.6977      2.00000
     31       1.8128      2.00000
     32       1.8798      2.00000
     33       1.9251      2.00000
     34       2.0029      2.00000
     35       2.0220      2.00000
     36       2.0519      2.00000
     37       2.1560      2.00000
     38       2.2033      2.00000
     39       2.3978      2.00000
     40       2.4369      2.00000
     41       2.4887      2.00000
     42       2.5367      2.00000
     43       2.6163      2.00000
     44       2.6596      2.00000
     45       2.7658      2.00000
     46       2.8530      2.00000
     47       2.8820      2.00000
     48       2.9149      2.00000
     49       3.0185      2.00000
     50       3.0517      2.00000
     51       3.0994      2.00000
     52       3.1890      2.00000
     53       3.2805      2.00000
     54       3.5270      2.00000
     55       3.6498      2.00000
     56       4.0034      2.00000
     57       4.3324      2.00000
     58       5.3237      2.00001
     59       5.4716      2.00077
     60       5.6624      2.03050
     61       5.8377      2.02367
     62       6.6289     -0.00014
     63       6.9570     -0.00000
     64       7.4585     -0.00000
     65       7.8314     -0.00000
     66       7.8965     -0.00000
     67       8.4552     -0.00000
     68       9.6870     -0.00000
     69       9.9851     -0.00000
     70      10.4215     -0.00000
     71      11.7515      0.00000
     72      12.2386      0.00000
     73      12.5543      0.00000
     74      12.8792      0.00000
     75      13.0815      0.00000
     76      13.3945      0.00000
     77      13.4502      0.00000
     78      13.5357      0.00000
     79      13.8839      0.00000
     80      14.0985      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.7458      2.00000
      9      -0.6734      2.00000
     10       0.0089      2.00000
     11       0.2315      2.00000
     12       0.3176      2.00000
     13       0.3383      2.00000
     14       0.4018      2.00000
     15       0.6250      2.00000
     16       0.6376      2.00000
     17       0.7155      2.00000
     18       0.8074      2.00000
     19       0.8735      2.00000
     20       0.9533      2.00000
     21       1.0175      2.00000
     22       1.0844      2.00000
     23       1.1518      2.00000
     24       1.2267      2.00000
     25       1.2568      2.00000
     26       1.3320      2.00000
     27       1.3954      2.00000
     28       1.4366      2.00000
     29       1.6022      2.00000
     30       1.6777      2.00000
     31       1.7222      2.00000
     32       1.8216      2.00000
     33       1.8740      2.00000
     34       1.9543      2.00000
     35       2.1306      2.00000
     36       2.1904      2.00000
     37       2.2568      2.00000
     38       2.3074      2.00000
     39       2.3957      2.00000
     40       2.5125      2.00000
     41       2.5349      2.00000
     42       2.6091      2.00000
     43       2.7215      2.00000
     44       2.7574      2.00000
     45       2.7994      2.00000
     46       2.8794      2.00000
     47       2.9621      2.00000
     48       2.9945      2.00000
     49       3.1164      2.00000
     50       3.1555      2.00000
     51       3.2065      2.00000
     52       3.2841      2.00000
     53       3.4310      2.00000
     54       3.6287      2.00000
     55       3.7784      2.00000
     56       3.9509      2.00000
     57       4.1527      2.00000
     58       4.5054      2.00000
     59       5.2806      2.00000
     60       6.0586      0.66638
     61       6.5828     -0.00049
     62       6.9930     -0.00000
     63       7.7937     -0.00000
     64       8.0687     -0.00000
     65       8.3178     -0.00000
     66       8.7163     -0.00000
     67       9.6816     -0.00000
     68      10.4538     -0.00000
     69      10.9109     -0.00000
     70      11.0375     -0.00000
     71      11.3025     -0.00000
     72      12.4980      0.00000
     73      12.8791      0.00000
     74      13.0359      0.00000
     75      13.1570      0.00000
     76      13.4991      0.00000
     77      13.5846      0.00000
     78      13.9401      0.00000
     79      14.3466      0.00000
     80      14.4734      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9141      2.00000
      3     -39.7813      2.00000
      4     -39.6576      2.00000
      5     -39.6572      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.8588      2.00000
      9      -0.9365      2.00000
     10       0.0351      2.00000
     11       0.1672      2.00000
     12       0.2057      2.00000
     13       0.2871      2.00000
     14       0.4184      2.00000
     15       0.5887      2.00000
     16       0.6098      2.00000
     17       0.6187      2.00000
     18       0.6881      2.00000
     19       0.7194      2.00000
     20       0.8370      2.00000
     21       0.9482      2.00000
     22       1.0860      2.00000
     23       1.1006      2.00000
     24       1.1975      2.00000
     25       1.2670      2.00000
     26       1.3486      2.00000
     27       1.3594      2.00000
     28       1.5505      2.00000
     29       1.6472      2.00000
     30       1.6891      2.00000
     31       1.7084      2.00000
     32       1.7970      2.00000
     33       1.8656      2.00000
     34       1.8953      2.00000
     35       2.1210      2.00000
     36       2.2160      2.00000
     37       2.2516      2.00000
     38       2.3863      2.00000
     39       2.4322      2.00000
     40       2.5251      2.00000
     41       2.5901      2.00000
     42       2.6195      2.00000
     43       2.6756      2.00000
     44       2.8463      2.00000
     45       2.8662      2.00000
     46       2.9827      2.00000
     47       3.0418      2.00000
     48       3.0522      2.00000
     49       3.1225      2.00000
     50       3.1896      2.00000
     51       3.2740      2.00000
     52       3.3137      2.00000
     53       3.5422      2.00000
     54       3.6470      2.00000
     55       3.9169      2.00000
     56       3.9372      2.00000
     57       4.2143      2.00000
     58       4.4040      2.00000
     59       4.9986      2.00000
     60       5.5930      2.01041
     61       6.2198     -0.05182
     62       7.7578     -0.00000
     63       8.1616     -0.00000
     64       8.6123     -0.00000
     65       8.6511     -0.00000
     66       9.7775     -0.00000
     67      10.3959     -0.00000
     68      10.5901     -0.00000
     69      10.8076     -0.00000
     70      11.2531     -0.00000
     71      11.7451      0.00000
     72      12.4624      0.00000
     73      12.7163      0.00000
     74      12.8229      0.00000
     75      13.1382      0.00000
     76      13.2439      0.00000
     77      13.6788      0.00000
     78      14.4272      0.00000
     79      14.4906      0.00000
     80      14.5621      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6572      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6572      2.00000
      9      -0.6558      2.00000
     10      -0.2091      2.00000
     11       0.2435      2.00000
     12       0.2885      2.00000
     13       0.4318      2.00000
     14       0.4360      2.00000
     15       0.5875      2.00000
     16       0.6297      2.00000
     17       0.7219      2.00000
     18       0.7772      2.00000
     19       0.8702      2.00000
     20       0.9372      2.00000
     21       0.9826      2.00000
     22       1.0766      2.00000
     23       1.1423      2.00000
     24       1.1758      2.00000
     25       1.2486      2.00000
     26       1.3597      2.00000
     27       1.3749      2.00000
     28       1.4942      2.00000
     29       1.6212      2.00000
     30       1.6432      2.00000
     31       1.7410      2.00000
     32       1.8763      2.00000
     33       1.8949      2.00000
     34       1.9967      2.00000
     35       2.0750      2.00000
     36       2.1753      2.00000
     37       2.2389      2.00000
     38       2.3187      2.00000
     39       2.4001      2.00000
     40       2.4726      2.00000
     41       2.5639      2.00000
     42       2.6335      2.00000
     43       2.7213      2.00000
     44       2.7633      2.00000
     45       2.8180      2.00000
     46       2.8494      2.00000
     47       2.9284      2.00000
     48       3.0187      2.00000
     49       3.0735      2.00000
     50       3.1415      2.00000
     51       3.2231      2.00000
     52       3.2561      2.00000
     53       3.5444      2.00000
     54       3.6693      2.00000
     55       3.7432      2.00000
     56       3.8110      2.00000
     57       4.0996      2.00000
     58       4.9326      2.00000
     59       5.0777      2.00000
     60       5.8177      2.05080
     61       6.8055     -0.00000
     62       7.1802     -0.00000
     63       7.7798     -0.00000
     64       8.6858     -0.00000
     65       8.9427     -0.00000
     66       9.1126     -0.00000
     67       9.4564     -0.00000
     68       9.6255     -0.00000
     69       9.7864     -0.00000
     70      10.9392     -0.00000
     71      11.5598      0.00000
     72      12.1304      0.00000
     73      12.3228      0.00000
     74      12.4766      0.00000
     75      13.1578      0.00000
     76      13.2935      0.00000
     77      13.6937      0.00000
     78      14.0800      0.00000
     79      14.3936      0.00000
     80      14.5340      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6572      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0769      2.00000
      9      -0.2688      2.00000
     10      -0.2129      2.00000
     11       0.2592      2.00000
     12       0.4234      2.00000
     13       0.5195      2.00000
     14       0.5568      2.00000
     15       0.6763      2.00000
     16       0.7883      2.00000
     17       0.8332      2.00000
     18       0.9107      2.00000
     19       1.0006      2.00000
     20       1.0904      2.00000
     21       1.0996      2.00000
     22       1.1476      2.00000
     23       1.1974      2.00000
     24       1.2277      2.00000
     25       1.2734      2.00000
     26       1.3566      2.00000
     27       1.4930      2.00000
     28       1.5791      2.00000
     29       1.6356      2.00000
     30       1.6620      2.00000
     31       1.8176      2.00000
     32       1.8392      2.00000
     33       1.9958      2.00000
     34       2.0029      2.00000
     35       2.0658      2.00000
     36       2.1646      2.00000
     37       2.2042      2.00000
     38       2.2438      2.00000
     39       2.2968      2.00000
     40       2.3714      2.00000
     41       2.5069      2.00000
     42       2.6283      2.00000
     43       2.6553      2.00000
     44       2.7198      2.00000
     45       2.7574      2.00000
     46       2.8009      2.00000
     47       2.8342      2.00000
     48       2.9305      2.00000
     49       2.9490      2.00000
     50       3.0927      2.00000
     51       3.1173      2.00000
     52       3.2055      2.00000
     53       3.4113      2.00000
     54       3.4919      2.00000
     55       3.5855      2.00000
     56       3.6843      2.00000
     57       4.4248      2.00000
     58       4.7923      2.00000
     59       5.4324      2.00028
     60       5.9924      1.21681
     61       6.6003     -0.00031
     62       6.9332     -0.00000
     63       7.0297     -0.00000
     64       7.3314     -0.00000
     65       8.2603     -0.00000
     66       8.5019     -0.00000
     67       8.8328     -0.00000
     68       9.3273     -0.00000
     69       9.9668     -0.00000
     70      10.1770     -0.00000
     71      10.3275     -0.00000
     72      11.0745     -0.00000
     73      11.7709      0.00000
     74      12.1321      0.00000
     75      12.3073      0.00000
     76      12.9685      0.00000
     77      13.7622      0.00000
     78      13.8225      0.00000
     79      14.0882      0.00000
     80      14.2158      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3674      2.00000
      9      -0.1432      2.00000
     10       0.0784      2.00000
     11       0.1441      2.00000
     12       0.4552      2.00000
     13       0.5626      2.00000
     14       0.6364      2.00000
     15       0.6837      2.00000
     16       0.7310      2.00000
     17       0.8905      2.00000
     18       0.9449      2.00000
     19       1.0630      2.00000
     20       1.1470      2.00000
     21       1.1769      2.00000
     22       1.2132      2.00000
     23       1.3228      2.00000
     24       1.3763      2.00000
     25       1.4675      2.00000
     26       1.5353      2.00000
     27       1.5647      2.00000
     28       1.6342      2.00000
     29       1.7135      2.00000
     30       1.7788      2.00000
     31       1.8431      2.00000
     32       1.9069      2.00000
     33       1.9407      2.00000
     34       2.0850      2.00000
     35       2.1458      2.00000
     36       2.1526      2.00000
     37       2.2495      2.00000
     38       2.2605      2.00000
     39       2.3320      2.00000
     40       2.3727      2.00000
     41       2.4144      2.00000
     42       2.5074      2.00000
     43       2.5580      2.00000
     44       2.5944      2.00000
     45       2.6144      2.00000
     46       2.6862      2.00000
     47       2.7722      2.00000
     48       2.7912      2.00000
     49       2.8756      2.00000
     50       3.0681      2.00000
     51       3.1285      2.00000
     52       3.1837      2.00000
     53       3.3640      2.00000
     54       3.5314      2.00000
     55       3.6246      2.00000
     56       3.8824      2.00000
     57       4.3673      2.00000
     58       4.7210      2.00000
     59       5.0987      2.00000
     60       5.6347      2.02068
     61       5.6911      2.04285
     62       6.1988     -0.02380
     63       6.6441     -0.00009
     64       7.0046     -0.00000
     65       7.4980     -0.00000
     66       7.8684     -0.00000
     67       8.9857     -0.00000
     68       9.6036     -0.00000
     69       9.8833     -0.00000
     70      10.0844     -0.00000
     71      10.4641     -0.00000
     72      10.7308     -0.00000
     73      11.0886     -0.00000
     74      11.6149      0.00000
     75      12.2426      0.00000
     76      12.9477      0.00000
     77      13.1888      0.00000
     78      13.8972      0.00000
     79      13.9187      0.00000
     80      14.0560      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9167      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6143      2.00000
      7     -39.6111      2.00000
      8      -0.4518      2.00000
      9      -0.1488      2.00000
     10      -0.0143      2.00000
     11       0.1286      2.00000
     12       0.5343      2.00000
     13       0.5716      2.00000
     14       0.6440      2.00000
     15       0.7547      2.00000
     16       0.8608      2.00000
     17       0.9495      2.00000
     18       0.9946      2.00000
     19       1.0487      2.00000
     20       1.1047      2.00000
     21       1.1659      2.00000
     22       1.2223      2.00000
     23       1.3139      2.00000
     24       1.3907      2.00000
     25       1.4701      2.00000
     26       1.5022      2.00000
     27       1.5472      2.00000
     28       1.5981      2.00000
     29       1.7115      2.00000
     30       1.7522      2.00000
     31       1.7916      2.00000
     32       1.8939      2.00000
     33       1.9572      2.00000
     34       1.9678      2.00000
     35       2.0536      2.00000
     36       2.1800      2.00000
     37       2.1880      2.00000
     38       2.2854      2.00000
     39       2.3295      2.00000
     40       2.3548      2.00000
     41       2.4738      2.00000
     42       2.4938      2.00000
     43       2.5848      2.00000
     44       2.6140      2.00000
     45       2.6754      2.00000
     46       2.7672      2.00000
     47       2.7981      2.00000
     48       2.8099      2.00000
     49       2.8978      2.00000
     50       3.1200      2.00000
     51       3.1755      2.00000
     52       3.2283      2.00000
     53       3.5140      2.00000
     54       3.5692      2.00000
     55       3.6837      2.00000
     56       3.8796      2.00000
     57       4.4439      2.00000
     58       4.5779      2.00000
     59       4.9754      2.00000
     60       5.4250      2.00023
     61       5.7565      2.06898
     62       5.8155      2.05300
     63       6.7127     -0.00001
     64       6.9898     -0.00000
     65       7.2863     -0.00000
     66       7.5102     -0.00000
     67       9.0180     -0.00000
     68       9.4092     -0.00000
     69      10.1094     -0.00000
     70      10.5154     -0.00000
     71      10.8538     -0.00000
     72      11.2132     -0.00000
     73      11.4014     -0.00000
     74      11.6750      0.00000
     75      12.0182      0.00000
     76      12.6525      0.00000
     77      13.4676      0.00000
     78      13.5546      0.00000
     79      14.0919      0.00000
     80      14.1414      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9199      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6172      2.00000
      7     -39.6080      2.00000
      8      -1.1393      2.00000
      9      -0.5385      2.00000
     10       0.1024      2.00000
     11       0.1248      2.00000
     12       0.5057      2.00000
     13       0.5822      2.00000
     14       0.6507      2.00000
     15       0.6862      2.00000
     16       0.7971      2.00000
     17       0.8197      2.00000
     18       0.8438      2.00000
     19       0.9340      2.00000
     20       1.0931      2.00000
     21       1.1325      2.00000
     22       1.1751      2.00000
     23       1.2035      2.00000
     24       1.3155      2.00000
     25       1.3600      2.00000
     26       1.4019      2.00000
     27       1.4422      2.00000
     28       1.5063      2.00000
     29       1.5667      2.00000
     30       1.6892      2.00000
     31       1.7378      2.00000
     32       1.8748      2.00000
     33       1.9158      2.00000
     34       1.9719      2.00000
     35       2.1164      2.00000
     36       2.1620      2.00000
     37       2.2415      2.00000
     38       2.2837      2.00000
     39       2.3501      2.00000
     40       2.4260      2.00000
     41       2.5168      2.00000
     42       2.5689      2.00000
     43       2.6601      2.00000
     44       2.6933      2.00000
     45       2.7602      2.00000
     46       2.8049      2.00000
     47       2.8506      2.00000
     48       2.9089      2.00000
     49       2.9606      2.00000
     50       3.0761      2.00000
     51       3.1191      2.00000
     52       3.2018      2.00000
     53       3.3417      2.00000
     54       3.5104      2.00000
     55       3.7002      2.00000
     56       4.1183      2.00000
     57       4.6065      2.00000
     58       4.9806      2.00000
     59       5.3595      2.00003
     60       5.6895      2.04210
     61       6.0264      0.93085
     62       6.2165     -0.04839
     63       6.6960     -0.00002
     64       7.1754     -0.00000
     65       7.6159     -0.00000
     66       8.7320     -0.00000
     67       8.9077     -0.00000
     68       9.3512     -0.00000
     69      10.4086     -0.00000
     70      10.6069     -0.00000
     71      11.0109     -0.00000
     72      11.6263      0.00000
     73      12.2231      0.00000
     74      12.4981      0.00000
     75      12.8230      0.00000
     76      13.3553      0.00000
     77      13.5825      0.00000
     78      14.0662      0.00000
     79      14.2324      0.00000
     80      14.4767      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6575      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6058      2.00000
      8      -1.6608      2.00000
      9      -0.8920      2.00000
     10       0.1372      2.00000
     11       0.2588      2.00000
     12       0.3090      2.00000
     13       0.3199      2.00000
     14       0.3965      2.00000
     15       0.6204      2.00000
     16       0.6407      2.00000
     17       0.6640      2.00000
     18       0.7486      2.00000
     19       0.8519      2.00000
     20       0.9321      2.00000
     21       1.0544      2.00000
     22       1.1236      2.00000
     23       1.1775      2.00000
     24       1.2161      2.00000
     25       1.2735      2.00000
     26       1.3766      2.00000
     27       1.3868      2.00000
     28       1.4682      2.00000
     29       1.5902      2.00000
     30       1.6896      2.00000
     31       1.7387      2.00000
     32       1.8439      2.00000
     33       1.8516      2.00000
     34       2.0286      2.00000
     35       2.1538      2.00000
     36       2.1902      2.00000
     37       2.2347      2.00000
     38       2.2623      2.00000
     39       2.3672      2.00000
     40       2.4456      2.00000
     41       2.5143      2.00000
     42       2.6228      2.00000
     43       2.6557      2.00000
     44       2.7749      2.00000
     45       2.8262      2.00000
     46       2.8768      2.00000
     47       2.9502      2.00000
     48       2.9834      2.00000
     49       3.1112      2.00000
     50       3.1836      2.00000
     51       3.2045      2.00000
     52       3.2915      2.00000
     53       3.4741      2.00000
     54       3.7154      2.00000
     55       3.9396      2.00000
     56       3.9633      2.00000
     57       4.1937      2.00000
     58       4.5983      2.00000
     59       5.0544      2.00000
     60       5.6506      2.02602
     61       6.7328     -0.00001
     62       7.3397     -0.00000
     63       7.6579     -0.00000
     64       8.2581     -0.00000
     65       8.4678     -0.00000
     66       8.5717     -0.00000
     67       9.0118     -0.00000
     68       9.2279     -0.00000
     69      11.3285     -0.00000
     70      12.1139      0.00000
     71      12.4165      0.00000
     72      12.6601      0.00000
     73      12.8376      0.00000
     74      13.0995      0.00000
     75      13.2870      0.00000
     76      13.5407      0.00000
     77      13.7042      0.00000
     78      13.7772      0.00000
     79      13.8812      0.00000
     80      14.0602      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6577      2.00000
      5     -39.6571      2.00000
      6     -39.6199      2.00000
      7     -39.6049      2.00000
      8      -1.6624      2.00000
      9      -0.7788      2.00000
     10      -0.6069      2.00000
     11       0.0744      2.00000
     12       0.2603      2.00000
     13       0.3747      2.00000
     14       0.3899      2.00000
     15       0.5478      2.00000
     16       0.6281      2.00000
     17       0.7354      2.00000
     18       0.7379      2.00000
     19       0.8335      2.00000
     20       0.8884      2.00000
     21       0.9195      2.00000
     22       1.0463      2.00000
     23       1.0971      2.00000
     24       1.1313      2.00000
     25       1.2325      2.00000
     26       1.3237      2.00000
     27       1.3511      2.00000
     28       1.4867      2.00000
     29       1.6069      2.00000
     30       1.6151      2.00000
     31       1.7798      2.00000
     32       1.8985      2.00000
     33       1.9059      2.00000
     34       2.0916      2.00000
     35       2.1455      2.00000
     36       2.2263      2.00000
     37       2.3484      2.00000
     38       2.4403      2.00000
     39       2.4610      2.00000
     40       2.4678      2.00000
     41       2.5363      2.00000
     42       2.6146      2.00000
     43       2.6794      2.00000
     44       2.6819      2.00000
     45       2.8133      2.00000
     46       2.8678      2.00000
     47       2.9553      2.00000
     48       2.9766      2.00000
     49       3.1475      2.00000
     50       3.2301      2.00000
     51       3.3154      2.00000
     52       3.3351      2.00000
     53       3.4386      2.00000
     54       3.5313      2.00000
     55       3.7167      2.00000
     56       3.7533      2.00000
     57       3.9899      2.00000
     58       4.1982      2.00000
     59       5.8095      2.05821
     60       7.2623     -0.00000
     61       7.4205     -0.00000
     62       7.4616     -0.00000
     63       7.7483     -0.00000
     64       8.2282     -0.00000
     65       8.7200     -0.00000
     66       9.2630     -0.00000
     67       9.8715     -0.00000
     68      10.4871     -0.00000
     69      10.6543     -0.00000
     70      11.2224     -0.00000
     71      11.2612     -0.00000
     72      11.4302     -0.00000
     73      12.3948      0.00000
     74      12.9820      0.00000
     75      13.1351      0.00000
     76      13.1857      0.00000
     77      13.4108      0.00000
     78      13.8864      0.00000
     79      13.9093      0.00000
     80      14.5883      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3946      2.00000
      9      -0.7718      2.00000
     10      -0.4141      2.00000
     11       0.1140      2.00000
     12       0.1897      2.00000
     13       0.4692      2.00000
     14       0.5362      2.00000
     15       0.6230      2.00000
     16       0.6411      2.00000
     17       0.7426      2.00000
     18       0.7576      2.00000
     19       0.9155      2.00000
     20       0.9553      2.00000
     21       0.9890      2.00000
     22       0.9928      2.00000
     23       1.0996      2.00000
     24       1.1653      2.00000
     25       1.1881      2.00000
     26       1.3324      2.00000
     27       1.3532      2.00000
     28       1.5579      2.00000
     29       1.6132      2.00000
     30       1.7285      2.00000
     31       1.7692      2.00000
     32       1.8233      2.00000
     33       1.9603      2.00000
     34       2.0178      2.00000
     35       2.0492      2.00000
     36       2.1505      2.00000
     37       2.2749      2.00000
     38       2.2795      2.00000
     39       2.3617      2.00000
     40       2.5140      2.00000
     41       2.5524      2.00000
     42       2.6405      2.00000
     43       2.7066      2.00000
     44       2.7387      2.00000
     45       2.7990      2.00000
     46       2.8923      2.00000
     47       2.9196      2.00000
     48       3.0103      2.00000
     49       3.1047      2.00000
     50       3.1572      2.00000
     51       3.2183      2.00000
     52       3.3454      2.00000
     53       3.3686      2.00000
     54       3.5624      2.00000
     55       3.7833      2.00000
     56       3.8401      2.00000
     57       3.9871      2.00000
     58       4.2321      2.00000
     59       6.2105     -0.04119
     60       6.5002     -0.00343
     61       7.3855     -0.00000
     62       7.7757     -0.00000
     63       7.8900     -0.00000
     64       8.3528     -0.00000
     65       8.5461     -0.00000
     66       8.8047     -0.00000
     67       8.8279     -0.00000
     68       9.6365     -0.00000
     69      10.2098     -0.00000
     70      10.6262     -0.00000
     71      10.7658     -0.00000
     72      11.1175     -0.00000
     73      11.9547      0.00000
     74      12.2936      0.00000
     75      12.6477      0.00000
     76      13.1645      0.00000
     77      13.6134      0.00000
     78      13.9298      0.00000
     79      14.2747      0.00000
     80      14.6649      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.9073      2.00000
      9      -0.3845      2.00000
     10      -0.0426      2.00000
     11       0.0600      2.00000
     12       0.4412      2.00000
     13       0.4951      2.00000
     14       0.5956      2.00000
     15       0.6937      2.00000
     16       0.7512      2.00000
     17       0.7570      2.00000
     18       0.8265      2.00000
     19       0.8850      2.00000
     20       1.0015      2.00000
     21       1.0356      2.00000
     22       1.1571      2.00000
     23       1.2341      2.00000
     24       1.2876      2.00000
     25       1.3741      2.00000
     26       1.4165      2.00000
     27       1.4917      2.00000
     28       1.6103      2.00000
     29       1.6536      2.00000
     30       1.7134      2.00000
     31       1.7879      2.00000
     32       1.8386      2.00000
     33       1.9262      2.00000
     34       1.9781      2.00000
     35       2.0274      2.00000
     36       2.0743      2.00000
     37       2.2182      2.00000
     38       2.2522      2.00000
     39       2.2874      2.00000
     40       2.4044      2.00000
     41       2.5535      2.00000
     42       2.6231      2.00000
     43       2.6340      2.00000
     44       2.7062      2.00000
     45       2.7376      2.00000
     46       2.8310      2.00000
     47       2.8629      2.00000
     48       2.9043      2.00000
     49       2.9321      2.00000
     50       3.0325      2.00000
     51       3.1326      2.00000
     52       3.3038      2.00000
     53       3.3374      2.00000
     54       3.4865      2.00000
     55       3.5699      2.00000
     56       3.7478      2.00000
     57       4.4169      2.00000
     58       5.2163      2.00000
     59       5.2878      2.00000
     60       5.9528      1.52241
     61       7.0488     -0.00000
     62       7.1800     -0.00000
     63       7.3380     -0.00000
     64       7.4448     -0.00000
     65       8.1633     -0.00000
     66       8.4030     -0.00000
     67       8.6129     -0.00000
     68       9.0568     -0.00000
     69       9.3302     -0.00000
     70       9.8281     -0.00000
     71      10.7582     -0.00000
     72      10.9615     -0.00000
     73      11.2718     -0.00000
     74      11.5919      0.00000
     75      12.5206      0.00000
     76      13.0805      0.00000
     77      13.4176      0.00000
     78      13.6642      0.00000
     79      13.9128      0.00000
     80      14.1170      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3907      2.00000
      9      -0.0762      2.00000
     10       0.0994      2.00000
     11       0.1580      2.00000
     12       0.4551      2.00000
     13       0.4918      2.00000
     14       0.5496      2.00000
     15       0.6696      2.00000
     16       0.7817      2.00000
     17       0.9094      2.00000
     18       0.9394      2.00000
     19       1.1119      2.00000
     20       1.1659      2.00000
     21       1.2127      2.00000
     22       1.2376      2.00000
     23       1.3288      2.00000
     24       1.4093      2.00000
     25       1.4398      2.00000
     26       1.4845      2.00000
     27       1.5609      2.00000
     28       1.6192      2.00000
     29       1.6589      2.00000
     30       1.7142      2.00000
     31       1.8296      2.00000
     32       1.9113      2.00000
     33       1.9591      2.00000
     34       2.0330      2.00000
     35       2.1050      2.00000
     36       2.1190      2.00000
     37       2.2021      2.00000
     38       2.2957      2.00000
     39       2.3103      2.00000
     40       2.3559      2.00000
     41       2.4666      2.00000
     42       2.5298      2.00000
     43       2.5533      2.00000
     44       2.6240      2.00000
     45       2.6933      2.00000
     46       2.7358      2.00000
     47       2.8145      2.00000
     48       2.8336      2.00000
     49       2.9491      2.00000
     50       3.0696      2.00000
     51       3.1793      2.00000
     52       3.2820      2.00000
     53       3.3367      2.00000
     54       3.4656      2.00000
     55       3.5863      2.00000
     56       3.7884      2.00000
     57       4.0883      2.00000
     58       4.2970      2.00000
     59       5.4667      2.00068
     60       5.8584      1.97976
     61       6.0220      0.96829
     62       6.3358     -0.04724
     63       6.7267     -0.00001
     64       7.1166     -0.00000
     65       7.5999     -0.00000
     66       8.0638     -0.00000
     67       8.3332     -0.00000
     68       8.9257     -0.00000
     69       9.4409     -0.00000
     70      10.2281     -0.00000
     71      10.4110     -0.00000
     72      10.5647     -0.00000
     73      11.3121     -0.00000
     74      11.8218      0.00000
     75      12.1539      0.00000
     76      12.9293      0.00000
     77      13.0130      0.00000
     78      13.6823      0.00000
     79      14.0029      0.00000
     80      14.6428      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6571      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4471      2.00000
      9      -0.1492      2.00000
     10       0.0469      2.00000
     11       0.1312      2.00000
     12       0.4958      2.00000
     13       0.5303      2.00000
     14       0.6300      2.00000
     15       0.7138      2.00000
     16       0.8955      2.00000
     17       0.9197      2.00000
     18       1.0339      2.00000
     19       1.0729      2.00000
     20       1.1358      2.00000
     21       1.1786      2.00000
     22       1.2516      2.00000
     23       1.2945      2.00000
     24       1.3905      2.00000
     25       1.4096      2.00000
     26       1.4581      2.00000
     27       1.5070      2.00000
     28       1.6582      2.00000
     29       1.6940      2.00000
     30       1.7383      2.00000
     31       1.7927      2.00000
     32       1.8715      2.00000
     33       1.9134      2.00000
     34       2.0071      2.00000
     35       2.0784      2.00000
     36       2.1847      2.00000
     37       2.2095      2.00000
     38       2.2840      2.00000
     39       2.3485      2.00000
     40       2.3696      2.00000
     41       2.4509      2.00000
     42       2.5024      2.00000
     43       2.5499      2.00000
     44       2.6518      2.00000
     45       2.6874      2.00000
     46       2.7387      2.00000
     47       2.8127      2.00000
     48       2.8806      2.00000
     49       2.9021      2.00000
     50       3.1078      2.00000
     51       3.1631      2.00000
     52       3.2487      2.00000
     53       3.4729      2.00000
     54       3.5618      2.00000
     55       3.6009      2.00000
     56       3.8959      2.00000
     57       4.3419      2.00000
     58       4.8559      2.00000
     59       5.0026      2.00000
     60       5.2049      2.00000
     61       5.6128      2.01462
     62       5.8111      2.05688
     63       6.7175     -0.00001
     64       7.1818     -0.00000
     65       7.6923     -0.00000
     66       7.8698     -0.00000
     67       8.6993     -0.00000
     68       9.4964     -0.00000
     69       9.9516     -0.00000
     70      10.1302     -0.00000
     71      10.4693     -0.00000
     72      10.5853     -0.00000
     73      11.1468     -0.00000
     74      11.8154      0.00000
     75      12.2270      0.00000
     76      12.7397      0.00000
     77      13.5877      0.00000
     78      14.0589      0.00000
     79      14.3195      0.00000
     80      14.4551      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0804      2.00000
      9      -0.3706      2.00000
     10      -0.1187      2.00000
     11       0.2710      2.00000
     12       0.4359      2.00000
     13       0.5088      2.00000
     14       0.5419      2.00000
     15       0.6791      2.00000
     16       0.7838      2.00000
     17       0.8398      2.00000
     18       0.9178      2.00000
     19       0.9468      2.00000
     20       1.0525      2.00000
     21       1.0810      2.00000
     22       1.1683      2.00000
     23       1.2171      2.00000
     24       1.2653      2.00000
     25       1.3206      2.00000
     26       1.4120      2.00000
     27       1.4529      2.00000
     28       1.5500      2.00000
     29       1.6084      2.00000
     30       1.7707      2.00000
     31       1.8189      2.00000
     32       1.8428      2.00000
     33       1.9644      2.00000
     34       1.9935      2.00000
     35       2.0544      2.00000
     36       2.1037      2.00000
     37       2.1308      2.00000
     38       2.2049      2.00000
     39       2.3290      2.00000
     40       2.4281      2.00000
     41       2.4707      2.00000
     42       2.6045      2.00000
     43       2.6501      2.00000
     44       2.6828      2.00000
     45       2.7864      2.00000
     46       2.8152      2.00000
     47       2.8701      2.00000
     48       2.9202      2.00000
     49       2.9738      2.00000
     50       3.0812      2.00000
     51       3.1278      2.00000
     52       3.2344      2.00000
     53       3.3192      2.00000
     54       3.4474      2.00000
     55       3.6232      2.00000
     56       4.0757      2.00000
     57       4.2786      2.00000
     58       5.1788      2.00000
     59       5.7450      2.06586
     60       5.9257      1.69760
     61       6.1144      0.28106
     62       6.5335     -0.00164
     63       6.7772     -0.00000
     64       7.2663     -0.00000
     65       7.6533     -0.00000
     66       8.3369     -0.00000
     67       9.3881     -0.00000
     68       9.5354     -0.00000
     69       9.9792     -0.00000
     70      10.1665     -0.00000
     71      11.3464     -0.00000
     72      11.4973      0.00000
     73      11.7655      0.00000
     74      11.9539      0.00000
     75      12.2754      0.00000
     76      12.7668      0.00000
     77      13.3481      0.00000
     78      13.6847      0.00000
     79      13.8237      0.00000
     80      14.1993      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.5569      2.00000
      9      -0.5570      2.00000
     10      -0.4678      2.00000
     11       0.2080      2.00000
     12       0.2331      2.00000
     13       0.4698      2.00000
     14       0.5230      2.00000
     15       0.5927      2.00000
     16       0.6296      2.00000
     17       0.6700      2.00000
     18       0.7937      2.00000
     19       0.9005      2.00000
     20       0.9450      2.00000
     21       0.9876      2.00000
     22       1.0096      2.00000
     23       1.1173      2.00000
     24       1.1615      2.00000
     25       1.2163      2.00000
     26       1.3846      2.00000
     27       1.4320      2.00000
     28       1.4857      2.00000
     29       1.5958      2.00000
     30       1.6395      2.00000
     31       1.7250      2.00000
     32       1.8686      2.00000
     33       1.8885      2.00000
     34       2.0138      2.00000
     35       2.1031      2.00000
     36       2.2045      2.00000
     37       2.2691      2.00000
     38       2.3428      2.00000
     39       2.3685      2.00000
     40       2.4378      2.00000
     41       2.5865      2.00000
     42       2.6740      2.00000
     43       2.7040      2.00000
     44       2.7349      2.00000
     45       2.8376      2.00000
     46       2.8630      2.00000
     47       2.8910      2.00000
     48       3.0543      2.00000
     49       3.0883      2.00000
     50       3.1668      2.00000
     51       3.2259      2.00000
     52       3.2311      2.00000
     53       3.5289      2.00000
     54       3.6165      2.00000
     55       3.6522      2.00000
     56       3.8502      2.00000
     57       3.9750      2.00000
     58       4.4793      2.00000
     59       5.6741      2.03532
     60       6.3620     -0.03546
     61       6.7007     -0.00002
     62       7.4998     -0.00000
     63       7.9779     -0.00000
     64       8.6842     -0.00000
     65       8.8777     -0.00000
     66       9.2078     -0.00000
     67       9.3668     -0.00000
     68       9.4689     -0.00000
     69       9.7894     -0.00000
     70      10.5149     -0.00000
     71      11.1801     -0.00000
     72      11.5399      0.00000
     73      12.0619      0.00000
     74      12.2460      0.00000
     75      13.0182      0.00000
     76      13.2477      0.00000
     77      13.2909      0.00000
     78      13.8525      0.00000
     79      14.5922      0.00000
     80      14.6677      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6578      2.00000
      5     -39.6570      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.6137      2.00000
      9      -0.8280      2.00000
     10      -0.5755      2.00000
     11       0.0723      2.00000
     12       0.1487      2.00000
     13       0.3587      2.00000
     14       0.3911      2.00000
     15       0.5464      2.00000
     16       0.6399      2.00000
     17       0.7597      2.00000
     18       0.7858      2.00000
     19       0.8691      2.00000
     20       0.8741      2.00000
     21       0.9182      2.00000
     22       1.0161      2.00000
     23       1.0257      2.00000
     24       1.0736      2.00000
     25       1.2519      2.00000
     26       1.3085      2.00000
     27       1.3768      2.00000
     28       1.4777      2.00000
     29       1.6248      2.00000
     30       1.6703      2.00000
     31       1.7600      2.00000
     32       1.8357      2.00000
     33       1.9545      2.00000
     34       2.0111      2.00000
     35       2.1685      2.00000
     36       2.2021      2.00000
     37       2.3300      2.00000
     38       2.4299      2.00000
     39       2.4612      2.00000
     40       2.4703      2.00000
     41       2.5106      2.00000
     42       2.6264      2.00000
     43       2.6365      2.00000
     44       2.6575      2.00000
     45       2.8271      2.00000
     46       2.8359      2.00000
     47       2.9477      2.00000
     48       2.9498      2.00000
     49       2.9797      2.00000
     50       3.1929      2.00000
     51       3.2554      2.00000
     52       3.4551      2.00000
     53       3.5486      2.00000
     54       3.6553      2.00000
     55       3.9673      2.00000
     56       4.0591      2.00000
     57       4.2109      2.00000
     58       4.5980      2.00000
     59       5.8666      1.95702
     60       6.1145      0.28097
     61       6.6523     -0.00007
     62       7.3645     -0.00000
     63       8.0018     -0.00000
     64       8.2518     -0.00000
     65       8.6410     -0.00000
     66       9.1011     -0.00000
     67       9.1647     -0.00000
     68      10.9017     -0.00000
     69      11.4374     -0.00000
     70      11.6312      0.00000
     71      11.9496      0.00000
     72      12.3443      0.00000
     73      12.6235      0.00000
     74      13.1765      0.00000
     75      13.2054      0.00000
     76      13.3622      0.00000
     77      13.3991      0.00000
     78      13.8269      0.00000
     79      13.8445      0.00000
     80      14.0873      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6577      2.00000
      5     -39.6570      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3577      2.00000
      9      -0.6672      2.00000
     10      -0.5433      2.00000
     11       0.0529      2.00000
     12       0.1860      2.00000
     13       0.4653      2.00000
     14       0.5559      2.00000
     15       0.6209      2.00000
     16       0.6336      2.00000
     17       0.7468      2.00000
     18       0.7894      2.00000
     19       0.9115      2.00000
     20       0.9221      2.00000
     21       0.9482      2.00000
     22       0.9806      2.00000
     23       1.0958      2.00000
     24       1.1220      2.00000
     25       1.1789      2.00000
     26       1.3692      2.00000
     27       1.4312      2.00000
     28       1.5971      2.00000
     29       1.6135      2.00000
     30       1.6781      2.00000
     31       1.7193      2.00000
     32       1.7702      2.00000
     33       1.9362      2.00000
     34       2.0182      2.00000
     35       2.0777      2.00000
     36       2.1888      2.00000
     37       2.2108      2.00000
     38       2.2825      2.00000
     39       2.4556      2.00000
     40       2.4791      2.00000
     41       2.5387      2.00000
     42       2.6404      2.00000
     43       2.6826      2.00000
     44       2.7267      2.00000
     45       2.7487      2.00000
     46       2.8435      2.00000
     47       2.8835      2.00000
     48       2.9841      2.00000
     49       3.0635      2.00000
     50       3.1415      2.00000
     51       3.1656      2.00000
     52       3.3148      2.00000
     53       3.4378      2.00000
     54       3.5193      2.00000
     55       3.7651      2.00000
     56       3.8950      2.00000
     57       5.0189      2.00000
     58       5.1248      2.00000
     59       5.6057      2.01298
     60       6.0423      0.79827
     61       6.8557     -0.00000
     62       7.3537     -0.00000
     63       7.5068     -0.00000
     64       7.7000     -0.00000
     65       8.1131     -0.00000
     66       8.2636     -0.00000
     67       9.9353     -0.00000
     68      10.3756     -0.00000
     69      10.5445     -0.00000
     70      10.9907     -0.00000
     71      11.1559     -0.00000
     72      11.6596      0.00000
     73      12.3291      0.00000
     74      12.4627      0.00000
     75      12.9908      0.00000
     76      13.1696      0.00000
     77      13.6536      0.00000
     78      13.7925      0.00000
     79      14.0939      0.00000
     80      14.3583      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.8993      2.00000
      9      -0.3675      2.00000
     10      -0.0522      2.00000
     11       0.0270      2.00000
     12       0.4684      2.00000
     13       0.4957      2.00000
     14       0.5794      2.00000
     15       0.6975      2.00000
     16       0.7335      2.00000
     17       0.7707      2.00000
     18       0.8287      2.00000
     19       0.8779      2.00000
     20       0.9980      2.00000
     21       1.0246      2.00000
     22       1.1357      2.00000
     23       1.2389      2.00000
     24       1.3365      2.00000
     25       1.3853      2.00000
     26       1.4580      2.00000
     27       1.5139      2.00000
     28       1.5545      2.00000
     29       1.5910      2.00000
     30       1.7496      2.00000
     31       1.8013      2.00000
     32       1.8707      2.00000
     33       1.9122      2.00000
     34       1.9664      2.00000
     35       2.0168      2.00000
     36       2.1308      2.00000
     37       2.1887      2.00000
     38       2.2277      2.00000
     39       2.2560      2.00000
     40       2.3269      2.00000
     41       2.5575      2.00000
     42       2.6101      2.00000
     43       2.6551      2.00000
     44       2.7220      2.00000
     45       2.7324      2.00000
     46       2.8465      2.00000
     47       2.8702      2.00000
     48       2.9115      2.00000
     49       2.9629      2.00000
     50       3.0462      2.00000
     51       3.1353      2.00000
     52       3.2743      2.00000
     53       3.3473      2.00000
     54       3.4143      2.00000
     55       3.5012      2.00000
     56       3.7124      2.00000
     57       4.6991      2.00000
     58       5.3850      2.00007
     59       5.6318      2.01979
     60       5.8380      2.02330
     61       6.6900     -0.00002
     62       6.9397     -0.00000
     63       7.1016     -0.00000
     64       7.2382     -0.00000
     65       8.4995     -0.00000
     66       8.5788     -0.00000
     67       8.6997     -0.00000
     68       8.9034     -0.00000
     69       9.2469     -0.00000
     70       9.6729     -0.00000
     71      10.8864     -0.00000
     72      11.0777     -0.00000
     73      11.2575     -0.00000
     74      11.7821      0.00000
     75      12.7502      0.00000
     76      13.0061      0.00000
     77      13.5280      0.00000
     78      13.7534      0.00000
     79      14.0050      0.00000
     80      14.3953      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3678      2.00000
      9      -0.1220      2.00000
     10       0.0976      2.00000
     11       0.1729      2.00000
     12       0.4629      2.00000
     13       0.5292      2.00000
     14       0.5887      2.00000
     15       0.6350      2.00000
     16       0.7429      2.00000
     17       0.9014      2.00000
     18       0.9483      2.00000
     19       1.0630      2.00000
     20       1.1520      2.00000
     21       1.1917      2.00000
     22       1.2399      2.00000
     23       1.3158      2.00000
     24       1.3935      2.00000
     25       1.4817      2.00000
     26       1.5134      2.00000
     27       1.5399      2.00000
     28       1.6219      2.00000
     29       1.7165      2.00000
     30       1.7372      2.00000
     31       1.8357      2.00000
     32       1.9064      2.00000
     33       1.9716      2.00000
     34       2.0413      2.00000
     35       2.1080      2.00000
     36       2.1742      2.00000
     37       2.2558      2.00000
     38       2.3045      2.00000
     39       2.3181      2.00000
     40       2.3805      2.00000
     41       2.4277      2.00000
     42       2.5149      2.00000
     43       2.5614      2.00000
     44       2.5826      2.00000
     45       2.6352      2.00000
     46       2.7010      2.00000
     47       2.7564      2.00000
     48       2.8066      2.00000
     49       2.9552      2.00000
     50       3.0440      2.00000
     51       3.1388      2.00000
     52       3.1805      2.00000
     53       3.3307      2.00000
     54       3.5331      2.00000
     55       3.5973      2.00000
     56       3.9548      2.00000
     57       4.1919      2.00000
     58       4.4131      2.00000
     59       5.2765      2.00000
     60       5.8326      2.03199
     61       5.9548      1.50844
     62       6.2607     -0.07087
     63       6.4648     -0.00702
     64       6.9962     -0.00000
     65       7.8609     -0.00000
     66       8.0241     -0.00000
     67       8.8250     -0.00000
     68       9.1404     -0.00000
     69       9.7229     -0.00000
     70       9.8616     -0.00000
     71      10.3688     -0.00000
     72      10.5735     -0.00000
     73      10.9556     -0.00000
     74      11.8506      0.00000
     75      12.4446      0.00000
     76      12.6142      0.00000
     77      13.3367      0.00000
     78      13.7152      0.00000
     79      14.3616      0.00000
     80      14.4506      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6572      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4395      2.00000
      9      -0.1383      2.00000
     10      -0.0186      2.00000
     11       0.1297      2.00000
     12       0.5454      2.00000
     13       0.5900      2.00000
     14       0.6430      2.00000
     15       0.7780      2.00000
     16       0.8030      2.00000
     17       0.9226      2.00000
     18       0.9641      2.00000
     19       1.0461      2.00000
     20       1.1084      2.00000
     21       1.1504      2.00000
     22       1.2402      2.00000
     23       1.3371      2.00000
     24       1.3858      2.00000
     25       1.4084      2.00000
     26       1.4883      2.00000
     27       1.5914      2.00000
     28       1.6672      2.00000
     29       1.7210      2.00000
     30       1.7656      2.00000
     31       1.8194      2.00000
     32       1.8845      2.00000
     33       1.8976      2.00000
     34       2.0026      2.00000
     35       2.1225      2.00000
     36       2.1798      2.00000
     37       2.2188      2.00000
     38       2.2419      2.00000
     39       2.3047      2.00000
     40       2.3963      2.00000
     41       2.4539      2.00000
     42       2.4882      2.00000
     43       2.5538      2.00000
     44       2.6181      2.00000
     45       2.6424      2.00000
     46       2.7276      2.00000
     47       2.7703      2.00000
     48       2.8208      2.00000
     49       2.8756      2.00000
     50       3.1333      2.00000
     51       3.1424      2.00000
     52       3.3422      2.00000
     53       3.4707      2.00000
     54       3.5743      2.00000
     55       3.6068      2.00000
     56       3.7772      2.00000
     57       4.3624      2.00000
     58       4.5602      2.00000
     59       5.1208      2.00000
     60       5.6206      2.01661
     61       5.7598      2.06965
     62       6.3984     -0.02174
     63       6.4957     -0.00378
     64       6.8319     -0.00000
     65       6.9986     -0.00000
     66       7.3763     -0.00000
     67       9.1015     -0.00000
     68       9.3512     -0.00000
     69      10.2455     -0.00000
     70      10.5522     -0.00000
     71      10.9141     -0.00000
     72      11.4042     -0.00000
     73      11.5622      0.00000
     74      11.8287      0.00000
     75      12.1731      0.00000
     76      12.6587      0.00000
     77      12.9265      0.00000
     78      13.1011      0.00000
     79      13.9037      0.00000
     80      14.2219      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.1086      2.00000
      9      -0.3088      2.00000
     10      -0.1729      2.00000
     11       0.2340      2.00000
     12       0.4803      2.00000
     13       0.5438      2.00000
     14       0.5746      2.00000
     15       0.6533      2.00000
     16       0.7710      2.00000
     17       0.8563      2.00000
     18       0.9282      2.00000
     19       1.0167      2.00000
     20       1.0903      2.00000
     21       1.1192      2.00000
     22       1.1670      2.00000
     23       1.1900      2.00000
     24       1.2227      2.00000
     25       1.2514      2.00000
     26       1.3548      2.00000
     27       1.4823      2.00000
     28       1.5499      2.00000
     29       1.6378      2.00000
     30       1.6850      2.00000
     31       1.7924      2.00000
     32       1.8386      2.00000
     33       1.9671      2.00000
     34       2.0374      2.00000
     35       2.1000      2.00000
     36       2.1616      2.00000
     37       2.2174      2.00000
     38       2.2442      2.00000
     39       2.3004      2.00000
     40       2.3364      2.00000
     41       2.5249      2.00000
     42       2.6196      2.00000
     43       2.6433      2.00000
     44       2.7200      2.00000
     45       2.7342      2.00000
     46       2.7784      2.00000
     47       2.8162      2.00000
     48       2.9374      2.00000
     49       2.9957      2.00000
     50       3.0623      2.00000
     51       3.1373      2.00000
     52       3.2018      2.00000
     53       3.4249      2.00000
     54       3.4635      2.00000
     55       3.5670      2.00000
     56       3.7172      2.00000
     57       4.5297      2.00000
     58       4.7873      2.00000
     59       5.4088      2.00014
     60       5.9587      1.48016
     61       6.4747     -0.00579
     62       6.8101     -0.00000
     63       7.0833     -0.00000
     64       7.3901     -0.00000
     65       8.0565     -0.00000
     66       8.6666     -0.00000
     67       8.7596     -0.00000
     68       9.3238     -0.00000
     69       9.8325     -0.00000
     70       9.9168     -0.00000
     71      10.6629     -0.00000
     72      11.1681     -0.00000
     73      11.8732      0.00000
     74      12.1859      0.00000
     75      12.6609      0.00000
     76      13.2254      0.00000
     77      13.9570      0.00000
     78      14.0323      0.00000
     79      14.3590      0.00000
     80      14.4066      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7812      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.5493      2.00000
      9      -0.6255      2.00000
     10      -0.3868      2.00000
     11       0.1882      2.00000
     12       0.2308      2.00000
     13       0.4345      2.00000
     14       0.5226      2.00000
     15       0.5834      2.00000
     16       0.6301      2.00000
     17       0.6901      2.00000
     18       0.8052      2.00000
     19       0.9131      2.00000
     20       0.9423      2.00000
     21       0.9818      2.00000
     22       1.0451      2.00000
     23       1.1298      2.00000
     24       1.1585      2.00000
     25       1.2489      2.00000
     26       1.2697      2.00000
     27       1.3829      2.00000
     28       1.5903      2.00000
     29       1.6420      2.00000
     30       1.7047      2.00000
     31       1.7567      2.00000
     32       1.8186      2.00000
     33       1.8688      2.00000
     34       1.9901      2.00000
     35       2.0334      2.00000
     36       2.1214      2.00000
     37       2.3078      2.00000
     38       2.3430      2.00000
     39       2.4427      2.00000
     40       2.5141      2.00000
     41       2.5270      2.00000
     42       2.6070      2.00000
     43       2.6718      2.00000
     44       2.6977      2.00000
     45       2.7915      2.00000
     46       2.8433      2.00000
     47       2.9014      2.00000
     48       3.0486      2.00000
     49       3.0912      2.00000
     50       3.2082      2.00000
     51       3.2277      2.00000
     52       3.2954      2.00000
     53       3.4005      2.00000
     54       3.5874      2.00000
     55       3.7969      2.00000
     56       3.8142      2.00000
     57       3.9742      2.00000
     58       4.7533      2.00000
     59       5.6563      2.02813
     60       6.5582     -0.00091
     61       6.8516     -0.00000
     62       7.4448     -0.00000
     63       7.8248     -0.00000
     64       7.8731     -0.00000
     65       8.4178     -0.00000
     66       9.0455     -0.00000
     67       9.2214     -0.00000
     68       9.9804     -0.00000
     69      10.4665     -0.00000
     70      10.7233     -0.00000
     71      11.1366     -0.00000
     72      11.4761     -0.00000
     73      12.1391      0.00000
     74      12.6588      0.00000
     75      12.9925      0.00000
     76      13.3555      0.00000
     77      13.5016      0.00000
     78      13.8974      0.00000
     79      14.3207      0.00000
     80      14.5431      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9213      2.00000
      2     -39.9142      2.00000
      3     -39.7813      2.00000
      4     -39.6578      2.00000
      5     -39.6570      2.00000
      6     -39.6199      2.00000
      7     -39.6050      2.00000
      8      -1.6075      2.00000
      9      -0.7835      2.00000
     10      -0.6607      2.00000
     11       0.0663      2.00000
     12       0.1905      2.00000
     13       0.3549      2.00000
     14       0.3889      2.00000
     15       0.5643      2.00000
     16       0.6126      2.00000
     17       0.7229      2.00000
     18       0.7831      2.00000
     19       0.8461      2.00000
     20       0.9069      2.00000
     21       0.9239      2.00000
     22       1.0655      2.00000
     23       1.1095      2.00000
     24       1.1487      2.00000
     25       1.2454      2.00000
     26       1.2596      2.00000
     27       1.2701      2.00000
     28       1.4670      2.00000
     29       1.6052      2.00000
     30       1.6201      2.00000
     31       1.7499      2.00000
     32       1.7863      2.00000
     33       1.9112      2.00000
     34       2.1265      2.00000
     35       2.1544      2.00000
     36       2.3459      2.00000
     37       2.3531      2.00000
     38       2.3923      2.00000
     39       2.4404      2.00000
     40       2.4668      2.00000
     41       2.5357      2.00000
     42       2.6309      2.00000
     43       2.6677      2.00000
     44       2.7282      2.00000
     45       2.7985      2.00000
     46       2.8441      2.00000
     47       2.8967      2.00000
     48       2.9359      2.00000
     49       3.0387      2.00000
     50       3.1795      2.00000
     51       3.2288      2.00000
     52       3.3931      2.00000
     53       3.5888      2.00000
     54       3.6433      2.00000
     55       3.9596      2.00000
     56       4.0579      2.00000
     57       4.2298      2.00000
     58       4.4522      2.00000
     59       5.6741      2.03530
     60       6.2364     -0.06431
     61       6.6913     -0.00002
     62       7.5131     -0.00000
     63       7.8839     -0.00000
     64       8.1453     -0.00000
     65       8.8040     -0.00000
     66       9.3773     -0.00000
     67       9.5744     -0.00000
     68      10.7267     -0.00000
     69      10.8973     -0.00000
     70      11.4751     -0.00000
     71      11.9816      0.00000
     72      12.0729      0.00000
     73      12.5103      0.00000
     74      12.8937      0.00000
     75      13.0055      0.00000
     76      13.2840      0.00000
     77      13.4377      0.00000
     78      13.8968      0.00000
     79      14.0569      0.00000
     80      14.3383      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6571      2.00000
      6     -39.6193      2.00000
      7     -39.6057      2.00000
      8      -1.3896      2.00000
      9      -0.7316      2.00000
     10      -0.4749      2.00000
     11       0.1179      2.00000
     12       0.1860      2.00000
     13       0.4773      2.00000
     14       0.5476      2.00000
     15       0.6286      2.00000
     16       0.6343      2.00000
     17       0.7468      2.00000
     18       0.7679      2.00000
     19       0.9284      2.00000
     20       0.9323      2.00000
     21       0.9510      2.00000
     22       0.9796      2.00000
     23       1.1175      2.00000
     24       1.1603      2.00000
     25       1.1830      2.00000
     26       1.3683      2.00000
     27       1.3817      2.00000
     28       1.5162      2.00000
     29       1.6156      2.00000
     30       1.6312      2.00000
     31       1.7914      2.00000
     32       1.8430      2.00000
     33       1.9616      2.00000
     34       1.9886      2.00000
     35       2.1656      2.00000
     36       2.1991      2.00000
     37       2.2206      2.00000
     38       2.2574      2.00000
     39       2.3095      2.00000
     40       2.5345      2.00000
     41       2.5759      2.00000
     42       2.6209      2.00000
     43       2.6949      2.00000
     44       2.7405      2.00000
     45       2.8143      2.00000
     46       2.8964      2.00000
     47       2.9553      2.00000
     48       3.0015      2.00000
     49       3.1138      2.00000
     50       3.1568      2.00000
     51       3.1969      2.00000
     52       3.3095      2.00000
     53       3.3985      2.00000
     54       3.5578      2.00000
     55       3.7450      2.00000
     56       3.8993      2.00000
     57       4.0354      2.00000
     58       4.2855      2.00000
     59       6.2381     -0.06521
     60       6.6572     -0.00006
     61       7.1101     -0.00000
     62       7.3072     -0.00000
     63       8.0038     -0.00000
     64       8.2265     -0.00000
     65       8.3896     -0.00000
     66       8.7905     -0.00000
     67       9.5495     -0.00000
     68       9.8182     -0.00000
     69      10.1305     -0.00000
     70      10.3422     -0.00000
     71      10.8590     -0.00000
     72      11.3406     -0.00000
     73      12.0565      0.00000
     74      12.2017      0.00000
     75      12.6279      0.00000
     76      13.1378      0.00000
     77      13.5498      0.00000
     78      13.7450      0.00000
     79      14.3164      0.00000
     80      14.6239      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6571      2.00000
      6     -39.6174      2.00000
      7     -39.6079      2.00000
      8      -0.9138      2.00000
      9      -0.4525      2.00000
     10       0.0426      2.00000
     11       0.0925      2.00000
     12       0.3951      2.00000
     13       0.4964      2.00000
     14       0.6462      2.00000
     15       0.6696      2.00000
     16       0.7353      2.00000
     17       0.7782      2.00000
     18       0.8182      2.00000
     19       0.9024      2.00000
     20       1.0199      2.00000
     21       1.0441      2.00000
     22       1.1249      2.00000
     23       1.2299      2.00000
     24       1.2716      2.00000
     25       1.2943      2.00000
     26       1.3780      2.00000
     27       1.4629      2.00000
     28       1.6703      2.00000
     29       1.6960      2.00000
     30       1.7853      2.00000
     31       1.8233      2.00000
     32       1.8537      2.00000
     33       1.9109      2.00000
     34       1.9719      2.00000
     35       1.9962      2.00000
     36       2.0277      2.00000
     37       2.2392      2.00000
     38       2.2917      2.00000
     39       2.3505      2.00000
     40       2.4827      2.00000
     41       2.5179      2.00000
     42       2.5667      2.00000
     43       2.6864      2.00000
     44       2.7090      2.00000
     45       2.7400      2.00000
     46       2.7626      2.00000
     47       2.8528      2.00000
     48       2.8779      2.00000
     49       2.9126      2.00000
     50       3.0718      2.00000
     51       3.1640      2.00000
     52       3.3297      2.00000
     53       3.3444      2.00000
     54       3.5830      2.00000
     55       3.7518      2.00000
     56       3.8213      2.00000
     57       4.0256      2.00000
     58       4.6287      2.00000
     59       4.8197      2.00000
     60       6.5709     -0.00066
     61       7.0555     -0.00000
     62       7.5075     -0.00000
     63       7.6232     -0.00000
     64       7.8411     -0.00000
     65       8.0273     -0.00000
     66       8.6751     -0.00000
     67       8.9036     -0.00000
     68       9.1889     -0.00000
     69       9.5754     -0.00000
     70       9.6020     -0.00000
     71       9.7952     -0.00000
     72      10.0845     -0.00000
     73      11.4907      0.00000
     74      11.8018      0.00000
     75      11.8826      0.00000
     76      12.9976      0.00000
     77      13.3778      0.00000
     78      13.9788      0.00000
     79      14.2238      0.00000
     80      14.5697      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9183      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6110      2.00000
      8      -0.3639      2.00000
      9      -0.1215      2.00000
     10       0.1013      2.00000
     11       0.1530      2.00000
     12       0.4178      2.00000
     13       0.5343      2.00000
     14       0.6092      2.00000
     15       0.6882      2.00000
     16       0.7674      2.00000
     17       0.8925      2.00000
     18       0.9351      2.00000
     19       1.0651      2.00000
     20       1.1181      2.00000
     21       1.1813      2.00000
     22       1.2111      2.00000
     23       1.3429      2.00000
     24       1.3902      2.00000
     25       1.4450      2.00000
     26       1.5078      2.00000
     27       1.6557      2.00000
     28       1.6984      2.00000
     29       1.7168      2.00000
     30       1.7365      2.00000
     31       1.8321      2.00000
     32       1.8728      2.00000
     33       1.9327      2.00000
     34       2.0068      2.00000
     35       2.1216      2.00000
     36       2.1607      2.00000
     37       2.2520      2.00000
     38       2.2773      2.00000
     39       2.3455      2.00000
     40       2.3933      2.00000
     41       2.4343      2.00000
     42       2.5250      2.00000
     43       2.5676      2.00000
     44       2.5941      2.00000
     45       2.6412      2.00000
     46       2.6762      2.00000
     47       2.7285      2.00000
     48       2.7901      2.00000
     49       2.8744      2.00000
     50       3.0728      2.00000
     51       3.1248      2.00000
     52       3.1775      2.00000
     53       3.2227      2.00000
     54       3.4873      2.00000
     55       3.5965      2.00000
     56       3.9561      2.00000
     57       4.6221      2.00000
     58       4.7015      2.00000
     59       5.1194      2.00000
     60       5.6463      2.02449
     61       5.7781      2.07073
     62       6.0841      0.47462
     63       6.3800     -0.02820
     64       6.9277     -0.00000
     65       7.6557     -0.00000
     66       8.4515     -0.00000
     67       8.9993     -0.00000
     68       9.3539     -0.00000
     69       9.4784     -0.00000
     70       9.8125     -0.00000
     71      10.6703     -0.00000
     72      11.0179     -0.00000
     73      11.3678     -0.00000
     74      11.7079      0.00000
     75      12.0723      0.00000
     76      12.4060      0.00000
     77      12.7624      0.00000
     78      13.6211      0.00000
     79      13.9580      0.00000
     80      14.1673      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9184      2.00000
      2     -39.9168      2.00000
      3     -39.7806      2.00000
      4     -39.6571      2.00000
      5     -39.6570      2.00000
      6     -39.6144      2.00000
      7     -39.6111      2.00000
      8      -0.4282      2.00000
      9      -0.1864      2.00000
     10       0.0361      2.00000
     11       0.1374      2.00000
     12       0.5263      2.00000
     13       0.5865      2.00000
     14       0.6771      2.00000
     15       0.7347      2.00000
     16       0.7953      2.00000
     17       0.8749      2.00000
     18       0.9519      2.00000
     19       1.0899      2.00000
     20       1.1072      2.00000
     21       1.1944      2.00000
     22       1.2705      2.00000
     23       1.2944      2.00000
     24       1.3637      2.00000
     25       1.4109      2.00000
     26       1.4649      2.00000
     27       1.5517      2.00000
     28       1.6667      2.00000
     29       1.7395      2.00000
     30       1.7716      2.00000
     31       1.8312      2.00000
     32       1.8451      2.00000
     33       1.9568      2.00000
     34       2.0591      2.00000
     35       2.0927      2.00000
     36       2.1319      2.00000
     37       2.2396      2.00000
     38       2.2776      2.00000
     39       2.2861      2.00000
     40       2.4359      2.00000
     41       2.4723      2.00000
     42       2.4787      2.00000
     43       2.5519      2.00000
     44       2.6198      2.00000
     45       2.6484      2.00000
     46       2.6996      2.00000
     47       2.7923      2.00000
     48       2.7999      2.00000
     49       2.8793      2.00000
     50       3.0885      2.00000
     51       3.1662      2.00000
     52       3.2484      2.00000
     53       3.4804      2.00000
     54       3.5613      2.00000
     55       3.6511      2.00000
     56       4.0624      2.00000
     57       4.5108      2.00000
     58       4.5619      2.00000
     59       4.8248      2.00000
     60       5.1649      2.00000
     61       5.6568      2.02831
     62       6.1384      0.15912
     63       6.3999     -0.02127
     64       7.5655     -0.00000
     65       7.7339     -0.00000
     66       8.0220     -0.00000
     67       8.4232     -0.00000
     68       8.9550     -0.00000
     69       9.6228     -0.00000
     70      10.2576     -0.00000
     71      10.3928     -0.00000
     72      11.2653     -0.00000
     73      11.6931      0.00000
     74      12.2917      0.00000
     75      12.4653      0.00000
     76      12.6284      0.00000
     77      13.3591      0.00000
     78      13.6115      0.00000
     79      14.1681      0.00000
     80      14.3036      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9198      2.00000
      2     -39.9154      2.00000
      3     -39.7808      2.00000
      4     -39.6573      2.00000
      5     -39.6570      2.00000
      6     -39.6173      2.00000
      7     -39.6079      2.00000
      8      -1.0487      2.00000
      9      -0.4638      2.00000
     10      -0.0835      2.00000
     11       0.3264      2.00000
     12       0.4398      2.00000
     13       0.5129      2.00000
     14       0.5648      2.00000
     15       0.6426      2.00000
     16       0.7467      2.00000
     17       0.8186      2.00000
     18       0.9180      2.00000
     19       0.9896      2.00000
     20       1.0222      2.00000
     21       1.0959      2.00000
     22       1.1806      2.00000
     23       1.2095      2.00000
     24       1.3101      2.00000
     25       1.3356      2.00000
     26       1.3570      2.00000
     27       1.4375      2.00000
     28       1.5029      2.00000
     29       1.6023      2.00000
     30       1.7652      2.00000
     31       1.8395      2.00000
     32       1.8605      2.00000
     33       1.9287      2.00000
     34       1.9881      2.00000
     35       2.0407      2.00000
     36       2.1198      2.00000
     37       2.1933      2.00000
     38       2.2604      2.00000
     39       2.3274      2.00000
     40       2.4504      2.00000
     41       2.4908      2.00000
     42       2.5088      2.00000
     43       2.6495      2.00000
     44       2.6812      2.00000
     45       2.7585      2.00000
     46       2.8015      2.00000
     47       2.8493      2.00000
     48       2.9233      2.00000
     49       3.0204      2.00000
     50       3.0805      2.00000
     51       3.1474      2.00000
     52       3.2156      2.00000
     53       3.3216      2.00000
     54       3.4860      2.00000
     55       3.6506      2.00000
     56       3.8496      2.00000
     57       4.7539      2.00000
     58       5.2114      2.00000
     59       5.3412      2.00002
     60       5.5966      2.01109
     61       6.3418     -0.04447
     62       6.5417     -0.00135
     63       7.2845     -0.00000
     64       7.3926     -0.00000
     65       7.6594     -0.00000
     66       8.0556     -0.00000
     67       8.8458     -0.00000
     68       9.6459     -0.00000
     69       9.9760     -0.00000
     70      10.4949     -0.00000
     71      10.6825     -0.00000
     72      11.0112     -0.00000
     73      11.2998     -0.00000
     74      12.4692      0.00000
     75      13.0286      0.00000
     76      13.2948      0.00000
     77      13.5940      0.00000
     78      14.1208      0.00000
     79      14.2249      0.00000
     80      14.8642      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9209      2.00000
      2     -39.9145      2.00000
      3     -39.7811      2.00000
      4     -39.6576      2.00000
      5     -39.6570      2.00000
      6     -39.6192      2.00000
      7     -39.6057      2.00000
      8      -1.4876      2.00000
      9      -0.7357      2.00000
     10      -0.3631      2.00000
     11       0.1608      2.00000
     12       0.2177      2.00000
     13       0.4618      2.00000
     14       0.5301      2.00000
     15       0.6045      2.00000
     16       0.6306      2.00000
     17       0.6632      2.00000
     18       0.8209      2.00000
     19       0.8778      2.00000
     20       0.9360      2.00000
     21       0.9724      2.00000
     22       0.9946      2.00000
     23       1.1438      2.00000
     24       1.1786      2.00000
     25       1.2449      2.00000
     26       1.3192      2.00000
     27       1.4366      2.00000
     28       1.5449      2.00000
     29       1.5932      2.00000
     30       1.6140      2.00000
     31       1.6886      2.00000
     32       1.8926      2.00000
     33       1.9651      2.00000
     34       2.0157      2.00000
     35       2.0911      2.00000
     36       2.1930      2.00000
     37       2.2559      2.00000
     38       2.3346      2.00000
     39       2.3555      2.00000
     40       2.4523      2.00000
     41       2.4719      2.00000
     42       2.6324      2.00000
     43       2.6730      2.00000
     44       2.7517      2.00000
     45       2.7771      2.00000
     46       2.8256      2.00000
     47       2.9630      2.00000
     48       2.9826      2.00000
     49       3.1160      2.00000
     50       3.1537      2.00000
     51       3.1954      2.00000
     52       3.3031      2.00000
     53       3.3790      2.00000
     54       3.6121      2.00000
     55       3.7812      2.00000
     56       3.8282      2.00000
     57       4.6154      2.00000
     58       5.1252      2.00000
     59       5.6733      2.03498
     60       6.1395      0.15452
     61       6.4412     -0.01085
     62       6.9206     -0.00000
     63       7.2593     -0.00000
     64       7.9418     -0.00000
     65       8.8892     -0.00000
     66       8.9877     -0.00000
     67       9.2156     -0.00000
     68       9.9801     -0.00000
     69      10.0447     -0.00000
     70      11.7040      0.00000
     71      11.9022      0.00000
     72      12.1186      0.00000
     73      12.2378      0.00000
     74      12.4568      0.00000
     75      12.8906      0.00000
     76      13.2981      0.00000
     77      13.5645      0.00000
     78      13.8128      0.00000
     79      13.9563      0.00000
     80      14.4561      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.167  -0.000  -0.000  -0.003  -0.000  -5.377  -0.000  -0.000
 -0.000  -5.165  -0.003   0.001  -0.001  -0.000  -5.375  -0.003
 -0.000  -0.003  -5.168  -0.001  -0.007  -0.000  -0.003  -5.378
 -0.003   0.001  -0.001  -5.173   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.007   0.001  -5.154  -0.000  -0.001  -0.006
 -5.377  -0.000  -0.000  -0.003  -0.000  -5.570  -0.000  -0.000
 -0.000  -5.375  -0.003   0.001  -0.001  -0.000  -5.568  -0.003
 -0.000  -0.003  -5.378  -0.001  -0.006  -0.000  -0.003  -5.571
 -0.003   0.001  -0.001  -5.383   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.365  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.001  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001   0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.023   0.010   0.030   0.009   0.006  -1.169  -0.014  -0.025  -0.039  -0.014   0.018  -0.005  -0.012   0.007   0.356  -0.000
  0.010   3.076  -0.272   0.019  -0.176  -0.014  -1.060   0.226  -0.010   0.140  -0.065   0.011   0.000   0.172   0.008   0.000
  0.030  -0.272   2.659   0.008  -0.319  -0.025   0.226  -0.701  -0.018   0.234   0.083  -0.035  -0.112  -0.021  -0.004   0.006
  0.009   0.019   0.008   2.946   0.016  -0.039  -0.010  -0.018  -1.110  -0.007  -0.020   0.004   0.010   0.004  -0.022  -0.000
  0.006  -0.176  -0.319   0.016   3.076  -0.014   0.140   0.234  -0.007  -1.015  -0.143   0.068   0.045  -0.010   0.020   0.008
 -1.169  -0.014  -0.025  -0.039  -0.014   1.222   0.017   0.021   0.064   0.019  -0.016   0.005   0.012  -0.006  -0.289  -0.000
 -0.014  -1.060   0.226  -0.010   0.140   0.017   0.979  -0.182   0.003  -0.105   0.059  -0.013  -0.008  -0.138  -0.007   0.000
 -0.025   0.226  -0.701  -0.018   0.234   0.021  -0.182   0.679   0.026  -0.162  -0.091   0.046   0.084   0.025   0.002  -0.002
 -0.039  -0.010  -0.018  -1.110  -0.007   0.064   0.003   0.026   1.171   0.001   0.019  -0.006  -0.009  -0.002   0.014   0.000
 -0.014   0.140   0.234  -0.007  -1.015   0.019  -0.105  -0.162   0.001   0.907   0.133  -0.074  -0.048   0.010  -0.016  -0.000
  0.018  -0.065   0.083  -0.020  -0.143  -0.016   0.059  -0.091   0.019   0.133   2.091  -0.311  -0.041   0.003   0.001   0.002
 -0.005   0.011  -0.035   0.004   0.068   0.005  -0.013   0.046  -0.006  -0.074  -0.311   0.126   0.060  -0.004   0.002  -0.002
 -0.012   0.000  -0.112   0.010   0.045   0.012  -0.008   0.084  -0.009  -0.048  -0.041   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.172  -0.021   0.004  -0.010  -0.006  -0.138   0.025  -0.002   0.010   0.003  -0.004   0.007   0.127   0.002  -0.000
  0.356   0.008  -0.004  -0.022   0.020  -0.289  -0.007   0.002   0.014  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.70: real time    1.70
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.65: real time    6.67
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.09657   469.09657   469.09657
  Ewald   -2469.87921 -3175.42639 -2709.25929   -21.90711   -24.30040    11.78596
  Hartree   849.43869   343.98757   678.89466   -14.67637    -2.96923     7.51941
  E(xc)    -540.90299  -541.58463  -541.06003    -0.02530    -0.13577     0.01463
  Local    -597.19526   611.55245  -187.59731    36.12611    26.06623   -18.86891
  n-local  -102.88271   -99.61332  -101.59324     0.29103     0.73412    -0.26495
  augment   723.83960   723.28772   723.39436     0.02424     0.11792    -0.04098
  Kinetic  1668.45623  1668.72477  1668.08513     0.16240     0.48184    -0.15221
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.02907     0.02472    -0.03915    -0.00500    -0.00528    -0.00704
  in kB      -0.18086     0.15380    -0.24355    -0.03112    -0.03285    -0.04382
  external pressure =       -0.09 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.53
      direct lattice vectors                 reciprocal lattice vectors
     4.099403963 -0.101311845  0.142440241     0.243622887  0.100314241  0.080415436
    -3.909604630  8.753944479  0.924248823     0.002759483  0.115200572  0.002519971
    -2.320650165 -0.100957026  7.156473303    -0.005205378 -0.016874621  0.137807616

  length of vectors
     4.103128826  9.631759350  7.524009546     0.275466332  0.115261168  0.138934473


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.368E+01 -.159E+03 0.251E+02   0.384E+01 0.162E+03 -.254E+02   -.163E+00 -.282E+01 0.274E+00   -.424E-03 -.109E-02 -.114E-02
   0.367E+01 0.159E+03 -.251E+02   -.384E+01 -.162E+03 0.254E+02   0.164E+00 0.282E+01 -.274E+00   0.427E-03 0.108E-02 0.114E-02
   0.320E+01 0.146E+03 0.683E+01   -.329E+01 -.148E+03 -.665E+01   0.933E-01 0.127E+01 -.188E+00   -.204E-03 -.442E-03 0.201E-02
   -.814E-01 -.698E+02 -.425E+02   0.846E-01 0.695E+02 0.434E+02   -.367E-02 0.318E+00 -.856E+00   0.568E-04 -.607E-03 -.186E-02
   0.632E+01 0.977E+02 -.963E+02   -.638E+01 -.990E+02 0.977E+02   0.597E-01 0.127E+01 -.141E+01   0.218E-03 -.219E-04 0.579E-03
   -.281E-01 0.876E-02 0.530E-02   0.280E-01 -.858E-02 -.546E-02   0.606E-03 -.447E-03 0.301E-03   -.939E-04 0.145E-04 -.230E-04
   -.630E+01 -.977E+02 0.963E+02   0.636E+01 0.990E+02 -.977E+02   -.597E-01 -.127E+01 0.141E+01   -.134E-03 -.298E-04 -.514E-03
   -.317E+01 -.146E+03 -.685E+01   0.327E+01 0.148E+03 0.666E+01   -.941E-01 -.127E+01 0.188E+00   0.292E-03 0.366E-03 -.202E-02
   0.821E-01 0.698E+02 0.425E+02   -.853E-01 -.695E+02 -.434E+02   0.358E-02 -.318E+00 0.856E+00   -.658E-04 0.736E-03 0.189E-02
   0.932E-02 0.383E-02 -.211E-02   -.909E-02 -.364E-02 0.220E-02   -.313E-03 -.160E-03 -.505E-04   0.114E-05 0.510E-05 -.135E-05
   0.923E+00 0.941E+01 -.280E+02   -.929E+00 -.923E+01 0.279E+02   0.575E-02 -.182E+00 0.973E-01   0.209E-05 0.745E-04 0.518E-04
   -.937E+00 -.940E+01 0.280E+02   0.943E+00 0.922E+01 -.279E+02   -.552E-02 0.182E+00 -.974E-01   -.620E-05 -.891E-04 -.550E-04
   0.728E+00 -.928E+01 -.204E+02   -.685E+00 0.932E+01 0.201E+02   -.418E-01 -.419E-01 0.273E+00   -.380E-04 -.910E-04 0.152E-03
   -.170E+01 -.621E+02 0.456E+01   0.169E+01 0.620E+02 -.481E+01   0.542E-02 0.632E-01 0.243E+00   0.124E-04 -.322E-04 0.316E-03
   -.728E+00 0.930E+01 0.204E+02   0.686E+00 -.935E+01 -.201E+02   0.418E-01 0.417E-01 -.273E+00   0.391E-04 0.900E-04 -.148E-03
   0.170E+01 0.621E+02 -.456E+01   -.169E+01 -.620E+02 0.481E+01   -.549E-02 -.631E-01 -.243E+00   -.187E-04 0.328E-04 -.322E-03
 -----------------------------------------------------------------------------------------------
   0.469E-04 -.221E-03 -.193E-03   0.622E-14 -.639E-13 0.728E-13   -.875E-04 0.125E-02 0.152E-04   0.642E-04 -.123E-04 0.507E-04
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06971      6.36140      7.89088         0.000651     -0.002433     -0.000966
     -2.90929      8.15802      4.54591        -0.000388      0.002481      0.000996
     -1.04312      1.16672      4.63276        -0.000484     -0.005343     -0.002100
     -2.90156      5.24132      2.40147        -0.000416     -0.001893     -0.005756
      1.19311      1.83174      0.31844        -0.001210      0.003286     -0.005183
     -3.08448      2.93341      5.68505         0.000483     -0.000317      0.000122
     -0.94190      4.03471      4.03766         0.001060     -0.003160      0.004900
     -1.02626      4.59867      6.87984         0.000078      0.005608      0.002132
      3.15277      0.62543      1.95468         0.000299      0.001721      0.005896
     -5.03905      7.31035      6.14716        -0.000083     -0.000028      0.000048
     -0.84852      3.63433      1.26208         0.000052      0.000390     -0.003137
      1.09956      2.23248      3.09400        -0.000019     -0.000199      0.003263
     -0.84954      6.70483      3.45942         0.000660      0.000105     -0.001325
     -2.99610      5.53481      5.14263         0.001126     -0.003013     -0.002935
     -2.80885      7.91590      1.82096        -0.000678     -0.000259      0.001225
      0.92672      0.23059      6.36994        -0.001130      0.003057      0.002819
 -----------------------------------------------------------------------------------
    total drift:                                0.000024      0.001014     -0.000127


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87791586 eV

  energy  without entropy=      -49.88283655  energy(sigma->0) =      -49.87955609
 
 d Force = 0.5130665E-04[ 0.807E-05, 0.945E-04]  d Energy = 0.5587171E-04-0.457E-05
 d Force =-0.1046472E+00[-0.106E+00,-0.103E+00]  d Ewald  =-0.3436038E+00 0.239E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


    WAVPRE:  cpu time    0.01: real time    0.01
 FEWALD executed in parallel
    FEWALD:  cpu time    0.00: real time    0.00
    GENKIN:  cpu time    0.13: real time    0.13
    ORTHCH:  cpu time    0.74: real time    0.75
     LOOP+:  cpu time  131.58: real time  132.07


----------------------------------------- Iteration   18(   1)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.62: real time   15.66
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.75: real time    1.76
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   17.40: real time   17.45

 eigenvalue-minimisations  :  6720
 total energy-change (2. order) :-0.1778396E-03  (-0.1428553E-01)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0381103 magnetization 

 Broyden mixing:
  rms(total) = 0.10465E-01    rms(broyden)= 0.10464E-01
  rms(prec ) = 0.14368E-01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.98579899
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.50084346
  PAW double counting   =      9486.53620528    -9414.50112420
  entropy T*S    EENTRO =         0.00488983
  eigenvalues    EBANDS =      -337.93526577
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87809375 eV

  energy without entropy =      -49.88298359  energy(sigma->0) =      -49.87972370


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   2)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.73: real time   17.79
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.77: real time    1.77
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.53: real time   19.60

 eigenvalue-minimisations  :  8000
 total energy-change (2. order) : 0.9459826E-04  (-0.2414556E-03)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0503751 magnetization 

 Broyden mixing:
  rms(total) = 0.52354E-02    rms(broyden)= 0.52352E-02
  rms(prec ) = 0.64386E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8606
  0.8606

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.39196117
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47556756
  PAW double counting   =      9487.13865735    -9415.12115628
  entropy T*S    EENTRO =         0.00486267
  eigenvalues    EBANDS =      -338.48612591
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87799915 eV

  energy without entropy =      -49.88286183  energy(sigma->0) =      -49.87962004


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   3)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   21.57: real time   21.64
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.76: real time    1.77
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   23.37: real time   23.44

 eigenvalue-minimisations  : 10304
 total energy-change (2. order) : 0.2888729E-04  (-0.1466154E-04)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0515490 magnetization 

 Broyden mixing:
  rms(total) = 0.30111E-02    rms(broyden)= 0.30109E-02
  rms(prec ) = 0.36377E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4874
  1.0007  1.9740

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.38763256
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.47369407
  PAW double counting   =      9487.28600425    -9415.27025909
  entropy T*S    EENTRO =         0.00485978
  eigenvalues    EBANDS =      -338.48679334
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87797027 eV

  energy without entropy =      -49.88283005  energy(sigma->0) =      -49.87959019


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   4)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   17.74: real time   17.79
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.76: real time    1.77
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   19.54: real time   19.59

 eigenvalue-minimisations  :  7984
 total energy-change (2. order) : 0.1334292E-04  (-0.3678097E-05)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0520207 magnetization 

 Broyden mixing:
  rms(total) = 0.75626E-03    rms(broyden)= 0.75624E-03
  rms(prec ) = 0.81579E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4359
  2.0876  1.3270  0.8930

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.35838526
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46996735
  PAW double counting   =      9488.08720514    -9416.07268048
  entropy T*S    EENTRO =         0.00485489
  eigenvalues    EBANDS =      -338.51107518
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795692 eV

  energy without entropy =      -49.88281181  energy(sigma->0) =      -49.87957522


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   5)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   19.31: real time   19.36
       DOS:  cpu time    0.00: real time    0.00
    CHARGE:  cpu time    1.73: real time    1.74
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   21.07: real time   21.13

 eigenvalue-minimisations  :  8944
 total energy-change (2. order) :-0.6378395E-06  (-0.3362489E-06)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0517213 magnetization 

 Broyden mixing:
  rms(total) = 0.38672E-03    rms(broyden)= 0.38666E-03
  rms(prec ) = 0.39946E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4505
  0.9458  0.9458  1.9552  1.9552

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.36199354
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46981058
  PAW double counting   =      9488.10069047    -9416.08501039
  entropy T*S    EENTRO =         0.00485579
  eigenvalues    EBANDS =      -338.50846710
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795756 eV

  energy without entropy =      -49.88281335  energy(sigma->0) =      -49.87957616


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.03
    SETDIJ:  cpu time    0.00: real time    0.00
     EDDAV:  cpu time   15.04: real time   15.09
       DOS:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time   15.07: real time   15.12

 eigenvalue-minimisations  :  6288
 total energy-change (2. order) :-0.5554284E-07  (-0.1757640E-07)
 number of electron     120.0000030 magnetization 
 augmentation part       42.0517213 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =       469.25679346
  Ewald energy   TEWEN  =     -8354.96421214
  -1/2 Hartree   DENC   =     -1872.36076587
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       220.46974546
  PAW double counting   =      9488.08208253    -9416.06548586
  entropy T*S    EENTRO =         0.00485562
  eigenvalues    EBANDS =      -338.51054612
  atomic energy  EATOM  =      9754.20957531
  ---------------------------------------------------
  free energy    TOTEN  =       -49.87795762 eV

  energy without entropy =      -49.88281323  energy(sigma->0) =      -49.87957616


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.2098  0.7079
  (the norm of the test charge is              1.0000)
       1 -67.4556       2 -67.4556       3 -67.5445       4 -67.5088       5 -67.5362
       6 -67.5974       7 -67.5362       8 -67.5446       9 -67.5088      10 -58.8688
      11 -59.0028      12 -59.0028      13 -58.7048      14 -58.7467      15 -58.7049
      16 -58.7467
 
 
 
 E-fermi :   6.0221     XC(G=0): -10.7499     alpha+bet :-12.3682


 k-point   1 :       0.0000    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9169      2.00000
      2     -39.9097      2.00000
      3     -39.7749      2.00000
      4     -39.6534      2.00000
      5     -39.6531      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.9463      2.00000
      9      -0.6561      2.00000
     10      -0.1267      2.00000
     11       0.1679      2.00000
     12       0.2622      2.00000
     13       0.2908      2.00000
     14       0.4336      2.00000
     15       0.5329      2.00000
     16       0.6042      2.00000
     17       0.6292      2.00000
     18       0.6688      2.00000
     19       0.7413      2.00000
     20       0.8922      2.00000
     21       0.9395      2.00000
     22       1.0534      2.00000
     23       1.0966      2.00000
     24       1.1864      2.00000
     25       1.2201      2.00000
     26       1.2812      2.00000
     27       1.3118      2.00000
     28       1.5815      2.00000
     29       1.6505      2.00000
     30       1.7144      2.00000
     31       1.7412      2.00000
     32       1.7936      2.00000
     33       1.9210      2.00000
     34       1.9422      2.00000
     35       2.1503      2.00000
     36       2.1744      2.00000
     37       2.2789      2.00000
     38       2.3101      2.00000
     39       2.4502      2.00000
     40       2.5303      2.00000
     41       2.5870      2.00000
     42       2.6388      2.00000
     43       2.7291      2.00000
     44       2.8698      2.00000
     45       2.8730      2.00000
     46       2.9069      2.00000
     47       3.0034      2.00000
     48       3.0462      2.00000
     49       3.0996      2.00000
     50       3.1305      2.00000
     51       3.3309      2.00000
     52       3.3837      2.00000
     53       3.5047      2.00000
     54       3.5854      2.00000
     55       3.8982      2.00000
     56       4.0746      2.00000
     57       4.2310      2.00000
     58       4.2330      2.00000
     59       4.9599      2.00000
     60       5.6208      2.01564
     61       6.2901     -0.06744
     62       8.1790     -0.00000
     63       8.2904     -0.00000
     64       8.3290     -0.00000
     65       8.9321     -0.00000
     66       9.6775     -0.00000
     67      10.3927     -0.00000
     68      10.7397     -0.00000
     69      11.4921      0.00000
     70      11.7707      0.00000
     71      11.8337      0.00000
     72      12.0555      0.00000
     73      12.2775      0.00000
     74      12.3460      0.00000
     75      12.5280      0.00000
     76      12.8054      0.00000
     77      13.2963      0.00000
     78      13.6743      0.00000
     79      13.7937      0.00000
     80      14.6455      0.00000

 k-point   2 :       0.1429    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6740      2.00000
      9      -0.5763      2.00000
     10      -0.2740      2.00000
     11       0.2606      2.00000
     12       0.2789      2.00000
     13       0.3858      2.00000
     14       0.4637      2.00000
     15       0.5978      2.00000
     16       0.6106      2.00000
     17       0.7298      2.00000
     18       0.8231      2.00000
     19       0.9083      2.00000
     20       0.9330      2.00000
     21       0.9746      2.00000
     22       1.0980      2.00000
     23       1.1176      2.00000
     24       1.1978      2.00000
     25       1.2486      2.00000
     26       1.3479      2.00000
     27       1.3819      2.00000
     28       1.4954      2.00000
     29       1.6283      2.00000
     30       1.6613      2.00000
     31       1.7517      2.00000
     32       1.8226      2.00000
     33       1.8564      2.00000
     34       2.0107      2.00000
     35       2.0377      2.00000
     36       2.1747      2.00000
     37       2.2523      2.00000
     38       2.3617      2.00000
     39       2.4565      2.00000
     40       2.5061      2.00000
     41       2.5663      2.00000
     42       2.6077      2.00000
     43       2.6856      2.00000
     44       2.7361      2.00000
     45       2.8041      2.00000
     46       2.8234      2.00000
     47       2.9253      2.00000
     48       3.0531      2.00000
     49       3.1135      2.00000
     50       3.1970      2.00000
     51       3.2398      2.00000
     52       3.2702      2.00000
     53       3.4187      2.00000
     54       3.6181      2.00000
     55       3.7177      2.00000
     56       3.8521      2.00000
     57       4.0975      2.00000
     58       4.5859      2.00000
     59       5.5204      2.00223
     60       6.2869     -0.06828
     61       6.7969     -0.00000
     62       7.1006     -0.00000
     63       7.7185     -0.00000
     64       8.1537     -0.00000
     65       8.5885     -0.00000
     66       8.7241     -0.00000
     67       9.6357     -0.00000
     68      10.3020     -0.00000
     69      10.6242     -0.00000
     70      10.6660     -0.00000
     71      11.1357     -0.00000
     72      11.7252      0.00000
     73      12.5623      0.00000
     74      12.9572      0.00000
     75      13.2300      0.00000
     76      13.2995      0.00000
     77      13.4873      0.00000
     78      13.8581      0.00000
     79      14.4525      0.00000
     80      14.7246      0.00000

 k-point   3 :       0.2857    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0334      2.00000
      9      -0.4138      2.00000
     10      -0.1267      2.00000
     11       0.3199      2.00000
     12       0.4204      2.00000
     13       0.4978      2.00000
     14       0.5847      2.00000
     15       0.6449      2.00000
     16       0.7340      2.00000
     17       0.8393      2.00000
     18       0.9152      2.00000
     19       0.9965      2.00000
     20       1.0430      2.00000
     21       1.0758      2.00000
     22       1.1732      2.00000
     23       1.2286      2.00000
     24       1.2792      2.00000
     25       1.3083      2.00000
     26       1.3569      2.00000
     27       1.4538      2.00000
     28       1.5525      2.00000
     29       1.6054      2.00000
     30       1.7254      2.00000
     31       1.8139      2.00000
     32       1.8593      2.00000
     33       1.9598      2.00000
     34       2.0175      2.00000
     35       2.1112      2.00000
     36       2.1248      2.00000
     37       2.1920      2.00000
     38       2.2562      2.00000
     39       2.3068      2.00000
     40       2.4020      2.00000
     41       2.4925      2.00000
     42       2.5405      2.00000
     43       2.6568      2.00000
     44       2.6972      2.00000
     45       2.7448      2.00000
     46       2.7966      2.00000
     47       2.8401      2.00000
     48       2.9260      2.00000
     49       3.0142      2.00000
     50       3.1001      2.00000
     51       3.1432      2.00000
     52       3.2359      2.00000
     53       3.3627      2.00000
     54       3.4606      2.00000
     55       3.5842      2.00000
     56       3.8222      2.00000
     57       4.6163      2.00000
     58       5.0134      2.00000
     59       5.4476      2.00037
     60       5.7896      2.06962
     61       6.4872     -0.00488
     62       6.8429     -0.00000
     63       6.9886     -0.00000
     64       7.5332     -0.00000
     65       7.9944     -0.00000
     66       8.3494     -0.00000
     67       8.6833     -0.00000
     68       9.4231     -0.00000
     69       9.8090     -0.00000
     70      10.3582     -0.00000
     71      10.4759     -0.00000
     72      10.7963     -0.00000
     73      11.4125     -0.00000
     74      12.1866      0.00000
     75      13.1328      0.00000
     76      13.7059      0.00000
     77      13.7683      0.00000
     78      13.8854      0.00000
     79      14.2848      0.00000
     80      14.6959      0.00000

 k-point   4 :       0.4286    0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3914      2.00000
      9      -0.1106      2.00000
     10       0.0907      2.00000
     11       0.1621      2.00000
     12       0.4837      2.00000
     13       0.5088      2.00000
     14       0.5593      2.00000
     15       0.6346      2.00000
     16       0.8245      2.00000
     17       0.9177      2.00000
     18       0.9321      2.00000
     19       1.1127      2.00000
     20       1.1699      2.00000
     21       1.1839      2.00000
     22       1.2655      2.00000
     23       1.3706      2.00000
     24       1.3888      2.00000
     25       1.4059      2.00000
     26       1.4779      2.00000
     27       1.5188      2.00000
     28       1.6442      2.00000
     29       1.6839      2.00000
     30       1.7329      2.00000
     31       1.8059      2.00000
     32       1.9129      2.00000
     33       1.9578      2.00000
     34       2.0629      2.00000
     35       2.1479      2.00000
     36       2.1662      2.00000
     37       2.1848      2.00000
     38       2.2802      2.00000
     39       2.3157      2.00000
     40       2.3747      2.00000
     41       2.4647      2.00000
     42       2.4832      2.00000
     43       2.5516      2.00000
     44       2.6413      2.00000
     45       2.6710      2.00000
     46       2.7602      2.00000
     47       2.8041      2.00000
     48       2.8414      2.00000
     49       2.9254      2.00000
     50       3.0610      2.00000
     51       3.1650      2.00000
     52       3.2700      2.00000
     53       3.3653      2.00000
     54       3.5574      2.00000
     55       3.6392      2.00000
     56       3.8292      2.00000
     57       4.1515      2.00000
     58       4.3007      2.00000
     59       5.1402      2.00000
     60       5.8659      1.97028
     61       6.0549      0.72694
     62       6.1799      0.02583
     63       6.8191     -0.00000
     64       7.0818     -0.00000
     65       7.6668     -0.00000
     66       8.2192     -0.00000
     67       8.4901     -0.00000
     68       8.8396     -0.00000
     69       9.4926     -0.00000
     70       9.7790     -0.00000
     71      10.5275     -0.00000
     72      10.9740     -0.00000
     73      11.1321     -0.00000
     74      11.7929      0.00000
     75      12.2824      0.00000
     76      12.7759      0.00000
     77      13.4067      0.00000
     78      13.7835      0.00000
     79      13.9673      0.00000
     80      14.6595      0.00000

 k-point   5 :      -0.4286   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4460      2.00000
      9      -0.1804      2.00000
     10       0.0365      2.00000
     11       0.1360      2.00000
     12       0.5038      2.00000
     13       0.5257      2.00000
     14       0.7048      2.00000
     15       0.7398      2.00000
     16       0.8739      2.00000
     17       0.9132      2.00000
     18       0.9899      2.00000
     19       1.0656      2.00000
     20       1.0876      2.00000
     21       1.2392      2.00000
     22       1.2761      2.00000
     23       1.3280      2.00000
     24       1.3854      2.00000
     25       1.3952      2.00000
     26       1.4467      2.00000
     27       1.4955      2.00000
     28       1.6692      2.00000
     29       1.6997      2.00000
     30       1.7460      2.00000
     31       1.8026      2.00000
     32       1.8812      2.00000
     33       1.9064      2.00000
     34       2.0455      2.00000
     35       2.0856      2.00000
     36       2.1472      2.00000
     37       2.1645      2.00000
     38       2.2320      2.00000
     39       2.3411      2.00000
     40       2.4424      2.00000
     41       2.4663      2.00000
     42       2.5436      2.00000
     43       2.5849      2.00000
     44       2.6290      2.00000
     45       2.6765      2.00000
     46       2.7334      2.00000
     47       2.8118      2.00000
     48       2.8499      2.00000
     49       2.9098      2.00000
     50       3.0993      2.00000
     51       3.1823      2.00000
     52       3.2071      2.00000
     53       3.5220      2.00000
     54       3.5535      2.00000
     55       3.7442      2.00000
     56       4.2066      2.00000
     57       4.3956      2.00000
     58       4.5681      2.00000
     59       4.7265      2.00000
     60       5.1901      2.00000
     61       5.6252      2.01678
     62       6.0852      0.49435
     63       6.1025      0.37672
     64       7.1114     -0.00000
     65       8.2627     -0.00000
     66       8.3962     -0.00000
     67       8.9120     -0.00000
     68       9.1510     -0.00000
     69       9.2545     -0.00000
     70       9.9681     -0.00000
     71      10.4739     -0.00000
     72      10.6068     -0.00000
     73      11.3628     -0.00000
     74      11.9367      0.00000
     75      12.5857      0.00000
     76      13.1497      0.00000
     77      13.5166      0.00000
     78      13.8855      0.00000
     79      14.1354      0.00000
     80      14.4578      0.00000

 k-point   6 :      -0.2857   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6145      2.00000
      7     -39.6052      2.00000
      8      -1.1637      2.00000
      9      -0.4825      2.00000
     10       0.0234      2.00000
     11       0.1472      2.00000
     12       0.5191      2.00000
     13       0.5858      2.00000
     14       0.6497      2.00000
     15       0.6868      2.00000
     16       0.8202      2.00000
     17       0.8353      2.00000
     18       0.8702      2.00000
     19       0.9574      2.00000
     20       1.0881      2.00000
     21       1.1271      2.00000
     22       1.1881      2.00000
     23       1.2085      2.00000
     24       1.3050      2.00000
     25       1.3378      2.00000
     26       1.3949      2.00000
     27       1.4456      2.00000
     28       1.4750      2.00000
     29       1.6374      2.00000
     30       1.7369      2.00000
     31       1.7644      2.00000
     32       1.8413      2.00000
     33       1.9006      2.00000
     34       1.9614      2.00000
     35       2.0584      2.00000
     36       2.1607      2.00000
     37       2.2287      2.00000
     38       2.2966      2.00000
     39       2.3651      2.00000
     40       2.4441      2.00000
     41       2.5204      2.00000
     42       2.5580      2.00000
     43       2.6056      2.00000
     44       2.6596      2.00000
     45       2.7695      2.00000
     46       2.7936      2.00000
     47       2.8783      2.00000
     48       2.8909      2.00000
     49       3.0494      2.00000
     50       3.0913      2.00000
     51       3.1393      2.00000
     52       3.2084      2.00000
     53       3.3177      2.00000
     54       3.5333      2.00000
     55       3.7024      2.00000
     56       4.1025      2.00000
     57       4.4596      2.00000
     58       4.8494      2.00000
     59       5.4999      2.00139
     60       5.7099      2.04971
     61       6.0859      0.48981
     62       6.3636     -0.03646
     63       6.9698     -0.00000
     64       7.1850     -0.00000
     65       7.5867     -0.00000
     66       8.2332     -0.00000
     67       8.9717     -0.00000
     68       9.2517     -0.00000
     69      10.2469     -0.00000
     70      11.0495     -0.00000
     71      11.3118     -0.00000
     72      11.6879      0.00000
     73      12.1298      0.00000
     74      12.3780      0.00000
     75      12.7992      0.00000
     76      13.4316      0.00000
     77      13.6381      0.00000
     78      13.9019      0.00000
     79      14.2995      0.00000
     80      14.4155      0.00000

 k-point   7 :      -0.1429   -0.0000    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6533      2.00000
      5     -39.6531      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.7580      2.00000
      9      -0.6396      2.00000
     10       0.0404      2.00000
     11       0.1803      2.00000
     12       0.3288      2.00000
     13       0.3364      2.00000
     14       0.4025      2.00000
     15       0.6249      2.00000
     16       0.6436      2.00000
     17       0.7312      2.00000
     18       0.8103      2.00000
     19       0.8832      2.00000
     20       0.9070      2.00000
     21       1.0612      2.00000
     22       1.0644      2.00000
     23       1.1517      2.00000
     24       1.2175      2.00000
     25       1.2765      2.00000
     26       1.3013      2.00000
     27       1.3319      2.00000
     28       1.4616      2.00000
     29       1.6643      2.00000
     30       1.6819      2.00000
     31       1.7699      2.00000
     32       1.8300      2.00000
     33       1.9047      2.00000
     34       1.9240      2.00000
     35       2.0773      2.00000
     36       2.1547      2.00000
     37       2.2880      2.00000
     38       2.3372      2.00000
     39       2.3837      2.00000
     40       2.4846      2.00000
     41       2.5212      2.00000
     42       2.6218      2.00000
     43       2.7422      2.00000
     44       2.7975      2.00000
     45       2.8284      2.00000
     46       2.8724      2.00000
     47       2.9351      2.00000
     48       3.0244      2.00000
     49       3.0908      2.00000
     50       3.1263      2.00000
     51       3.2102      2.00000
     52       3.2675      2.00000
     53       3.4377      2.00000
     54       3.6811      2.00000
     55       3.7951      2.00000
     56       3.9501      2.00000
     57       4.1250      2.00000
     58       4.8643      2.00000
     59       5.0436      2.00000
     60       5.5638      2.00558
     61       6.7334     -0.00001
     62       7.1780     -0.00000
     63       7.7317     -0.00000
     64       8.2319     -0.00000
     65       8.6873     -0.00000
     66       8.9819     -0.00000
     67       9.3916     -0.00000
     68      10.1962     -0.00000
     69      10.7724     -0.00000
     70      10.8381     -0.00000
     71      11.4206     -0.00000
     72      12.4768      0.00000
     73      12.9025      0.00000
     74      13.0712      0.00000
     75      13.2644      0.00000
     76      13.4505      0.00000
     77      13.8112      0.00000
     78      13.8843      0.00000
     79      14.3180      0.00000
     80      14.4293      0.00000

 k-point   8 :       0.0000    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9169      2.00000
      2     -39.9097      2.00000
      3     -39.7749      2.00000
      4     -39.6535      2.00000
      5     -39.6530      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.8664      2.00000
      9      -0.8997      2.00000
     10      -0.0338      2.00000
     11       0.1612      2.00000
     12       0.2100      2.00000
     13       0.2928      2.00000
     14       0.4270      2.00000
     15       0.5775      2.00000
     16       0.6082      2.00000
     17       0.6208      2.00000
     18       0.6859      2.00000
     19       0.7709      2.00000
     20       0.8435      2.00000
     21       0.9351      2.00000
     22       1.0374      2.00000
     23       1.0789      2.00000
     24       1.2484      2.00000
     25       1.2973      2.00000
     26       1.3916      2.00000
     27       1.4138      2.00000
     28       1.5898      2.00000
     29       1.6069      2.00000
     30       1.6493      2.00000
     31       1.7046      2.00000
     32       1.8042      2.00000
     33       1.8842      2.00000
     34       1.9450      2.00000
     35       2.1708      2.00000
     36       2.2212      2.00000
     37       2.2357      2.00000
     38       2.2968      2.00000
     39       2.4440      2.00000
     40       2.5008      2.00000
     41       2.6220      2.00000
     42       2.6601      2.00000
     43       2.6672      2.00000
     44       2.8221      2.00000
     45       2.8414      2.00000
     46       2.8873      2.00000
     47       2.9074      2.00000
     48       3.0602      2.00000
     49       3.1082      2.00000
     50       3.1471      2.00000
     51       3.3235      2.00000
     52       3.3641      2.00000
     53       3.4608      2.00000
     54       3.6348      2.00000
     55       3.9617      2.00000
     56       4.2225      2.00000
     57       4.2344      2.00000
     58       4.3447      2.00000
     59       4.9021      2.00000
     60       6.2815     -0.06946
     61       6.5029     -0.00352
     62       6.9232     -0.00000
     63       7.1802     -0.00000
     64       8.8245     -0.00000
     65       9.5534     -0.00000
     66       9.7185     -0.00000
     67       9.9026     -0.00000
     68      10.9920     -0.00000
     69      11.2079     -0.00000
     70      11.2995     -0.00000
     71      11.4544     -0.00000
     72      12.3180      0.00000
     73      12.6932      0.00000
     74      13.1368      0.00000
     75      13.3953      0.00000
     76      13.5274      0.00000
     77      13.8294      0.00000
     78      13.9917      0.00000
     79      14.2784      0.00000
     80      14.5394      0.00000

 k-point   9 :       0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.5857      2.00000
      9      -0.8187      2.00000
     10      -0.1504      2.00000
     11       0.2256      2.00000
     12       0.2630      2.00000
     13       0.4218      2.00000
     14       0.5006      2.00000
     15       0.5744      2.00000
     16       0.6162      2.00000
     17       0.6867      2.00000
     18       0.7851      2.00000
     19       0.8845      2.00000
     20       0.9558      2.00000
     21       0.9830      2.00000
     22       1.0502      2.00000
     23       1.1562      2.00000
     24       1.2146      2.00000
     25       1.2940      2.00000
     26       1.3659      2.00000
     27       1.4019      2.00000
     28       1.5271      2.00000
     29       1.5629      2.00000
     30       1.6177      2.00000
     31       1.6705      2.00000
     32       1.8891      2.00000
     33       1.9682      2.00000
     34       2.0182      2.00000
     35       2.1618      2.00000
     36       2.1856      2.00000
     37       2.2688      2.00000
     38       2.3173      2.00000
     39       2.3650      2.00000
     40       2.3908      2.00000
     41       2.4506      2.00000
     42       2.6578      2.00000
     43       2.6722      2.00000
     44       2.7729      2.00000
     45       2.7916      2.00000
     46       2.8398      2.00000
     47       2.9823      2.00000
     48       3.0120      2.00000
     49       3.1171      2.00000
     50       3.1799      2.00000
     51       3.1869      2.00000
     52       3.3068      2.00000
     53       3.4584      2.00000
     54       3.6504      2.00000
     55       3.7025      2.00000
     56       3.8922      2.00000
     57       4.4346      2.00000
     58       4.9001      2.00000
     59       5.5492      2.00415
     60       5.8581      1.99019
     61       6.5008     -0.00368
     62       7.0489     -0.00000
     63       7.5250     -0.00000
     64       8.0736     -0.00000
     65       8.3057     -0.00000
     66       8.9240     -0.00000
     67       9.4116     -0.00000
     68       9.6754     -0.00000
     69      10.4629     -0.00000
     70      12.0134      0.00000
     71      12.3077      0.00000
     72      12.4006      0.00000
     73      12.5609      0.00000
     74      12.7260      0.00000
     75      12.8443      0.00000
     76      13.3305      0.00000
     77      13.6082      0.00000
     78      13.9259      0.00000
     79      14.0122      0.00000
     80      14.4170      0.00000

 k-point  10 :       0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0288      2.00000
      9      -0.3881      2.00000
     10      -0.1355      2.00000
     11       0.3194      2.00000
     12       0.3957      2.00000
     13       0.4934      2.00000
     14       0.5304      2.00000
     15       0.6707      2.00000
     16       0.7799      2.00000
     17       0.8122      2.00000
     18       0.9306      2.00000
     19       0.9396      2.00000
     20       1.0285      2.00000
     21       1.0721      2.00000
     22       1.1602      2.00000
     23       1.2169      2.00000
     24       1.3030      2.00000
     25       1.3497      2.00000
     26       1.4096      2.00000
     27       1.4760      2.00000
     28       1.5459      2.00000
     29       1.6109      2.00000
     30       1.7530      2.00000
     31       1.8232      2.00000
     32       1.8865      2.00000
     33       1.9229      2.00000
     34       1.9881      2.00000
     35       2.0435      2.00000
     36       2.0832      2.00000
     37       2.1369      2.00000
     38       2.2131      2.00000
     39       2.3138      2.00000
     40       2.4661      2.00000
     41       2.5031      2.00000
     42       2.5642      2.00000
     43       2.6249      2.00000
     44       2.6833      2.00000
     45       2.7966      2.00000
     46       2.8225      2.00000
     47       2.8745      2.00000
     48       2.9211      2.00000
     49       2.9722      2.00000
     50       3.0838      2.00000
     51       3.1708      2.00000
     52       3.2473      2.00000
     53       3.2843      2.00000
     54       3.4691      2.00000
     55       3.6092      2.00000
     56       4.0120      2.00000
     57       4.4785      2.00000
     58       5.2554      2.00000
     59       5.6820      2.03704
     60       5.9020      1.84081
     61       6.2943     -0.06620
     62       6.5232     -0.00226
     63       6.6986     -0.00002
     64       7.4444     -0.00000
     65       7.6918     -0.00000
     66       8.1085     -0.00000
     67       9.1392     -0.00000
     68       9.8378     -0.00000
     69       9.9451     -0.00000
     70      10.1175     -0.00000
     71      11.1075     -0.00000
     72      11.1888     -0.00000
     73      11.7628      0.00000
     74      12.0808      0.00000
     75      12.4246      0.00000
     76      12.7685      0.00000
     77      13.2923      0.00000
     78      13.6760      0.00000
     79      14.0645      0.00000
     80      14.4119      0.00000

 k-point  11 :       0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3918      2.00000
      9      -0.0888      2.00000
     10       0.0696      2.00000
     11       0.1435      2.00000
     12       0.4155      2.00000
     13       0.5162      2.00000
     14       0.6029      2.00000
     15       0.7117      2.00000
     16       0.8505      2.00000
     17       0.9021      2.00000
     18       0.9128      2.00000
     19       1.0945      2.00000
     20       1.1515      2.00000
     21       1.1804      2.00000
     22       1.2449      2.00000
     23       1.3148      2.00000
     24       1.4007      2.00000
     25       1.4592      2.00000
     26       1.4926      2.00000
     27       1.5939      2.00000
     28       1.6669      2.00000
     29       1.7108      2.00000
     30       1.7299      2.00000
     31       1.8341      2.00000
     32       1.8797      2.00000
     33       1.9589      2.00000
     34       1.9807      2.00000
     35       2.0731      2.00000
     36       2.1231      2.00000
     37       2.2358      2.00000
     38       2.3017      2.00000
     39       2.3468      2.00000
     40       2.3910      2.00000
     41       2.4569      2.00000
     42       2.5131      2.00000
     43       2.5260      2.00000
     44       2.6255      2.00000
     45       2.6903      2.00000
     46       2.7325      2.00000
     47       2.7948      2.00000
     48       2.8445      2.00000
     49       2.8715      2.00000
     50       3.0688      2.00000
     51       3.1405      2.00000
     52       3.2701      2.00000
     53       3.3258      2.00000
     54       3.4819      2.00000
     55       3.5886      2.00000
     56       3.7351      2.00000
     57       4.4146      2.00000
     58       4.7798      2.00000
     59       5.1309      2.00000
     60       5.6615      2.02863
     61       5.9529      1.54870
     62       6.2105     -0.03593
     63       6.5161     -0.00265
     64       6.7349     -0.00001
     65       7.7485     -0.00000
     66       8.0518     -0.00000
     67       8.5102     -0.00000
     68       9.3196     -0.00000
     69       9.7558     -0.00000
     70      10.1760     -0.00000
     71      10.8705     -0.00000
     72      10.9748     -0.00000
     73      11.3783     -0.00000
     74      11.5826      0.00000
     75      12.1198      0.00000
     76      12.4566      0.00000
     77      13.1358      0.00000
     78      13.4273      0.00000
     79      14.0249      0.00000
     80      14.2873      0.00000

 k-point  12 :      -0.4286    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4427      2.00000
      9      -0.1571      2.00000
     10      -0.0393      2.00000
     11       0.1358      2.00000
     12       0.5471      2.00000
     13       0.6631      2.00000
     14       0.6991      2.00000
     15       0.7272      2.00000
     16       0.7974      2.00000
     17       0.8816      2.00000
     18       0.9535      2.00000
     19       1.0793      2.00000
     20       1.1048      2.00000
     21       1.1368      2.00000
     22       1.2612      2.00000
     23       1.3349      2.00000
     24       1.3668      2.00000
     25       1.3921      2.00000
     26       1.5419      2.00000
     27       1.5873      2.00000
     28       1.6691      2.00000
     29       1.7134      2.00000
     30       1.7607      2.00000
     31       1.8168      2.00000
     32       1.8540      2.00000
     33       1.9596      2.00000
     34       2.0028      2.00000
     35       2.0912      2.00000
     36       2.1623      2.00000
     37       2.2397      2.00000
     38       2.3284      2.00000
     39       2.3395      2.00000
     40       2.4479      2.00000
     41       2.4691      2.00000
     42       2.4940      2.00000
     43       2.5192      2.00000
     44       2.5641      2.00000
     45       2.5819      2.00000
     46       2.7221      2.00000
     47       2.7607      2.00000
     48       2.8116      2.00000
     49       2.8814      2.00000
     50       3.1260      2.00000
     51       3.1631      2.00000
     52       3.2877      2.00000
     53       3.5117      2.00000
     54       3.5745      2.00000
     55       3.6467      2.00000
     56       4.0745      2.00000
     57       4.4104      2.00000
     58       4.5213      2.00000
     59       5.0047      2.00000
     60       5.1499      2.00000
     61       5.8153      2.05663
     62       6.1452      0.14666
     63       6.5133     -0.00281
     64       7.1544     -0.00000
     65       7.2569     -0.00000
     66       7.7757     -0.00000
     67       8.3393     -0.00000
     68       9.5450     -0.00000
     69       9.9827     -0.00000
     70      10.5786     -0.00000
     71      10.9935     -0.00000
     72      11.2548     -0.00000
     73      11.7980      0.00000
     74      12.0384      0.00000
     75      12.2734      0.00000
     76      12.8839      0.00000
     77      13.1361      0.00000
     78      13.3331      0.00000
     79      14.1333      0.00000
     80      14.3399      0.00000

 k-point  13 :      -0.2857    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6530      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.2092      2.00000
      9      -0.3482      2.00000
     10      -0.0783      2.00000
     11       0.1065      2.00000
     12       0.5471      2.00000
     13       0.5705      2.00000
     14       0.6372      2.00000
     15       0.7109      2.00000
     16       0.8433      2.00000
     17       0.8768      2.00000
     18       0.9436      2.00000
     19       1.0010      2.00000
     20       1.0837      2.00000
     21       1.1080      2.00000
     22       1.1725      2.00000
     23       1.2463      2.00000
     24       1.2621      2.00000
     25       1.3180      2.00000
     26       1.3852      2.00000
     27       1.3916      2.00000
     28       1.5528      2.00000
     29       1.6765      2.00000
     30       1.6992      2.00000
     31       1.8152      2.00000
     32       1.8816      2.00000
     33       1.9274      2.00000
     34       2.0056      2.00000
     35       2.0253      2.00000
     36       2.0546      2.00000
     37       2.1585      2.00000
     38       2.2056      2.00000
     39       2.4005      2.00000
     40       2.4399      2.00000
     41       2.4917      2.00000
     42       2.5393      2.00000
     43       2.6197      2.00000
     44       2.6621      2.00000
     45       2.7692      2.00000
     46       2.8562      2.00000
     47       2.8848      2.00000
     48       2.9178      2.00000
     49       3.0216      2.00000
     50       3.0545      2.00000
     51       3.1022      2.00000
     52       3.1929      2.00000
     53       3.2830      2.00000
     54       3.5307      2.00000
     55       3.6540      2.00000
     56       4.0078      2.00000
     57       4.3365      2.00000
     58       5.3283      2.00001
     59       5.4744      2.00075
     60       5.6671      2.03081
     61       5.8420      2.02300
     62       6.6329     -0.00014
     63       6.9621     -0.00000
     64       7.4644     -0.00000
     65       7.8357     -0.00000
     66       7.8997     -0.00000
     67       8.4596     -0.00000
     68       9.6855     -0.00000
     69       9.9887     -0.00000
     70      10.4247     -0.00000
     71      11.7597      0.00000
     72      12.2434      0.00000
     73      12.5602      0.00000
     74      12.8864      0.00000
     75      13.0875      0.00000
     76      13.4004      0.00000
     77      13.4569      0.00000
     78      13.5423      0.00000
     79      13.8907      0.00000
     80      14.1007      0.00000

 k-point  14 :      -0.1429    0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6533      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.7454      2.00000
      9      -0.6739      2.00000
     10       0.0102      2.00000
     11       0.2332      2.00000
     12       0.3185      2.00000
     13       0.3393      2.00000
     14       0.4021      2.00000
     15       0.6259      2.00000
     16       0.6394      2.00000
     17       0.7164      2.00000
     18       0.8085      2.00000
     19       0.8747      2.00000
     20       0.9538      2.00000
     21       1.0187      2.00000
     22       1.0859      2.00000
     23       1.1533      2.00000
     24       1.2285      2.00000
     25       1.2589      2.00000
     26       1.3344      2.00000
     27       1.3969      2.00000
     28       1.4379      2.00000
     29       1.6045      2.00000
     30       1.6792      2.00000
     31       1.7240      2.00000
     32       1.8239      2.00000
     33       1.8763      2.00000
     34       1.9574      2.00000
     35       2.1343      2.00000
     36       2.1918      2.00000
     37       2.2605      2.00000
     38       2.3104      2.00000
     39       2.3981      2.00000
     40       2.5156      2.00000
     41       2.5375      2.00000
     42       2.6124      2.00000
     43       2.7249      2.00000
     44       2.7602      2.00000
     45       2.8027      2.00000
     46       2.8823      2.00000
     47       2.9649      2.00000
     48       2.9977      2.00000
     49       3.1198      2.00000
     50       3.1589      2.00000
     51       3.2095      2.00000
     52       3.2871      2.00000
     53       3.4339      2.00000
     54       3.6323      2.00000
     55       3.7823      2.00000
     56       3.9547      2.00000
     57       4.1564      2.00000
     58       4.5089      2.00000
     59       5.2859      2.00000
     60       6.0626      0.66500
     61       6.5867     -0.00049
     62       6.9955     -0.00000
     63       7.7981     -0.00000
     64       8.0743     -0.00000
     65       8.3175     -0.00000
     66       8.7207     -0.00000
     67       9.6858     -0.00000
     68      10.4576     -0.00000
     69      10.9170     -0.00000
     70      11.0418     -0.00000
     71      11.3086     -0.00000
     72      12.5059      0.00000
     73      12.8886      0.00000
     74      13.0419      0.00000
     75      13.1621      0.00000
     76      13.5055      0.00000
     77      13.5926      0.00000
     78      13.9462      0.00000
     79      14.3532      0.00000
     80      14.4808      0.00000

 k-point  15 :       0.0000   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6535      2.00000
      5     -39.6530      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.8585      2.00000
      9      -0.9367      2.00000
     10       0.0364      2.00000
     11       0.1683      2.00000
     12       0.2073      2.00000
     13       0.2872      2.00000
     14       0.4202      2.00000
     15       0.5892      2.00000
     16       0.6105      2.00000
     17       0.6196      2.00000
     18       0.6887      2.00000
     19       0.7208      2.00000
     20       0.8377      2.00000
     21       0.9493      2.00000
     22       1.0873      2.00000
     23       1.1024      2.00000
     24       1.1989      2.00000
     25       1.2689      2.00000
     26       1.3505      2.00000
     27       1.3605      2.00000
     28       1.5523      2.00000
     29       1.6493      2.00000
     30       1.6911      2.00000
     31       1.7105      2.00000
     32       1.7990      2.00000
     33       1.8689      2.00000
     34       1.8979      2.00000
     35       2.1233      2.00000
     36       2.2194      2.00000
     37       2.2545      2.00000
     38       2.3896      2.00000
     39       2.4355      2.00000
     40       2.5278      2.00000
     41       2.5938      2.00000
     42       2.6228      2.00000
     43       2.6777      2.00000
     44       2.8500      2.00000
     45       2.8698      2.00000
     46       2.9852      2.00000
     47       3.0439      2.00000
     48       3.0558      2.00000
     49       3.1250      2.00000
     50       3.1932      2.00000
     51       3.2781      2.00000
     52       3.3169      2.00000
     53       3.5465      2.00000
     54       3.6505      2.00000
     55       3.9205      2.00000
     56       3.9400      2.00000
     57       4.2188      2.00000
     58       4.4076      2.00000
     59       5.0019      2.00000
     60       5.5943      2.00994
     61       6.2214     -0.04951
     62       7.7631     -0.00000
     63       8.1603     -0.00000
     64       8.6184     -0.00000
     65       8.6557     -0.00000
     66       9.7838     -0.00000
     67      10.4039     -0.00000
     68      10.5961     -0.00000
     69      10.8154     -0.00000
     70      11.2555     -0.00000
     71      11.7541      0.00000
     72      12.4676      0.00000
     73      12.7210      0.00000
     74      12.8312      0.00000
     75      13.1427      0.00000
     76      13.2500      0.00000
     77      13.6855      0.00000
     78      14.4330      0.00000
     79      14.4982      0.00000
     80      14.5692      0.00000

 k-point  16 :       0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6566      2.00000
      9      -0.6563      2.00000
     10      -0.2079      2.00000
     11       0.2446      2.00000
     12       0.2895      2.00000
     13       0.4334      2.00000
     14       0.4365      2.00000
     15       0.5889      2.00000
     16       0.6302      2.00000
     17       0.7226      2.00000
     18       0.7781      2.00000
     19       0.8712      2.00000
     20       0.9385      2.00000
     21       0.9839      2.00000
     22       1.0780      2.00000
     23       1.1435      2.00000
     24       1.1779      2.00000
     25       1.2507      2.00000
     26       1.3614      2.00000
     27       1.3771      2.00000
     28       1.4959      2.00000
     29       1.6228      2.00000
     30       1.6454      2.00000
     31       1.7429      2.00000
     32       1.8788      2.00000
     33       1.8978      2.00000
     34       1.9992      2.00000
     35       2.0780      2.00000
     36       2.1769      2.00000
     37       2.2420      2.00000
     38       2.3217      2.00000
     39       2.4029      2.00000
     40       2.4755      2.00000
     41       2.5669      2.00000
     42       2.6369      2.00000
     43       2.7247      2.00000
     44       2.7666      2.00000
     45       2.8208      2.00000
     46       2.8521      2.00000
     47       2.9322      2.00000
     48       3.0217      2.00000
     49       3.0764      2.00000
     50       3.1443      2.00000
     51       3.2269      2.00000
     52       3.2591      2.00000
     53       3.5470      2.00000
     54       3.6731      2.00000
     55       3.7469      2.00000
     56       3.8148      2.00000
     57       4.1042      2.00000
     58       4.9340      2.00000
     59       5.0828      2.00000
     60       5.8213      2.05111
     61       6.8106     -0.00000
     62       7.1826     -0.00000
     63       7.7854     -0.00000
     64       8.6912     -0.00000
     65       8.9481     -0.00000
     66       9.1116     -0.00000
     67       9.4611     -0.00000
     68       9.6302     -0.00000
     69       9.7923     -0.00000
     70      10.9409     -0.00000
     71      11.5665      0.00000
     72      12.1374      0.00000
     73      12.3290      0.00000
     74      12.4848      0.00000
     75      13.1642      0.00000
     76      13.2993      0.00000
     77      13.7029      0.00000
     78      14.0869      0.00000
     79      14.3989      0.00000
     80      14.5407      0.00000

 k-point  17 :       0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6530      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0760      2.00000
      9      -0.2683      2.00000
     10      -0.2127      2.00000
     11       0.2607      2.00000
     12       0.4241      2.00000
     13       0.5206      2.00000
     14       0.5581      2.00000
     15       0.6766      2.00000
     16       0.7893      2.00000
     17       0.8348      2.00000
     18       0.9122      2.00000
     19       1.0017      2.00000
     20       1.0919      2.00000
     21       1.1015      2.00000
     22       1.1494      2.00000
     23       1.1992      2.00000
     24       1.2298      2.00000
     25       1.2747      2.00000
     26       1.3583      2.00000
     27       1.4945      2.00000
     28       1.5813      2.00000
     29       1.6375      2.00000
     30       1.6643      2.00000
     31       1.8195      2.00000
     32       1.8415      2.00000
     33       1.9980      2.00000
     34       2.0054      2.00000
     35       2.0687      2.00000
     36       2.1663      2.00000
     37       2.2069      2.00000
     38       2.2467      2.00000
     39       2.2995      2.00000
     40       2.3748      2.00000
     41       2.5098      2.00000
     42       2.6318      2.00000
     43       2.6584      2.00000
     44       2.7226      2.00000
     45       2.7607      2.00000
     46       2.8041      2.00000
     47       2.8367      2.00000
     48       2.9340      2.00000
     49       2.9513      2.00000
     50       3.0958      2.00000
     51       3.1203      2.00000
     52       3.2083      2.00000
     53       3.4146      2.00000
     54       3.4954      2.00000
     55       3.5889      2.00000
     56       3.6883      2.00000
     57       4.4294      2.00000
     58       4.7955      2.00000
     59       5.4373      2.00028
     60       5.9979      1.20327
     61       6.6043     -0.00031
     62       6.9367     -0.00000
     63       7.0350     -0.00000
     64       7.3353     -0.00000
     65       8.2645     -0.00000
     66       8.5047     -0.00000
     67       8.8398     -0.00000
     68       9.3307     -0.00000
     69       9.9704     -0.00000
     70      10.1808     -0.00000
     71      10.3315     -0.00000
     72      11.0815     -0.00000
     73      11.7774      0.00000
     74      12.1355      0.00000
     75      12.3150      0.00000
     76      12.9731      0.00000
     77      13.7642      0.00000
     78      13.8292      0.00000
     79      14.0927      0.00000
     80      14.2193      0.00000

 k-point  18 :       0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6083      2.00000
      8      -0.3667      2.00000
      9      -0.1433      2.00000
     10       0.0794      2.00000
     11       0.1455      2.00000
     12       0.4564      2.00000
     13       0.5639      2.00000
     14       0.6381      2.00000
     15       0.6847      2.00000
     16       0.7315      2.00000
     17       0.8920      2.00000
     18       0.9467      2.00000
     19       1.0649      2.00000
     20       1.1485      2.00000
     21       1.1788      2.00000
     22       1.2147      2.00000
     23       1.3245      2.00000
     24       1.3780      2.00000
     25       1.4692      2.00000
     26       1.5376      2.00000
     27       1.5667      2.00000
     28       1.6366      2.00000
     29       1.7161      2.00000
     30       1.7805      2.00000
     31       1.8449      2.00000
     32       1.9091      2.00000
     33       1.9432      2.00000
     34       2.0873      2.00000
     35       2.1483      2.00000
     36       2.1550      2.00000
     37       2.2525      2.00000
     38       2.2632      2.00000
     39       2.3346      2.00000
     40       2.3754      2.00000
     41       2.4176      2.00000
     42       2.5099      2.00000
     43       2.5600      2.00000
     44       2.5976      2.00000
     45       2.6177      2.00000
     46       2.6893      2.00000
     47       2.7747      2.00000
     48       2.7942      2.00000
     49       2.8792      2.00000
     50       3.0709      2.00000
     51       3.1319      2.00000
     52       3.1864      2.00000
     53       3.3678      2.00000
     54       3.5354      2.00000
     55       3.6287      2.00000
     56       3.8851      2.00000
     57       4.3702      2.00000
     58       4.7244      2.00000
     59       5.1028      2.00000
     60       5.6391      2.02084
     61       5.6945      2.04262
     62       6.2043     -0.02639
     63       6.6489     -0.00009
     64       7.0099     -0.00000
     65       7.5009     -0.00000
     66       7.8725     -0.00000
     67       8.9900     -0.00000
     68       9.6108     -0.00000
     69       9.8897     -0.00000
     70      10.0901     -0.00000
     71      10.4659     -0.00000
     72      10.7367     -0.00000
     73      11.0923     -0.00000
     74      11.6191      0.00000
     75      12.2464      0.00000
     76      12.9493      0.00000
     77      13.1926      0.00000
     78      13.9006      0.00000
     79      13.9268      0.00000
     80      14.0607      0.00000

 k-point  19 :      -0.4286   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4511      2.00000
      9      -0.1492      2.00000
     10      -0.0136      2.00000
     11       0.1305      2.00000
     12       0.5356      2.00000
     13       0.5726      2.00000
     14       0.6453      2.00000
     15       0.7568      2.00000
     16       0.8622      2.00000
     17       0.9512      2.00000
     18       0.9956      2.00000
     19       1.0501      2.00000
     20       1.1059      2.00000
     21       1.1674      2.00000
     22       1.2241      2.00000
     23       1.3158      2.00000
     24       1.3926      2.00000
     25       1.4714      2.00000
     26       1.5048      2.00000
     27       1.5492      2.00000
     28       1.5997      2.00000
     29       1.7140      2.00000
     30       1.7547      2.00000
     31       1.7936      2.00000
     32       1.8961      2.00000
     33       1.9600      2.00000
     34       1.9697      2.00000
     35       2.0564      2.00000
     36       2.1822      2.00000
     37       2.1906      2.00000
     38       2.2881      2.00000
     39       2.3330      2.00000
     40       2.3575      2.00000
     41       2.4763      2.00000
     42       2.4966      2.00000
     43       2.5881      2.00000
     44       2.6168      2.00000
     45       2.6785      2.00000
     46       2.7699      2.00000
     47       2.8010      2.00000
     48       2.8135      2.00000
     49       2.9004      2.00000
     50       3.1230      2.00000
     51       3.1777      2.00000
     52       3.2309      2.00000
     53       3.5181      2.00000
     54       3.5731      2.00000
     55       3.6873      2.00000
     56       3.8845      2.00000
     57       4.4479      2.00000
     58       4.5803      2.00000
     59       4.9783      2.00000
     60       5.4298      2.00023
     61       5.7633      2.06956
     62       5.8186      2.05375
     63       6.7167     -0.00001
     64       6.9930     -0.00000
     65       7.2894     -0.00000
     66       7.5136     -0.00000
     67       9.0233     -0.00000
     68       9.4159     -0.00000
     69      10.1138     -0.00000
     70      10.5198     -0.00000
     71      10.8555     -0.00000
     72      11.2199     -0.00000
     73      11.4061     -0.00000
     74      11.6793      0.00000
     75      12.0252      0.00000
     76      12.6580      0.00000
     77      13.4745      0.00000
     78      13.5565      0.00000
     79      14.0989      0.00000
     80      14.1455      0.00000

 k-point  20 :      -0.2857   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6145      2.00000
      7     -39.6052      2.00000
      8      -1.1388      2.00000
      9      -0.5385      2.00000
     10       0.1027      2.00000
     11       0.1268      2.00000
     12       0.5069      2.00000
     13       0.5827      2.00000
     14       0.6523      2.00000
     15       0.6875      2.00000
     16       0.7987      2.00000
     17       0.8211      2.00000
     18       0.8451      2.00000
     19       0.9355      2.00000
     20       1.0945      2.00000
     21       1.1337      2.00000
     22       1.1768      2.00000
     23       1.2047      2.00000
     24       1.3181      2.00000
     25       1.3611      2.00000
     26       1.4037      2.00000
     27       1.4440      2.00000
     28       1.5077      2.00000
     29       1.5690      2.00000
     30       1.6911      2.00000
     31       1.7401      2.00000
     32       1.8766      2.00000
     33       1.9178      2.00000
     34       1.9740      2.00000
     35       2.1189      2.00000
     36       2.1644      2.00000
     37       2.2451      2.00000
     38       2.2870      2.00000
     39       2.3534      2.00000
     40       2.4292      2.00000
     41       2.5200      2.00000
     42       2.5722      2.00000
     43       2.6625      2.00000
     44       2.6966      2.00000
     45       2.7623      2.00000
     46       2.8080      2.00000
     47       2.8537      2.00000
     48       2.9122      2.00000
     49       2.9638      2.00000
     50       3.0789      2.00000
     51       3.1228      2.00000
     52       3.2039      2.00000
     53       3.3441      2.00000
     54       3.5134      2.00000
     55       3.7043      2.00000
     56       4.1224      2.00000
     57       4.6117      2.00000
     58       4.9837      2.00000
     59       5.3643      2.00003
     60       5.6942      2.04250
     61       6.0304      0.92982
     62       6.2210     -0.04903
     63       6.6998     -0.00002
     64       7.1795     -0.00000
     65       7.6184     -0.00000
     66       8.7333     -0.00000
     67       8.9122     -0.00000
     68       9.3557     -0.00000
     69      10.4137     -0.00000
     70      10.6133     -0.00000
     71      11.0138     -0.00000
     72      11.6322      0.00000
     73      12.2306      0.00000
     74      12.5060      0.00000
     75      12.8286      0.00000
     76      13.3617      0.00000
     77      13.5900      0.00000
     78      14.0731      0.00000
     79      14.2405      0.00000
     80      14.4853      0.00000

 k-point  21 :      -0.1429   -0.3333    0.1250
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.6606      2.00000
      9      -0.8919      2.00000
     10       0.1388      2.00000
     11       0.2602      2.00000
     12       0.3103      2.00000
     13       0.3208      2.00000
     14       0.3967      2.00000
     15       0.6222      2.00000
     16       0.6419      2.00000
     17       0.6649      2.00000
     18       0.7491      2.00000
     19       0.8530      2.00000
     20       0.9332      2.00000
     21       1.0553      2.00000
     22       1.1249      2.00000
     23       1.1792      2.00000
     24       1.2181      2.00000
     25       1.2759      2.00000
     26       1.3784      2.00000
     27       1.3882      2.00000
     28       1.4690      2.00000
     29       1.5917      2.00000
     30       1.6914      2.00000
     31       1.7409      2.00000
     32       1.8462      2.00000
     33       1.8539      2.00000
     34       2.0312      2.00000
     35       2.1560      2.00000
     36       2.1931      2.00000
     37       2.2383      2.00000
     38       2.2657      2.00000
     39       2.3700      2.00000
     40       2.4491      2.00000
     41       2.5183      2.00000
     42       2.6257      2.00000
     43       2.6594      2.00000
     44       2.7776      2.00000
     45       2.8293      2.00000
     46       2.8797      2.00000
     47       2.9537      2.00000
     48       2.9855      2.00000
     49       3.1140      2.00000
     50       3.1873      2.00000
     51       3.2074      2.00000
     52       3.2941      2.00000
     53       3.4769      2.00000
     54       3.7196      2.00000
     55       3.9434      2.00000
     56       3.9675      2.00000
     57       4.1981      2.00000
     58       4.6025      2.00000
     59       5.0570      2.00000
     60       5.6532      2.02556
     61       6.7339     -0.00001
     62       7.3427     -0.00000
     63       7.6616     -0.00000
     64       8.2621     -0.00000
     65       8.4732     -0.00000
     66       8.5777     -0.00000
     67       9.0174     -0.00000
     68       9.2343     -0.00000
     69      11.3345     -0.00000
     70      12.1202      0.00000
     71      12.4220      0.00000
     72      12.6640      0.00000
     73      12.8461      0.00000
     74      13.1020      0.00000
     75      13.2942      0.00000
     76      13.5473      0.00000
     77      13.7110      0.00000
     78      13.7827      0.00000
     79      13.8878      0.00000
     80      14.0666      0.00000

 k-point  22 :       0.0000    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6617      2.00000
      9      -0.7774      2.00000
     10      -0.6076      2.00000
     11       0.0752      2.00000
     12       0.2604      2.00000
     13       0.3762      2.00000
     14       0.3902      2.00000
     15       0.5483      2.00000
     16       0.6290      2.00000
     17       0.7365      2.00000
     18       0.7390      2.00000
     19       0.8344      2.00000
     20       0.8893      2.00000
     21       0.9210      2.00000
     22       1.0474      2.00000
     23       1.0979      2.00000
     24       1.1329      2.00000
     25       1.2351      2.00000
     26       1.3261      2.00000
     27       1.3529      2.00000
     28       1.4889      2.00000
     29       1.6096      2.00000
     30       1.6178      2.00000
     31       1.7820      2.00000
     32       1.8998      2.00000
     33       1.9086      2.00000
     34       2.0937      2.00000
     35       2.1484      2.00000
     36       2.2302      2.00000
     37       2.3515      2.00000
     38       2.4425      2.00000
     39       2.4639      2.00000
     40       2.4709      2.00000
     41       2.5386      2.00000
     42       2.6178      2.00000
     43       2.6821      2.00000
     44       2.6839      2.00000
     45       2.8161      2.00000
     46       2.8709      2.00000
     47       2.9589      2.00000
     48       2.9804      2.00000
     49       3.1503      2.00000
     50       3.2339      2.00000
     51       3.3187      2.00000
     52       3.3376      2.00000
     53       3.4417      2.00000
     54       3.5346      2.00000
     55       3.7208      2.00000
     56       3.7570      2.00000
     57       3.9937      2.00000
     58       4.2028      2.00000
     59       5.8139      2.05778
     60       7.2665     -0.00000
     61       7.4264     -0.00000
     62       7.4661     -0.00000
     63       7.7526     -0.00000
     64       8.2268     -0.00000
     65       8.7234     -0.00000
     66       9.2640     -0.00000
     67       9.8767     -0.00000
     68      10.4892     -0.00000
     69      10.6588     -0.00000
     70      11.2314     -0.00000
     71      11.2699     -0.00000
     72      11.4361     -0.00000
     73      12.3998      0.00000
     74      12.9911      0.00000
     75      13.1410      0.00000
     76      13.1953      0.00000
     77      13.4195      0.00000
     78      13.8953      0.00000
     79      13.9178      0.00000
     80      14.5957      0.00000

 k-point  23 :       0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9101      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3938      2.00000
      9      -0.7706      2.00000
     10      -0.4146      2.00000
     11       0.1142      2.00000
     12       0.1905      2.00000
     13       0.4704      2.00000
     14       0.5370      2.00000
     15       0.6239      2.00000
     16       0.6417      2.00000
     17       0.7441      2.00000
     18       0.7584      2.00000
     19       0.9166      2.00000
     20       0.9566      2.00000
     21       0.9900      2.00000
     22       0.9937      2.00000
     23       1.1014      2.00000
     24       1.1671      2.00000
     25       1.1907      2.00000
     26       1.3345      2.00000
     27       1.3548      2.00000
     28       1.5599      2.00000
     29       1.6149      2.00000
     30       1.7310      2.00000
     31       1.7720      2.00000
     32       1.8249      2.00000
     33       1.9624      2.00000
     34       2.0208      2.00000
     35       2.0521      2.00000
     36       2.1537      2.00000
     37       2.2774      2.00000
     38       2.2814      2.00000
     39       2.3652      2.00000
     40       2.5164      2.00000
     41       2.5550      2.00000
     42       2.6435      2.00000
     43       2.7095      2.00000
     44       2.7416      2.00000
     45       2.8020      2.00000
     46       2.8956      2.00000
     47       2.9232      2.00000
     48       3.0134      2.00000
     49       3.1081      2.00000
     50       3.1603      2.00000
     51       3.2209      2.00000
     52       3.3485      2.00000
     53       3.3722      2.00000
     54       3.5656      2.00000
     55       3.7868      2.00000
     56       3.8435      2.00000
     57       3.9910      2.00000
     58       4.2361      2.00000
     59       6.2156     -0.04281
     60       6.5046     -0.00339
     61       7.3896     -0.00000
     62       7.7798     -0.00000
     63       7.8946     -0.00000
     64       8.3563     -0.00000
     65       8.5506     -0.00000
     66       8.8092     -0.00000
     67       8.8315     -0.00000
     68       9.6376     -0.00000
     69      10.2155     -0.00000
     70      10.6326     -0.00000
     71      10.7738     -0.00000
     72      11.1212     -0.00000
     73      11.9641      0.00000
     74      12.2991      0.00000
     75      12.6537      0.00000
     76      13.1704      0.00000
     77      13.6194      0.00000
     78      13.9348      0.00000
     79      14.2820      0.00000
     80      14.6721      0.00000

 k-point  24 :       0.2857    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6532      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.9064      2.00000
      9      -0.3834      2.00000
     10      -0.0424      2.00000
     11       0.0602      2.00000
     12       0.4420      2.00000
     13       0.4964      2.00000
     14       0.5965      2.00000
     15       0.6953      2.00000
     16       0.7527      2.00000
     17       0.7582      2.00000
     18       0.8275      2.00000
     19       0.8862      2.00000
     20       1.0037      2.00000
     21       1.0379      2.00000
     22       1.1589      2.00000
     23       1.2353      2.00000
     24       1.2895      2.00000
     25       1.3755      2.00000
     26       1.4178      2.00000
     27       1.4932      2.00000
     28       1.6118      2.00000
     29       1.6551      2.00000
     30       1.7151      2.00000
     31       1.7905      2.00000
     32       1.8411      2.00000
     33       1.9289      2.00000
     34       1.9799      2.00000
     35       2.0302      2.00000
     36       2.0777      2.00000
     37       2.2211      2.00000
     38       2.2555      2.00000
     39       2.2900      2.00000
     40       2.4072      2.00000
     41       2.5561      2.00000
     42       2.6266      2.00000
     43       2.6380      2.00000
     44       2.7093      2.00000
     45       2.7409      2.00000
     46       2.8338      2.00000
     47       2.8652      2.00000
     48       2.9070      2.00000
     49       2.9351      2.00000
     50       3.0354      2.00000
     51       3.1354      2.00000
     52       3.3069      2.00000
     53       3.3403      2.00000
     54       3.4904      2.00000
     55       3.5737      2.00000
     56       3.7511      2.00000
     57       4.4217      2.00000
     58       5.2193      2.00000
     59       5.2915      2.00000
     60       5.9572      1.51890
     61       7.0514     -0.00000
     62       7.1839     -0.00000
     63       7.3426     -0.00000
     64       7.4481     -0.00000
     65       8.1700     -0.00000
     66       8.4094     -0.00000
     67       8.6177     -0.00000
     68       9.0638     -0.00000
     69       9.3373     -0.00000
     70       9.8342     -0.00000
     71      10.7603     -0.00000
     72      10.9648     -0.00000
     73      11.2772     -0.00000
     74      11.5932      0.00000
     75      12.5278      0.00000
     76      13.0840      0.00000
     77      13.4241      0.00000
     78      13.6702      0.00000
     79      13.9152      0.00000
     80      14.1191      0.00000

 k-point  25 :       0.4286    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3900      2.00000
      9      -0.0765      2.00000
     10       0.1009      2.00000
     11       0.1589      2.00000
     12       0.4565      2.00000
     13       0.4928      2.00000
     14       0.5510      2.00000
     15       0.6707      2.00000
     16       0.7829      2.00000
     17       0.9108      2.00000
     18       0.9409      2.00000
     19       1.1136      2.00000
     20       1.1679      2.00000
     21       1.2149      2.00000
     22       1.2395      2.00000
     23       1.3305      2.00000
     24       1.4109      2.00000
     25       1.4415      2.00000
     26       1.4855      2.00000
     27       1.5622      2.00000
     28       1.6209      2.00000
     29       1.6609      2.00000
     30       1.7160      2.00000
     31       1.8320      2.00000
     32       1.9145      2.00000
     33       1.9615      2.00000
     34       2.0353      2.00000
     35       2.1075      2.00000
     36       2.1221      2.00000
     37       2.2048      2.00000
     38       2.2988      2.00000
     39       2.3129      2.00000
     40       2.3590      2.00000
     41       2.4696      2.00000
     42       2.5334      2.00000
     43       2.5565      2.00000
     44       2.6267      2.00000
     45       2.6958      2.00000
     46       2.7388      2.00000
     47       2.8173      2.00000
     48       2.8364      2.00000
     49       2.9525      2.00000
     50       3.0720      2.00000
     51       3.1823      2.00000
     52       3.2852      2.00000
     53       3.3395      2.00000
     54       3.4693      2.00000
     55       3.5899      2.00000
     56       3.7921      2.00000
     57       4.0918      2.00000
     58       4.3014      2.00000
     59       5.4710      2.00068
     60       5.8626      1.97903
     61       6.0255      0.97199
     62       6.3416     -0.04639
     63       6.7291     -0.00001
     64       7.1188     -0.00000
     65       7.6023     -0.00000
     66       8.0693     -0.00000
     67       8.3387     -0.00000
     68       8.9323     -0.00000
     69       9.4480     -0.00000
     70      10.2309     -0.00000
     71      10.4146     -0.00000
     72      10.5711     -0.00000
     73      11.3181     -0.00000
     74      11.8259      0.00000
     75      12.1577      0.00000
     76      12.9324      0.00000
     77      13.0192      0.00000
     78      13.6890      0.00000
     79      14.0096      0.00000
     80      14.6495      0.00000

 k-point  26 :      -0.4286   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6529      2.00000
      5     -39.6529      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4463      2.00000
      9      -0.1496      2.00000
     10       0.0477      2.00000
     11       0.1330      2.00000
     12       0.4971      2.00000
     13       0.5315      2.00000
     14       0.6308      2.00000
     15       0.7158      2.00000
     16       0.8970      2.00000
     17       0.9213      2.00000
     18       1.0354      2.00000
     19       1.0743      2.00000
     20       1.1374      2.00000
     21       1.1800      2.00000
     22       1.2531      2.00000
     23       1.2960      2.00000
     24       1.3923      2.00000
     25       1.4114      2.00000
     26       1.4596      2.00000
     27       1.5090      2.00000
     28       1.6602      2.00000
     29       1.6961      2.00000
     30       1.7405      2.00000
     31       1.7947      2.00000
     32       1.8736      2.00000
     33       1.9155      2.00000
     34       2.0102      2.00000
     35       2.0809      2.00000
     36       2.1871      2.00000
     37       2.2122      2.00000
     38       2.2875      2.00000
     39       2.3512      2.00000
     40       2.3725      2.00000
     41       2.4541      2.00000
     42       2.5052      2.00000
     43       2.5527      2.00000
     44       2.6544      2.00000
     45       2.6906      2.00000
     46       2.7414      2.00000
     47       2.8157      2.00000
     48       2.8842      2.00000
     49       2.9049      2.00000
     50       3.1106      2.00000
     51       3.1652      2.00000
     52       3.2513      2.00000
     53       3.4763      2.00000
     54       3.5659      2.00000
     55       3.6044      2.00000
     56       3.9000      2.00000
     57       4.3461      2.00000
     58       4.8601      2.00000
     59       5.0060      2.00000
     60       5.2098      2.00000
     61       5.6165      2.01459
     62       5.8159      2.05614
     63       6.7194     -0.00001
     64       7.1873     -0.00000
     65       7.6947     -0.00000
     66       7.8729     -0.00000
     67       8.7039     -0.00000
     68       9.5017     -0.00000
     69       9.9545     -0.00000
     70      10.1358     -0.00000
     71      10.4732     -0.00000
     72      10.5912     -0.00000
     73      11.1524     -0.00000
     74      11.8230      0.00000
     75      12.2320      0.00000
     76      12.7474      0.00000
     77      13.5947      0.00000
     78      14.0658      0.00000
     79      14.3292      0.00000
     80      14.4569      0.00000

 k-point  27 :      -0.2857   -0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0797      2.00000
      9      -0.3710      2.00000
     10      -0.1172      2.00000
     11       0.2722      2.00000
     12       0.4368      2.00000
     13       0.5099      2.00000
     14       0.5428      2.00000
     15       0.6799      2.00000
     16       0.7857      2.00000
     17       0.8410      2.00000
     18       0.9190      2.00000
     19       0.9482      2.00000
     20       1.0544      2.00000
     21       1.0826      2.00000
     22       1.1698      2.00000
     23       1.2193      2.00000
     24       1.2665      2.00000
     25       1.3219      2.00000
     26       1.4136      2.00000
     27       1.4544      2.00000
     28       1.5516      2.00000
     29       1.6102      2.00000
     30       1.7731      2.00000
     31       1.8212      2.00000
     32       1.8445      2.00000
     33       1.9665      2.00000
     34       1.9964      2.00000
     35       2.0576      2.00000
     36       2.1059      2.00000
     37       2.1336      2.00000
     38       2.2077      2.00000
     39       2.3319      2.00000
     40       2.4312      2.00000
     41       2.4741      2.00000
     42       2.6080      2.00000
     43       2.6530      2.00000
     44       2.6858      2.00000
     45       2.7889      2.00000
     46       2.8182      2.00000
     47       2.8733      2.00000
     48       2.9231      2.00000
     49       2.9769      2.00000
     50       3.0840      2.00000
     51       3.1310      2.00000
     52       3.2374      2.00000
     53       3.3228      2.00000
     54       3.4500      2.00000
     55       3.6272      2.00000
     56       4.0790      2.00000
     57       4.2835      2.00000
     58       5.1825      2.00000
     59       5.7486      2.06576
     60       5.9304      1.69342
     61       6.1192      0.27603
     62       6.5364     -0.00167
     63       6.7807     -0.00000
     64       7.2724     -0.00000
     65       7.6570     -0.00000
     66       8.3401     -0.00000
     67       9.3953     -0.00000
     68       9.5412     -0.00000
     69       9.9831     -0.00000
     70      10.1690     -0.00000
     71      11.3525     -0.00000
     72      11.5030      0.00000
     73      11.7690      0.00000
     74      11.9600      0.00000
     75      12.2793      0.00000
     76      12.7742      0.00000
     77      13.3516      0.00000
     78      13.6914      0.00000
     79      13.8298      0.00000
     80      14.2011      0.00000

 k-point  28 :      -0.1429    0.0000    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6530      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.5563      2.00000
      9      -0.5572      2.00000
     10      -0.4667      2.00000
     11       0.2089      2.00000
     12       0.2335      2.00000
     13       0.4707      2.00000
     14       0.5244      2.00000
     15       0.5936      2.00000
     16       0.6302      2.00000
     17       0.6710      2.00000
     18       0.7944      2.00000
     19       0.9015      2.00000
     20       0.9461      2.00000
     21       0.9891      2.00000
     22       1.0109      2.00000
     23       1.1194      2.00000
     24       1.1627      2.00000
     25       1.2185      2.00000
     26       1.3859      2.00000
     27       1.4343      2.00000
     28       1.4882      2.00000
     29       1.5979      2.00000
     30       1.6415      2.00000
     31       1.7266      2.00000
     32       1.8713      2.00000
     33       1.8909      2.00000
     34       2.0163      2.00000
     35       2.1065      2.00000
     36       2.2071      2.00000
     37       2.2721      2.00000
     38       2.3451      2.00000
     39       2.3709      2.00000
     40       2.4405      2.00000
     41       2.5891      2.00000
     42       2.6772      2.00000
     43       2.7076      2.00000
     44       2.7381      2.00000
     45       2.8408      2.00000
     46       2.8660      2.00000
     47       2.8942      2.00000
     48       3.0573      2.00000
     49       3.0918      2.00000
     50       3.1697      2.00000
     51       3.2291      2.00000
     52       3.2346      2.00000
     53       3.5315      2.00000
     54       3.6198      2.00000
     55       3.6558      2.00000
     56       3.8545      2.00000
     57       3.9793      2.00000
     58       4.4818      2.00000
     59       5.6790      2.03574
     60       6.3661     -0.03537
     61       6.7049     -0.00002
     62       7.5014     -0.00000
     63       7.9844     -0.00000
     64       8.6896     -0.00000
     65       8.8835     -0.00000
     66       9.2101     -0.00000
     67       9.3685     -0.00000
     68       9.4733     -0.00000
     69       9.7952     -0.00000
     70      10.5181     -0.00000
     71      11.1867     -0.00000
     72      11.5461      0.00000
     73      12.0697      0.00000
     74      12.2528      0.00000
     75      13.0253      0.00000
     76      13.2530      0.00000
     77      13.2975      0.00000
     78      13.8573      0.00000
     79      14.5985      0.00000
     80      14.6730      0.00000

 k-point  29 :      -0.0000    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6132      2.00000
      9      -0.8273      2.00000
     10      -0.5754      2.00000
     11       0.0732      2.00000
     12       0.1495      2.00000
     13       0.3602      2.00000
     14       0.3915      2.00000
     15       0.5466      2.00000
     16       0.6407      2.00000
     17       0.7609      2.00000
     18       0.7867      2.00000
     19       0.8698      2.00000
     20       0.8752      2.00000
     21       0.9195      2.00000
     22       1.0172      2.00000
     23       1.0269      2.00000
     24       1.0755      2.00000
     25       1.2544      2.00000
     26       1.3108      2.00000
     27       1.3785      2.00000
     28       1.4804      2.00000
     29       1.6270      2.00000
     30       1.6722      2.00000
     31       1.7620      2.00000
     32       1.8385      2.00000
     33       1.9566      2.00000
     34       2.0134      2.00000
     35       2.1711      2.00000
     36       2.2049      2.00000
     37       2.3336      2.00000
     38       2.4323      2.00000
     39       2.4641      2.00000
     40       2.4734      2.00000
     41       2.5134      2.00000
     42       2.6289      2.00000
     43       2.6396      2.00000
     44       2.6612      2.00000
     45       2.8299      2.00000
     46       2.8394      2.00000
     47       2.9511      2.00000
     48       2.9533      2.00000
     49       2.9822      2.00000
     50       3.1959      2.00000
     51       3.2588      2.00000
     52       3.4591      2.00000
     53       3.5520      2.00000
     54       3.6594      2.00000
     55       3.9715      2.00000
     56       4.0604      2.00000
     57       4.2152      2.00000
     58       4.6009      2.00000
     59       5.8702      1.95804
     60       6.1140      0.30639
     61       6.6585     -0.00007
     62       7.3679     -0.00000
     63       8.0075     -0.00000
     64       8.2586     -0.00000
     65       8.6437     -0.00000
     66       9.1058     -0.00000
     67       9.1698     -0.00000
     68      10.9013     -0.00000
     69      11.4458     -0.00000
     70      11.6392      0.00000
     71      11.9580      0.00000
     72      12.3533      0.00000
     73      12.6299      0.00000
     74      13.1780      0.00000
     75      13.2107      0.00000
     76      13.3703      0.00000
     77      13.4068      0.00000
     78      13.8342      0.00000
     79      13.8522      0.00000
     80      14.0970      0.00000

 k-point  30 :       0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6535      2.00000
      5     -39.6528      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3570      2.00000
      9      -0.6670      2.00000
     10      -0.5428      2.00000
     11       0.0536      2.00000
     12       0.1869      2.00000
     13       0.4665      2.00000
     14       0.5565      2.00000
     15       0.6218      2.00000
     16       0.6344      2.00000
     17       0.7475      2.00000
     18       0.7907      2.00000
     19       0.9128      2.00000
     20       0.9235      2.00000
     21       0.9493      2.00000
     22       0.9821      2.00000
     23       1.0977      2.00000
     24       1.1235      2.00000
     25       1.1808      2.00000
     26       1.3702      2.00000
     27       1.4334      2.00000
     28       1.5992      2.00000
     29       1.6157      2.00000
     30       1.6805      2.00000
     31       1.7214      2.00000
     32       1.7717      2.00000
     33       1.9390      2.00000
     34       2.0205      2.00000
     35       2.0809      2.00000
     36       2.1908      2.00000
     37       2.2133      2.00000
     38       2.2857      2.00000
     39       2.4590      2.00000
     40       2.4821      2.00000
     41       2.5425      2.00000
     42       2.6440      2.00000
     43       2.6860      2.00000
     44       2.7299      2.00000
     45       2.7514      2.00000
     46       2.8468      2.00000
     47       2.8856      2.00000
     48       2.9872      2.00000
     49       3.0671      2.00000
     50       3.1446      2.00000
     51       3.1686      2.00000
     52       3.3184      2.00000
     53       3.4411      2.00000
     54       3.5229      2.00000
     55       3.7687      2.00000
     56       3.8990      2.00000
     57       5.0212      2.00000
     58       5.1263      2.00000
     59       5.6065      2.01232
     60       6.0461      0.79852
     61       6.8613     -0.00000
     62       7.3594     -0.00000
     63       7.5115     -0.00000
     64       7.7050     -0.00000
     65       8.1194     -0.00000
     66       8.2701     -0.00000
     67       9.9365     -0.00000
     68      10.3828     -0.00000
     69      10.5521     -0.00000
     70      10.9937     -0.00000
     71      11.1630     -0.00000
     72      11.6667      0.00000
     73      12.3349      0.00000
     74      12.4679      0.00000
     75      12.9985      0.00000
     76      13.1751      0.00000
     77      13.6557      0.00000
     78      13.7951      0.00000
     79      14.0960      0.00000
     80      14.3634      0.00000

 k-point  31 :       0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6532      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.8985      2.00000
      9      -0.3668      2.00000
     10      -0.0514      2.00000
     11       0.0274      2.00000
     12       0.4692      2.00000
     13       0.4968      2.00000
     14       0.5800      2.00000
     15       0.6990      2.00000
     16       0.7346      2.00000
     17       0.7725      2.00000
     18       0.8299      2.00000
     19       0.8791      2.00000
     20       1.0001      2.00000
     21       1.0268      2.00000
     22       1.1376      2.00000
     23       1.2399      2.00000
     24       1.3382      2.00000
     25       1.3868      2.00000
     26       1.4588      2.00000
     27       1.5155      2.00000
     28       1.5560      2.00000
     29       1.5923      2.00000
     30       1.7516      2.00000
     31       1.8036      2.00000
     32       1.8733      2.00000
     33       1.9147      2.00000
     34       1.9684      2.00000
     35       2.0193      2.00000
     36       2.1347      2.00000
     37       2.1917      2.00000
     38       2.2310      2.00000
     39       2.2587      2.00000
     40       2.3303      2.00000
     41       2.5605      2.00000
     42       2.6136      2.00000
     43       2.6588      2.00000
     44       2.7252      2.00000
     45       2.7355      2.00000
     46       2.8491      2.00000
     47       2.8726      2.00000
     48       2.9140      2.00000
     49       2.9663      2.00000
     50       3.0491      2.00000
     51       3.1382      2.00000
     52       3.2774      2.00000
     53       3.3502      2.00000
     54       3.4181      2.00000
     55       3.5051      2.00000
     56       3.7156      2.00000
     57       4.7036      2.00000
     58       5.3880      2.00007
     59       5.6353      2.01966
     60       5.8420      2.02307
     61       6.6921     -0.00002
     62       6.9428     -0.00000
     63       7.1052     -0.00000
     64       7.2439     -0.00000
     65       8.5073     -0.00000
     66       8.5846     -0.00000
     67       8.7056     -0.00000
     68       8.9099     -0.00000
     69       9.2540     -0.00000
     70       9.6791     -0.00000
     71      10.8899     -0.00000
     72      11.0829     -0.00000
     73      11.2594     -0.00000
     74      11.7839      0.00000
     75      12.7539      0.00000
     76      13.0106      0.00000
     77      13.5350      0.00000
     78      13.7571      0.00000
     79      14.0102      0.00000
     80      14.4017      0.00000

 k-point  32 :       0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3670      2.00000
      9      -0.1220      2.00000
     10       0.0992      2.00000
     11       0.1736      2.00000
     12       0.4639      2.00000
     13       0.5305      2.00000
     14       0.5907      2.00000
     15       0.6355      2.00000
     16       0.7438      2.00000
     17       0.9029      2.00000
     18       0.9498      2.00000
     19       1.0651      2.00000
     20       1.1540      2.00000
     21       1.1935      2.00000
     22       1.2415      2.00000
     23       1.3178      2.00000
     24       1.3945      2.00000
     25       1.4830      2.00000
     26       1.5160      2.00000
     27       1.5414      2.00000
     28       1.6240      2.00000
     29       1.7183      2.00000
     30       1.7391      2.00000
     31       1.8386      2.00000
     32       1.9093      2.00000
     33       1.9736      2.00000
     34       2.0437      2.00000
     35       2.1102      2.00000
     36       2.1764      2.00000
     37       2.2589      2.00000
     38       2.3072      2.00000
     39       2.3213      2.00000
     40       2.3839      2.00000
     41       2.4304      2.00000
     42       2.5171      2.00000
     43       2.5643      2.00000
     44       2.5859      2.00000
     45       2.6383      2.00000
     46       2.7037      2.00000
     47       2.7589      2.00000
     48       2.8093      2.00000
     49       2.9587      2.00000
     50       3.0470      2.00000
     51       3.1416      2.00000
     52       3.1837      2.00000
     53       3.3345      2.00000
     54       3.5368      2.00000
     55       3.6011      2.00000
     56       3.9580      2.00000
     57       4.1955      2.00000
     58       4.4161      2.00000
     59       5.2816      2.00000
     60       5.8360      2.03277
     61       5.9584      1.51052
     62       6.2652     -0.07089
     63       6.4685     -0.00705
     64       7.0017     -0.00000
     65       7.8656     -0.00000
     66       8.0269     -0.00000
     67       8.8299     -0.00000
     68       9.1443     -0.00000
     69       9.7284     -0.00000
     70       9.8693     -0.00000
     71      10.3744     -0.00000
     72      10.5786     -0.00000
     73      10.9595     -0.00000
     74      11.8556      0.00000
     75      12.4459      0.00000
     76      12.6151      0.00000
     77      13.3429      0.00000
     78      13.7201      0.00000
     79      14.3674      0.00000
     80      14.4573      0.00000

 k-point  33 :      -0.4286    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4387      2.00000
      9      -0.1387      2.00000
     10      -0.0179      2.00000
     11       0.1316      2.00000
     12       0.5467      2.00000
     13       0.5910      2.00000
     14       0.6439      2.00000
     15       0.7795      2.00000
     16       0.8045      2.00000
     17       0.9238      2.00000
     18       0.9656      2.00000
     19       1.0477      2.00000
     20       1.1099      2.00000
     21       1.1521      2.00000
     22       1.2414      2.00000
     23       1.3392      2.00000
     24       1.3879      2.00000
     25       1.4101      2.00000
     26       1.4903      2.00000
     27       1.5934      2.00000
     28       1.6692      2.00000
     29       1.7236      2.00000
     30       1.7676      2.00000
     31       1.8213      2.00000
     32       1.8865      2.00000
     33       1.8999      2.00000
     34       2.0051      2.00000
     35       2.1256      2.00000
     36       2.1821      2.00000
     37       2.2218      2.00000
     38       2.2445      2.00000
     39       2.3073      2.00000
     40       2.3997      2.00000
     41       2.4561      2.00000
     42       2.4907      2.00000
     43       2.5570      2.00000
     44       2.6212      2.00000
     45       2.6453      2.00000
     46       2.7306      2.00000
     47       2.7739      2.00000
     48       2.8236      2.00000
     49       2.8785      2.00000
     50       3.1363      2.00000
     51       3.1449      2.00000
     52       3.3449      2.00000
     53       3.4740      2.00000
     54       3.5781      2.00000
     55       3.6110      2.00000
     56       3.7817      2.00000
     57       4.3654      2.00000
     58       4.5640      2.00000
     59       5.1245      2.00000
     60       5.6249      2.01672
     61       5.7659      2.07001
     62       6.4005     -0.02234
     63       6.4992     -0.00381
     64       6.8355     -0.00000
     65       7.0041     -0.00000
     66       7.3805     -0.00000
     67       9.1056     -0.00000
     68       9.3584     -0.00000
     69      10.2488     -0.00000
     70      10.5557     -0.00000
     71      10.9211     -0.00000
     72      11.4054     -0.00000
     73      11.5663      0.00000
     74      11.8346      0.00000
     75      12.1760      0.00000
     76      12.6650      0.00000
     77      12.9310      0.00000
     78      13.1080      0.00000
     79      13.9089      0.00000
     80      14.2254      0.00000

 k-point  34 :      -0.2857    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.1079      2.00000
      9      -0.3086      2.00000
     10      -0.1721      2.00000
     11       0.2354      2.00000
     12       0.4807      2.00000
     13       0.5447      2.00000
     14       0.5759      2.00000
     15       0.6539      2.00000
     16       0.7722      2.00000
     17       0.8579      2.00000
     18       0.9298      2.00000
     19       1.0179      2.00000
     20       1.0921      2.00000
     21       1.1206      2.00000
     22       1.1689      2.00000
     23       1.1920      2.00000
     24       1.2246      2.00000
     25       1.2526      2.00000
     26       1.3565      2.00000
     27       1.4838      2.00000
     28       1.5521      2.00000
     29       1.6397      2.00000
     30       1.6872      2.00000
     31       1.7942      2.00000
     32       1.8410      2.00000
     33       1.9696      2.00000
     34       2.0399      2.00000
     35       2.1023      2.00000
     36       2.1644      2.00000
     37       2.2197      2.00000
     38       2.2469      2.00000
     39       2.3030      2.00000
     40       2.3397      2.00000
     41       2.5280      2.00000
     42       2.6228      2.00000
     43       2.6466      2.00000
     44       2.7234      2.00000
     45       2.7369      2.00000
     46       2.7812      2.00000
     47       2.8185      2.00000
     48       2.9406      2.00000
     49       2.9988      2.00000
     50       3.0652      2.00000
     51       3.1404      2.00000
     52       3.2045      2.00000
     53       3.4278      2.00000
     54       3.4669      2.00000
     55       3.5709      2.00000
     56       3.7210      2.00000
     57       4.5338      2.00000
     58       4.7915      2.00000
     59       5.4140      2.00015
     60       5.9634      1.47387
     61       6.4795     -0.00569
     62       6.8151     -0.00000
     63       7.0858     -0.00000
     64       7.3934     -0.00000
     65       8.0628     -0.00000
     66       8.6722     -0.00000
     67       8.7640     -0.00000
     68       9.3229     -0.00000
     69       9.8352     -0.00000
     70       9.9214     -0.00000
     71      10.6701     -0.00000
     72      11.1756     -0.00000
     73      11.8791      0.00000
     74      12.1887      0.00000
     75      12.6684      0.00000
     76      13.2288      0.00000
     77      13.9618      0.00000
     78      14.0376      0.00000
     79      14.3619      0.00000
     80      14.4141      0.00000

 k-point  35 :      -0.1429    0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9165      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6030      2.00000
      8      -1.5488      2.00000
      9      -0.6248      2.00000
     10      -0.3865      2.00000
     11       0.1890      2.00000
     12       0.2317      2.00000
     13       0.4352      2.00000
     14       0.5242      2.00000
     15       0.5837      2.00000
     16       0.6309      2.00000
     17       0.6913      2.00000
     18       0.8060      2.00000
     19       0.9143      2.00000
     20       0.9436      2.00000
     21       0.9831      2.00000
     22       1.0462      2.00000
     23       1.1314      2.00000
     24       1.1604      2.00000
     25       1.2510      2.00000
     26       1.2717      2.00000
     27       1.3845      2.00000
     28       1.5923      2.00000
     29       1.6438      2.00000
     30       1.7064      2.00000
     31       1.7593      2.00000
     32       1.8205      2.00000
     33       1.8717      2.00000
     34       1.9925      2.00000
     35       2.0365      2.00000
     36       2.1249      2.00000
     37       2.3103      2.00000
     38       2.3452      2.00000
     39       2.4454      2.00000
     40       2.5165      2.00000
     41       2.5302      2.00000
     42       2.6106      2.00000
     43       2.6753      2.00000
     44       2.7007      2.00000
     45       2.7944      2.00000
     46       2.8465      2.00000
     47       2.9049      2.00000
     48       3.0512      2.00000
     49       3.0939      2.00000
     50       3.2119      2.00000
     51       3.2305      2.00000
     52       3.2982      2.00000
     53       3.4038      2.00000
     54       3.5906      2.00000
     55       3.8008      2.00000
     56       3.8180      2.00000
     57       3.9774      2.00000
     58       4.7579      2.00000
     59       5.6607      2.02831
     60       6.5630     -0.00089
     61       6.8578     -0.00000
     62       7.4473     -0.00000
     63       7.8250     -0.00000
     64       7.8752     -0.00000
     65       8.4223     -0.00000
     66       9.0520     -0.00000
     67       9.2271     -0.00000
     68       9.9847     -0.00000
     69      10.4703     -0.00000
     70      10.7305     -0.00000
     71      11.1430     -0.00000
     72      11.4822      0.00000
     73      12.1468      0.00000
     74      12.6662      0.00000
     75      12.9968      0.00000
     76      13.3613      0.00000
     77      13.5065      0.00000
     78      13.9022      0.00000
     79      14.3272      0.00000
     80      14.5502      0.00000

 k-point  36 :       0.0000   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9168      2.00000
      2     -39.9097      2.00000
      3     -39.7748      2.00000
      4     -39.6536      2.00000
      5     -39.6529      2.00000
      6     -39.6172      2.00000
      7     -39.6022      2.00000
      8      -1.6069      2.00000
      9      -0.7833      2.00000
     10      -0.6602      2.00000
     11       0.0671      2.00000
     12       0.1913      2.00000
     13       0.3562      2.00000
     14       0.3895      2.00000
     15       0.5647      2.00000
     16       0.6133      2.00000
     17       0.7240      2.00000
     18       0.7841      2.00000
     19       0.8469      2.00000
     20       0.9074      2.00000
     21       0.9251      2.00000
     22       1.0666      2.00000
     23       1.1106      2.00000
     24       1.1507      2.00000
     25       1.2475      2.00000
     26       1.2620      2.00000
     27       1.2726      2.00000
     28       1.4694      2.00000
     29       1.6076      2.00000
     30       1.6222      2.00000
     31       1.7524      2.00000
     32       1.7878      2.00000
     33       1.9134      2.00000
     34       2.1295      2.00000
     35       2.1566      2.00000
     36       2.3492      2.00000
     37       2.3561      2.00000
     38       2.3944      2.00000
     39       2.4438      2.00000
     40       2.4699      2.00000
     41       2.5391      2.00000
     42       2.6340      2.00000
     43       2.6711      2.00000
     44       2.7315      2.00000
     45       2.8021      2.00000
     46       2.8466      2.00000
     47       2.9008      2.00000
     48       2.9381      2.00000
     49       3.0419      2.00000
     50       3.1825      2.00000
     51       3.2326      2.00000
     52       3.3970      2.00000
     53       3.5921      2.00000
     54       3.6472      2.00000
     55       3.9637      2.00000
     56       4.0601      2.00000
     57       4.2343      2.00000
     58       4.4525      2.00000
     59       5.6753      2.03418
     60       6.2407     -0.06454
     61       6.6949     -0.00002
     62       7.5179     -0.00000
     63       7.8893     -0.00000
     64       8.1525     -0.00000
     65       8.8094     -0.00000
     66       9.3827     -0.00000
     67       9.5726     -0.00000
     68      10.7308     -0.00000
     69      10.9061     -0.00000
     70      11.4843      0.00000
     71      11.9850      0.00000
     72      12.0804      0.00000
     73      12.5146      0.00000
     74      12.8989      0.00000
     75      13.0116      0.00000
     76      13.2906      0.00000
     77      13.4460      0.00000
     78      13.9062      0.00000
     79      14.0654      0.00000
     80      14.3456      0.00000

 k-point  37 :       0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9101      2.00000
      3     -39.7747      2.00000
      4     -39.6534      2.00000
      5     -39.6529      2.00000
      6     -39.6166      2.00000
      7     -39.6029      2.00000
      8      -1.3888      2.00000
      9      -0.7304      2.00000
     10      -0.4753      2.00000
     11       0.1182      2.00000
     12       0.1868      2.00000
     13       0.4787      2.00000
     14       0.5483      2.00000
     15       0.6293      2.00000
     16       0.6352      2.00000
     17       0.7480      2.00000
     18       0.7690      2.00000
     19       0.9298      2.00000
     20       0.9334      2.00000
     21       0.9518      2.00000
     22       0.9807      2.00000
     23       1.1194      2.00000
     24       1.1621      2.00000
     25       1.1853      2.00000
     26       1.3697      2.00000
     27       1.3838      2.00000
     28       1.5185      2.00000
     29       1.6175      2.00000
     30       1.6338      2.00000
     31       1.7929      2.00000
     32       1.8454      2.00000
     33       1.9641      2.00000
     34       1.9916      2.00000
     35       2.1683      2.00000
     36       2.2019      2.00000
     37       2.2236      2.00000
     38       2.2600      2.00000
     39       2.3124      2.00000
     40       2.5368      2.00000
     41       2.5790      2.00000
     42       2.6236      2.00000
     43       2.6978      2.00000
     44       2.7436      2.00000
     45       2.8174      2.00000
     46       2.8996      2.00000
     47       2.9582      2.00000
     48       3.0050      2.00000
     49       3.1177      2.00000
     50       3.1600      2.00000
     51       3.1996      2.00000
     52       3.3132      2.00000
     53       3.4018      2.00000
     54       3.5611      2.00000
     55       3.7486      2.00000
     56       3.9028      2.00000
     57       4.0394      2.00000
     58       4.2877      2.00000
     59       6.2431     -0.06573
     60       6.6613     -0.00006
     61       7.1141     -0.00000
     62       7.3107     -0.00000
     63       8.0097     -0.00000
     64       8.2319     -0.00000
     65       8.3950     -0.00000
     66       8.7939     -0.00000
     67       9.5505     -0.00000
     68       9.8212     -0.00000
     69      10.1349     -0.00000
     70      10.3490     -0.00000
     71      10.8671     -0.00000
     72      11.3455     -0.00000
     73      12.0645      0.00000
     74      12.2074      0.00000
     75      12.6343      0.00000
     76      13.1449      0.00000
     77      13.5556      0.00000
     78      13.7493      0.00000
     79      14.3225      0.00000
     80      14.6310      0.00000

 k-point  38 :       0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9110      2.00000
      3     -39.7744      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6147      2.00000
      7     -39.6051      2.00000
      8      -0.9129      2.00000
      9      -0.4510      2.00000
     10       0.0425      2.00000
     11       0.0923      2.00000
     12       0.3961      2.00000
     13       0.4977      2.00000
     14       0.6479      2.00000
     15       0.6700      2.00000
     16       0.7369      2.00000
     17       0.7796      2.00000
     18       0.8187      2.00000
     19       0.9036      2.00000
     20       1.0218      2.00000
     21       1.0464      2.00000
     22       1.1267      2.00000
     23       1.2310      2.00000
     24       1.2734      2.00000
     25       1.2964      2.00000
     26       1.3796      2.00000
     27       1.4643      2.00000
     28       1.6721      2.00000
     29       1.6978      2.00000
     30       1.7868      2.00000
     31       1.8256      2.00000
     32       1.8560      2.00000
     33       1.9140      2.00000
     34       1.9745      2.00000
     35       1.9983      2.00000
     36       2.0301      2.00000
     37       2.2425      2.00000
     38       2.2943      2.00000
     39       2.3531      2.00000
     40       2.4855      2.00000
     41       2.5205      2.00000
     42       2.5696      2.00000
     43       2.6898      2.00000
     44       2.7132      2.00000
     45       2.7435      2.00000
     46       2.7656      2.00000
     47       2.8554      2.00000
     48       2.8802      2.00000
     49       2.9154      2.00000
     50       3.0749      2.00000
     51       3.1664      2.00000
     52       3.3330      2.00000
     53       3.3473      2.00000
     54       3.5863      2.00000
     55       3.7560      2.00000
     56       3.8247      2.00000
     57       4.0299      2.00000
     58       4.6324      2.00000
     59       4.8240      2.00000
     60       6.5751     -0.00066
     61       7.0603     -0.00000
     62       7.5118     -0.00000
     63       7.6297     -0.00000
     64       7.8459     -0.00000
     65       8.0337     -0.00000
     66       8.6762     -0.00000
     67       8.9071     -0.00000
     68       9.1944     -0.00000
     69       9.5816     -0.00000
     70       9.6057     -0.00000
     71       9.7995     -0.00000
     72      10.0891     -0.00000
     73      11.4963      0.00000
     74      11.8074      0.00000
     75      11.8872      0.00000
     76      13.0020      0.00000
     77      13.3849      0.00000
     78      13.9820      0.00000
     79      14.2279      0.00000
     80      14.5714      0.00000

 k-point  39 :       0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6117      2.00000
      7     -39.6082      2.00000
      8      -0.3632      2.00000
      9      -0.1213      2.00000
     10       0.1026      2.00000
     11       0.1539      2.00000
     12       0.4189      2.00000
     13       0.5355      2.00000
     14       0.6110      2.00000
     15       0.6889      2.00000
     16       0.7679      2.00000
     17       0.8942      2.00000
     18       0.9367      2.00000
     19       1.0670      2.00000
     20       1.1200      2.00000
     21       1.1835      2.00000
     22       1.2125      2.00000
     23       1.3448      2.00000
     24       1.3921      2.00000
     25       1.4463      2.00000
     26       1.5100      2.00000
     27       1.6576      2.00000
     28       1.7010      2.00000
     29       1.7180      2.00000
     30       1.7385      2.00000
     31       1.8342      2.00000
     32       1.8756      2.00000
     33       1.9347      2.00000
     34       2.0093      2.00000
     35       2.1247      2.00000
     36       2.1628      2.00000
     37       2.2549      2.00000
     38       2.2802      2.00000
     39       2.3479      2.00000
     40       2.3966      2.00000
     41       2.4369      2.00000
     42       2.5275      2.00000
     43       2.5701      2.00000
     44       2.5974      2.00000
     45       2.6442      2.00000
     46       2.6790      2.00000
     47       2.7316      2.00000
     48       2.7931      2.00000
     49       2.8778      2.00000
     50       3.0756      2.00000
     51       3.1284      2.00000
     52       3.1802      2.00000
     53       3.2260      2.00000
     54       3.4912      2.00000
     55       3.6005      2.00000
     56       3.9585      2.00000
     57       4.6252      2.00000
     58       4.7050      2.00000
     59       5.1240      2.00000
     60       5.6498      2.02437
     61       5.7831      2.07064
     62       6.0891      0.46694
     63       6.3845     -0.02797
     64       6.9315     -0.00000
     65       7.6589     -0.00000
     66       8.4566     -0.00000
     67       9.0033     -0.00000
     68       9.3602     -0.00000
     69       9.4845     -0.00000
     70       9.8168     -0.00000
     71      10.6778     -0.00000
     72      11.0220     -0.00000
     73      11.3707     -0.00000
     74      11.7110      0.00000
     75      12.0761      0.00000
     76      12.4080      0.00000
     77      12.7667      0.00000
     78      13.6266      0.00000
     79      13.9627      0.00000
     80      14.1743      0.00000

 k-point  40 :      -0.4286   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9139      2.00000
      2     -39.9123      2.00000
      3     -39.7741      2.00000
      4     -39.6530      2.00000
      5     -39.6528      2.00000
      6     -39.6116      2.00000
      7     -39.6083      2.00000
      8      -0.4276      2.00000
      9      -0.1864      2.00000
     10       0.0368      2.00000
     11       0.1391      2.00000
     12       0.5274      2.00000
     13       0.5876      2.00000
     14       0.6787      2.00000
     15       0.7357      2.00000
     16       0.7967      2.00000
     17       0.8764      2.00000
     18       0.9537      2.00000
     19       1.0916      2.00000
     20       1.1087      2.00000
     21       1.1956      2.00000
     22       1.2713      2.00000
     23       1.2962      2.00000
     24       1.3655      2.00000
     25       1.4131      2.00000
     26       1.4670      2.00000
     27       1.5540      2.00000
     28       1.6689      2.00000
     29       1.7415      2.00000
     30       1.7736      2.00000
     31       1.8338      2.00000
     32       1.8469      2.00000
     33       1.9592      2.00000
     34       2.0615      2.00000
     35       2.0958      2.00000
     36       2.1347      2.00000
     37       2.2422      2.00000
     38       2.2800      2.00000
     39       2.2887      2.00000
     40       2.4384      2.00000
     41       2.4752      2.00000
     42       2.4819      2.00000
     43       2.5548      2.00000
     44       2.6223      2.00000
     45       2.6517      2.00000
     46       2.7029      2.00000
     47       2.7953      2.00000
     48       2.8026      2.00000
     49       2.8821      2.00000
     50       3.0913      2.00000
     51       3.1687      2.00000
     52       3.2513      2.00000
     53       3.4840      2.00000
     54       3.5656      2.00000
     55       3.6544      2.00000
     56       4.0664      2.00000
     57       4.5152      2.00000
     58       4.5659      2.00000
     59       4.8285      2.00000
     60       5.1692      2.00000
     61       5.6605      2.02823
     62       6.1413      0.16378
     63       6.4050     -0.02089
     64       7.5696     -0.00000
     65       7.7384     -0.00000
     66       8.0255     -0.00000
     67       8.4288     -0.00000
     68       8.9593     -0.00000
     69       9.6251     -0.00000
     70      10.2622     -0.00000
     71      10.3965     -0.00000
     72      11.2707     -0.00000
     73      11.6991      0.00000
     74      12.2999      0.00000
     75      12.4686      0.00000
     76      12.6347      0.00000
     77      13.3639      0.00000
     78      13.6171      0.00000
     79      14.1755      0.00000
     80      14.3081      0.00000

 k-point  41 :      -0.2857   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9154      2.00000
      2     -39.9109      2.00000
      3     -39.7743      2.00000
      4     -39.6531      2.00000
      5     -39.6529      2.00000
      6     -39.6146      2.00000
      7     -39.6052      2.00000
      8      -1.0481      2.00000
      9      -0.4635      2.00000
     10      -0.0824      2.00000
     11       0.3274      2.00000
     12       0.4412      2.00000
     13       0.5136      2.00000
     14       0.5654      2.00000
     15       0.6435      2.00000
     16       0.7481      2.00000
     17       0.8205      2.00000
     18       0.9197      2.00000
     19       0.9912      2.00000
     20       1.0240      2.00000
     21       1.0977      2.00000
     22       1.1817      2.00000
     23       1.2113      2.00000
     24       1.3120      2.00000
     25       1.3367      2.00000
     26       1.3582      2.00000
     27       1.4390      2.00000
     28       1.5045      2.00000
     29       1.6038      2.00000
     30       1.7671      2.00000
     31       1.8415      2.00000
     32       1.8628      2.00000
     33       1.9311      2.00000
     34       1.9910      2.00000
     35       2.0433      2.00000
     36       2.1223      2.00000
     37       2.1963      2.00000
     38       2.2638      2.00000
     39       2.3306      2.00000
     40       2.4531      2.00000
     41       2.4941      2.00000
     42       2.5123      2.00000
     43       2.6524      2.00000
     44       2.6843      2.00000
     45       2.7610      2.00000
     46       2.8049      2.00000
     47       2.8518      2.00000
     48       2.9261      2.00000
     49       3.0236      2.00000
     50       3.0834      2.00000
     51       3.1501      2.00000
     52       3.2185      2.00000
     53       3.3249      2.00000
     54       3.4894      2.00000
     55       3.6546      2.00000
     56       3.8534      2.00000
     57       4.7576      2.00000
     58       5.2146      2.00000
     59       5.3461      2.00002
     60       5.6006      2.01112
     61       6.3461     -0.04433
     62       6.5463     -0.00133
     63       7.2897     -0.00000
     64       7.3971     -0.00000
     65       7.6621     -0.00000
     66       8.0606     -0.00000
     67       8.8473     -0.00000
     68       9.6508     -0.00000
     69       9.9813     -0.00000
     70      10.5010     -0.00000
     71      10.6884     -0.00000
     72      11.0187     -0.00000
     73      11.3048     -0.00000
     74      12.4705      0.00000
     75      13.0361      0.00000
     76      13.3004      0.00000
     77      13.6001      0.00000
     78      14.1241      0.00000
     79      14.2323      0.00000
     80      14.8716      0.00000

 k-point  42 :      -0.1429   -0.3333    0.3750
  band No.  band energies     occupation 
      1     -39.9164      2.00000
      2     -39.9100      2.00000
      3     -39.7747      2.00000
      4     -39.6535      2.00000
      5     -39.6529      2.00000
      6     -39.6165      2.00000
      7     -39.6030      2.00000
      8      -1.4872      2.00000
      9      -0.7355      2.00000
     10      -0.3622      2.00000
     11       0.1617      2.00000
     12       0.2187      2.00000
     13       0.4626      2.00000
     14       0.5312      2.00000
     15       0.6050      2.00000
     16       0.6318      2.00000
     17       0.6643      2.00000
     18       0.8219      2.00000
     19       0.8789      2.00000
     20       0.9372      2.00000
     21       0.9735      2.00000
     22       0.9963      2.00000
     23       1.1461      2.00000
     24       1.1803      2.00000
     25       1.2465      2.00000
     26       1.3204      2.00000
     27       1.4387      2.00000
     28       1.5468      2.00000
     29       1.5950      2.00000
     30       1.6163      2.00000
     31       1.6903      2.00000
     32       1.8950      2.00000
     33       1.9677      2.00000
     34       2.0184      2.00000
     35       2.0939      2.00000
     36       2.1947      2.00000
     37       2.2591      2.00000
     38       2.3380      2.00000
     39       2.3588      2.00000
     40       2.4548      2.00000
     41       2.4754      2.00000
     42       2.6356      2.00000
     43       2.6766      2.00000
     44       2.7546      2.00000
     45       2.7805      2.00000
     46       2.8285      2.00000
     47       2.9658      2.00000
     48       2.9855      2.00000
     49       3.1193      2.00000
     50       3.1566      2.00000
     51       3.1986      2.00000
     52       3.3066      2.00000
     53       3.3825      2.00000
     54       3.6156      2.00000
     55       3.7848      2.00000
     56       3.8320      2.00000
     57       4.6184      2.00000
     58       5.1260      2.00000
     59       5.6751      2.03408
     60       6.1454      0.14544
     61       6.4447     -0.01092
     62       6.9250     -0.00000
     63       7.2638     -0.00000
     64       7.9470     -0.00000
     65       8.8940     -0.00000
     66       8.9943     -0.00000
     67       9.2183     -0.00000
     68       9.9880     -0.00000
     69      10.0516     -0.00000
     70      11.7117      0.00000
     71      11.9060      0.00000
     72      12.1255      0.00000
     73      12.2438      0.00000
     74      12.4611      0.00000
     75      12.8959      0.00000
     76      13.3041      0.00000
     77      13.5679      0.00000
     78      13.8175      0.00000
     79      13.9598      0.00000
     80      14.4597      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 -5.165  -0.000  -0.000  -0.003  -0.000  -5.376  -0.000  -0.000
 -0.000  -5.163  -0.003   0.001  -0.001  -0.000  -5.374  -0.003
 -0.000  -0.003  -5.166  -0.001  -0.007  -0.000  -0.003  -5.377
 -0.003   0.001  -0.001  -5.172   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.007   0.001  -5.153  -0.000  -0.001  -0.006
 -5.376  -0.000  -0.000  -0.003  -0.000  -5.569  -0.000  -0.000
 -0.000  -5.374  -0.003   0.001  -0.001  -0.000  -5.567  -0.003
 -0.000  -0.003  -5.377  -0.001  -0.006  -0.000  -0.003  -5.570
 -0.003   0.001  -0.001  -5.382   0.001  -0.003   0.001  -0.001
 -0.000  -0.001  -0.006   0.001  -5.363  -0.000  -0.001  -0.006
 -0.000   0.001   0.001   0.000   0.001  -0.000   0.001   0.001
 -0.001   0.002   0.001   0.000   0.001  -0.001   0.002   0.001
 -0.001  -0.000   0.001   0.000   0.003  -0.001  -0.000   0.001
  0.000  -0.002   0.001  -0.000   0.000   0.000  -0.002   0.001
 -0.000   0.000   0.000   0.000  -0.000  -0.001   0.000   0.000
 -0.001  -0.000   0.001   0.000   0.002  -0.001   0.000   0.001
  0.000  -0.002   0.001  -0.001   0.000   0.000  -0.002   0.001
 -0.001   0.000   0.000   0.000  -0.000  -0.002   0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  3.025   0.010   0.030   0.009   0.006  -1.172  -0.014  -0.025  -0.038  -0.014   0.018  -0.005  -0.012   0.007   0.357  -0.000
  0.010   3.077  -0.272   0.020  -0.174  -0.014  -1.062   0.226  -0.010   0.139  -0.064   0.011   0.000   0.173   0.008   0.000
  0.030  -0.272   2.661   0.008  -0.320  -0.025   0.226  -0.702  -0.018   0.235   0.083  -0.035  -0.112  -0.021  -0.004   0.006
  0.009   0.020   0.008   2.948   0.016  -0.038  -0.010  -0.018  -1.113  -0.007  -0.020   0.004   0.011   0.004  -0.023  -0.000
  0.006  -0.174  -0.320   0.016   3.079  -0.013   0.139   0.235  -0.007  -1.017  -0.144   0.069   0.045  -0.010   0.020   0.008
 -1.172  -0.014  -0.025  -0.038  -0.013   1.225   0.018   0.020   0.063   0.019  -0.016   0.005   0.012  -0.006  -0.290  -0.000
 -0.014  -1.062   0.226  -0.010   0.139   0.018   0.981  -0.182   0.003  -0.104   0.059  -0.013  -0.008  -0.138  -0.007   0.000
 -0.025   0.226  -0.702  -0.018   0.235   0.020  -0.182   0.681   0.026  -0.163  -0.091   0.046   0.084   0.025   0.002  -0.002
 -0.038  -0.010  -0.018  -1.113  -0.007   0.063   0.003   0.026   1.174   0.001   0.019  -0.006  -0.009  -0.002   0.014   0.000
 -0.014   0.139   0.235  -0.007  -1.017   0.019  -0.104  -0.163   0.001   0.908   0.134  -0.074  -0.048   0.011  -0.016  -0.000
  0.018  -0.064   0.083  -0.020  -0.144  -0.016   0.059  -0.091   0.019   0.134   2.092  -0.312  -0.042   0.003   0.001   0.002
 -0.005   0.011  -0.035   0.004   0.069   0.005  -0.013   0.046  -0.006  -0.074  -0.312   0.126   0.060  -0.004   0.002  -0.002
 -0.012   0.000  -0.112   0.011   0.045   0.012  -0.008   0.084  -0.009  -0.048  -0.042   0.060   0.132   0.007  -0.001  -0.003
  0.007   0.173  -0.021   0.004  -0.010  -0.006  -0.138   0.025  -0.002   0.011   0.003  -0.004   0.007   0.127   0.002  -0.000
  0.357   0.008  -0.004  -0.023   0.020  -0.290  -0.007   0.002   0.014  -0.016   0.001   0.002  -0.001   0.002   0.158   0.000
 -0.000   0.000   0.006  -0.000   0.008  -0.000   0.000  -0.002   0.000  -0.000   0.002  -0.002  -0.003  -0.000   0.000   0.000
 -0.000  -0.011   0.002  -0.001   0.000   0.000   0.005  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.003  -0.000   0.000
 -0.013  -0.000   0.000   0.001  -0.001   0.009   0.000  -0.000  -0.001   0.000  -0.000  -0.000   0.000  -0.000  -0.004  -0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


    CHARGE:  cpu time    1.73: real time    1.73
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    3.80: real time    3.81
    STRESS:  cpu time    6.62: real time    6.65
    FORCOR:  cpu time    0.02: real time    0.02
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z   469.25679   469.25679   469.25679
  Ewald   -2469.34416 -3177.42362 -2708.21462   -21.83063   -24.34826    11.86581
  Hartree   849.95535   342.86845   679.53929   -14.65597    -3.03375     7.54400
  E(xc)    -540.91288  -541.59587  -541.06887    -0.02516    -0.13624     0.01462
  Local    -598.44534   614.42826  -189.43368    36.03564    26.19189   -18.96718
  n-local  -102.82357   -99.56115  -101.52988     0.29066     0.74149    -0.26205
  augment   723.82792   723.28453   723.37067     0.02321     0.11280    -0.04265
  Kinetic  1668.50560  1668.78498  1668.11330     0.15899     0.47240    -0.15449
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.01972     0.04237     0.03301    -0.00327     0.00032    -0.00195
  in kB       0.12271     0.26370     0.20541    -0.02033     0.00199    -0.01213
  external pressure =        0.20 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      623.79
  volume of cell :      257.44
      direct lattice vectors                 reciprocal lattice vectors
     4.098284712 -0.101403421  0.142199292     0.243695110  0.100281996  0.080429334
    -3.908790081  8.756143563  0.925899455     0.002763091  0.115174859  0.002497838
    -2.320329876 -0.099496280  7.154488324    -0.005201157 -0.016898534  0.137850565

  length of vectors
     4.102004495  9.633586030  7.522003285     0.275522527  0.115235072  0.138979822


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.372E+01 -.160E+03 0.250E+02   0.389E+01 0.163E+03 -.253E+02   -.162E+00 -.282E+01 0.265E+00   0.391E-04 0.285E-03 -.567E-03
   0.373E+01 0.160E+03 -.250E+02   -.389E+01 -.163E+03 0.253E+02   0.162E+00 0.282E+01 -.264E+00   -.299E-04 -.291E-03 0.567E-03
   0.317E+01 0.146E+03 0.665E+01   -.326E+01 -.148E+03 -.646E+01   0.948E-01 0.127E+01 -.189E+00   -.355E-04 -.106E-02 -.325E-03
   -.100E+00 -.701E+02 -.429E+02   0.103E+00 0.698E+02 0.438E+02   -.245E-02 0.317E+00 -.854E+00   -.217E-05 0.284E-03 -.432E-03
   0.630E+01 0.978E+02 -.964E+02   -.636E+01 -.990E+02 0.978E+02   0.605E-01 0.127E+01 -.141E+01   -.450E-04 -.727E-04 0.433E-04
   -.178E-01 0.665E-03 0.230E-02   0.177E-01 -.505E-03 -.254E-02   0.400E-03 -.219E-03 0.372E-03   0.239E-05 -.517E-05 0.649E-05
   -.629E+01 -.978E+02 0.964E+02   0.635E+01 0.991E+02 -.978E+02   -.605E-01 -.127E+01 0.141E+01   0.399E-04 0.804E-04 -.515E-04
   -.316E+01 -.146E+03 -.666E+01   0.325E+01 0.148E+03 0.648E+01   -.953E-01 -.127E+01 0.188E+00   0.201E-04 0.107E-02 0.337E-03
   0.937E-01 0.701E+02 0.429E+02   -.964E-01 -.698E+02 -.438E+02   0.252E-02 -.317E+00 0.854E+00   -.410E-05 -.272E-03 0.431E-03
   0.669E-02 0.394E-02 -.159E-02   -.651E-02 -.375E-02 0.170E-02   -.197E-03 -.152E-03 -.697E-04   0.196E-06 0.213E-06 0.361E-06
   0.918E+00 0.940E+01 -.280E+02   -.924E+00 -.922E+01 0.279E+02   0.603E-02 -.181E+00 0.985E-01   0.138E-04 0.819E-04 -.723E-04
   -.930E+00 -.939E+01 0.280E+02   0.936E+00 0.921E+01 -.279E+02   -.583E-02 0.180E+00 -.987E-01   -.134E-04 -.820E-04 0.706E-04
   0.731E+00 -.929E+01 -.204E+02   -.688E+00 0.933E+01 0.201E+02   -.425E-01 -.442E-01 0.274E+00   -.226E-06 0.427E-04 0.835E-05
   -.172E+01 -.622E+02 0.461E+01   0.171E+01 0.621E+02 -.486E+01   0.600E-02 0.657E-01 0.244E+00   0.347E-05 0.127E-03 0.382E-06
   -.733E+00 0.932E+01 0.204E+02   0.690E+00 -.936E+01 -.201E+02   0.426E-01 0.438E-01 -.275E+00   0.290E-06 -.426E-04 -.797E-05
   0.172E+01 0.622E+02 -.462E+01   -.171E+01 -.621E+02 0.487E+01   -.615E-02 -.656E-01 -.243E+00   -.180E-05 -.128E-03 -.279E-05
 -----------------------------------------------------------------------------------------------
   0.288E-04 -.290E-03 -.220E-03   -.140E-13 -.192E-12 -.231E-13   -.163E-04 0.134E-02 0.836E-04   -.128E-04 0.975E-05 0.619E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     -3.06949      6.36379      7.88939         0.001277      0.000404     -0.002169
     -2.90873      8.16142      4.54696        -0.001276     -0.000301      0.002215
     -1.04324      1.16746      4.63301         0.000529     -0.002881     -0.001215
     -2.90112      5.24258      2.40011         0.000090     -0.001862     -0.001654
      1.19267      1.83231      0.31915        -0.000683      0.003521     -0.002128
     -3.08394      2.93522      5.68413         0.000298     -0.000130      0.000151
     -0.94186      4.03626      4.03683         0.000561     -0.003351      0.001987
     -1.02624      4.60153      6.87751        -0.000650      0.003011      0.001171
      3.15191      0.62635      1.95597        -0.000112      0.001743      0.001731
     -5.03813      7.31329      6.14706        -0.000021     -0.000024      0.000041
     -0.84852      3.63499      1.26156         0.000207      0.000533     -0.001836
      1.09915      2.23404      3.09443        -0.000202     -0.000406      0.001892
     -0.84955      6.70728      3.45893         0.000526     -0.001246      0.000293
     -2.99564      5.53666      5.14056         0.001376     -0.000992     -0.001748
     -2.80843      7.91784      1.82299        -0.000486      0.000993     -0.000393
      0.92619      0.23233      6.36991        -0.001432      0.000988      0.001660
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000      0.001057     -0.000130


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -49.87795762 eV

  energy  without entropy=      -49.88281323  energy(sigma->0) =      -49.87957616
 
 d Force = 0.3081612E-04[ 0.172E-04, 0.444E-04]  d Energy = 0.4175646E-04-0.109E-04
 d Force =-0.3303477E+00[-0.331E+00,-0.329E+00]  d Ewald  = 0.4174010E+00-0.748E+00


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.000042  1 .order   -0.000040   -0.000068   -0.000012
  (g-gl).g = 0.262E-04      g.g   = 0.239E-04  gl.gl    = 0.362E-04
 g(Force)  = 0.143E-04   g(Stress)= 0.963E-05 ortho     =-0.209E-06
 gamma     =   0.72499
 trial     =   2.85802
 opt step  =   3.35996  (harmonic =   3.47517) maximal distance =0.00219605
 next E    =   -49.877959   (d E  =  -0.00004)


--------------------------------------------------------------------------------------------------------


  
 reached required accuracy - stopping structural energy minimisation
 writing wavefunctions
     LOOP+:  cpu time  129.47: real time  130.61
    4ORBIT:  cpu time    0.00: real time    0.00

 total amount of memory used by VASP on root node   185536. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :     113045. kBytes
   fftplans  :       1823. kBytes
   grid      :       8971. kBytes
   one-center:        248. kBytes
   wavefun   :      31449. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):     2759.090
                            User time (sec):     2755.242
                          System time (sec):        3.847
                         Elapsed time (sec):     2775.962
  
                   Maximum memory used (kb):      280508.
                   Average memory used (kb):           0.
  
                          Minor page faults:        19091
                          Major page faults:            0
                 Voluntary context switches:        17813
