 vasp.6.4.1 05Apr23 (build Apr 28 2025 17:05:42) complex                         
 executed on             LinuxGNU date 2025.09.30  15:13:43
 running    1 mpi-ranks, on    1 nodes
 distrk:  each k-point on    1 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    1 groups


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


 INCAR:
   SYSTEM = Si
   PREC = Accurate
   ENCUT = 100
   EDIFF = 1.0e-05
   ISMEAR = 0
   SIGMA = 0.02
   LSORBIT = TRUE
   ISTART = 1
   ICHARG = 11
   LORBIT = 11
   LWAVE = .FALSE.
   LCHARG = .FALSE.

 POTCAR:    PAW_PBE Si 05Jan2001                  
 -----------------------------------------------------------------------------
|                                                                             |
|           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   !!!           |
|                                                                             |
|     You use a magnetic or noncollinear calculation, but did not specify     |
|     the initial magnetic moment with the MAGMOM tag. Note that a            |
|     default of 1 will be used for all atoms. This ferromagnetic setup       |
|     may break the symmetry of the crystal, in particular it may rule        |
|     out finding an antiferromagnetic solution. Thence, we recommend         |
|     setting the initial magnetic moment manually or verifying carefully     |
|     that this magnetic setup is desired.                                    |
|                                                                             |
 -----------------------------------------------------------------------------

 POTCAR:    PAW_PBE Si 05Jan2001                  
   SHA256 =  79d9987ad8750f624c4d6acb2a16d13abf6a777132adc04dc6c8399be72b42bb Si/POTCAR             
   COPYR  = (c) Copyright 05Jan2001 Georg Kresse                                                    
   COPYR  = This file is part of the software VASP. Any use, copying, and all other rights are regul
   COPYR  = If you do not have a valid VASP license, you may not use, copy or distribute this file. 
   VRHFIN =Si: s2p2                                                                                 
   LEXCH  = PE                                                                                      
   EATOM  =   103.0669 eV,    7.5752 Ry                                                             
                                                                                                    
   TITEL  = PAW_PBE Si 05Jan2001                                                                    
   LULTRA =        F    use ultrasoft PP ?                                                          
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                                               
   RPACOR =    1.500    partial core radius                                                         
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                                          
   RCORE  =    1.900    outmost cutoff radius                                                       
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)                               
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                                          
   ICORE  =        2    local potential                                                             
   LCOR   =        T    correct aug charges                                                         
   LPAW   =        T    paw PP                                                                      
   EAUG   =  322.069                                                                                
   DEXC   =    0.000                                                                                
   RMAX   =    1.950    core radius for proj-oper                                                   
   RAUG   =    1.300    factor for augmentation sphere                                              
   RDEP   =    1.993    radius for radial grids                                                     
   RDEPT  =    1.837    core radius for aug-charge                                                  
                                                                                                    
   Atomic configuration                                                                             
    6 entries                                                                                       
     n  l   j            E        occ.                                                              
     1  0  0.50     -1785.8828   2.0000                                                             
     2  0  0.50      -139.4969   2.0000                                                             
     2  1  1.50       -95.5546   6.0000                                                             
     3  0  0.50       -10.8127   2.0000                                                             
     3  1  0.50        -4.0811   2.0000                                                             
     3  2  1.50        -4.0817   0.0000                                                             
   Description                                                                                      
     l       E           TYP  RCUT    TYP  RCUT                                                     
     0    -10.8127223     23  1.900                                                                 
     0     -7.6451159     23  1.900                                                                 
     1     -4.0811372     23  1.900                                                                 
     1      2.4879257     23  1.900                                                                 
     2     -4.0817478      7  1.900                                                                 
  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=           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  =           4
   number of lm-projection operators is LMMAX =           8

  PAW_PBE Si 05Jan2001                  :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.1213 (will be added to EATOM!!)


 POSCAR: Si
  positions in cartesian coordinates
  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  0.000  0.000  0.000-   2 2.37   2 2.37   2 2.37   2 2.37
   2  0.250  0.250  0.250-   1 2.37   1 2.37   1 2.37   1 2.37

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.4687279960
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.7343639980,   2.7343639980)
 A2 = (   2.7343639980,   0.0000000000,   2.7343639980)
 A3 = (   2.7343639980,   2.7343639980,   0.0000000000)


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 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


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 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 24 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry T_d .
 The point group associated with its full space group is O_h .


Analysis of structural, dynamic, and magnetic symmetry:
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found  6 space group operations
 (whereof  3 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The overall configuration has the point symmetry C_3 .
 The point group associated with its full space group is S_6 .


 Subroutine INISYM returns: Found  6 space group operations
 (whereof  3 operations are pure point group operations),
 and found     1 'primitive' translations


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

                                     Primitive cell                                     

  volume of cell :      40.8883

  direct lattice vectors                    reciprocal lattice vectors
     0.000000000  2.734363998  2.734363998    -0.182857879  0.182857879  0.182857879
     2.734363998  0.000000000  2.734363998     0.182857879 -0.182857879  0.182857879
     2.734363998  2.734363998  0.000000000     0.182857879  0.182857879 -0.182857879

  length of vectors
     3.866974650  3.866974650  3.866974650     0.316719136  0.316719136  0.316719136

  position of ions in fractional coordinates (direct lattice)
     0.000000000  0.000000000  0.000000000
     0.250000000  0.250000000  0.250000000

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2

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



 KPOINTS: Cubic                                   

Interpolating k-points between supplied coordinates.

 Line segments in fractional coordinates (reciprocal lattice):
    0.500000  0.000000  0.500000  ...  0.500000  0.250000  0.750000
    0.500000  0.250000  0.750000  ...  0.500000  0.500000  0.500000
    0.500000  0.500000  0.500000  ...  0.000000  0.000000  0.000000
    0.000000  0.000000  0.000000  ...  0.500000  0.000000  0.500000
    0.500000  0.500000  1.000000  ...  0.375000  0.375000  0.750000
    0.375000  0.375000  0.750000  ...  0.125000  0.125000  0.250000
    0.125000  0.125000  0.250000  ...  0.000000  0.000000  0.000000

 Generated    20 points on each line segment, for a total of    140 k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.500000  0.000000  0.500000      0.007143
  0.500000  0.013158  0.513158      0.007143
  0.500000  0.026316  0.526316      0.007143
  0.500000  0.039474  0.539474      0.007143
  0.500000  0.052632  0.552632      0.007143
  0.500000  0.065789  0.565789      0.007143
  0.500000  0.078947  0.578947      0.007143
  0.500000  0.092105  0.592105      0.007143
  0.500000  0.105263  0.605263      0.007143
  0.500000  0.118421  0.618421      0.007143
  0.500000  0.131579  0.631579      0.007143
  0.500000  0.144737  0.644737      0.007143
  0.500000  0.157895  0.657895      0.007143
  0.500000  0.171053  0.671053      0.007143
  0.500000  0.184211  0.684211      0.007143
  0.500000  0.197368  0.697368      0.007143
  0.500000  0.210526  0.710526      0.007143
  0.500000  0.223684  0.723684      0.007143
  0.500000  0.236842  0.736842      0.007143
  0.500000  0.250000  0.750000      0.007143
  0.500000  0.250000  0.750000      0.007143
  0.500000  0.263158  0.736842      0.007143
  0.500000  0.276316  0.723684      0.007143
  0.500000  0.289474  0.710526      0.007143
  0.500000  0.302632  0.697368      0.007143
  0.500000  0.315789  0.684211      0.007143
  0.500000  0.328947  0.671053      0.007143
  0.500000  0.342105  0.657895      0.007143
  0.500000  0.355263  0.644737      0.007143
  0.500000  0.368421  0.631579      0.007143
  0.500000  0.381579  0.618421      0.007143
  0.500000  0.394737  0.605263      0.007143
  0.500000  0.407895  0.592105      0.007143
  0.500000  0.421053  0.578947      0.007143
  0.500000  0.434211  0.565789      0.007143
  0.500000  0.447368  0.552632      0.007143
  0.500000  0.460526  0.539474      0.007143
  0.500000  0.473684  0.526316      0.007143
  0.500000  0.486842  0.513158      0.007143
  0.500000  0.500000  0.500000      0.007143
  0.500000  0.500000  0.500000      0.007143
  0.473684  0.473684  0.473684      0.007143
  0.447368  0.447368  0.447368      0.007143
  0.421053  0.421053  0.421053      0.007143
  0.394737  0.394737  0.394737      0.007143
  0.368421  0.368421  0.368421      0.007143
  0.342105  0.342105  0.342105      0.007143
  0.315789  0.315789  0.315789      0.007143
  0.289474  0.289474  0.289474      0.007143
  0.263158  0.263158  0.263158      0.007143
  0.236842  0.236842  0.236842      0.007143
  0.210526  0.210526  0.210526      0.007143
  0.184211  0.184211  0.184211      0.007143
  0.157895  0.157895  0.157895      0.007143
  0.131579  0.131579  0.131579      0.007143
  0.105263  0.105263  0.105263      0.007143
  0.078947  0.078947  0.078947      0.007143
  0.052632  0.052632  0.052632      0.007143
  0.026316  0.026316  0.026316      0.007143
  0.000000  0.000000  0.000000      0.007143
  0.000000  0.000000  0.000000      0.007143
  0.026316  0.000000  0.026316      0.007143
  0.052632  0.000000  0.052632      0.007143
  0.078947  0.000000  0.078947      0.007143
  0.105263  0.000000  0.105263      0.007143
  0.131579  0.000000  0.131579      0.007143
  0.157895  0.000000  0.157895      0.007143
  0.184211  0.000000  0.184211      0.007143
  0.210526  0.000000  0.210526      0.007143
  0.236842  0.000000  0.236842      0.007143
  0.263158  0.000000  0.263158      0.007143
  0.289474  0.000000  0.289474      0.007143
  0.315789  0.000000  0.315789      0.007143
  0.342105  0.000000  0.342105      0.007143
  0.368421  0.000000  0.368421      0.007143
  0.394737  0.000000  0.394737      0.007143
  0.421053  0.000000  0.421053      0.007143
  0.447368  0.000000  0.447368      0.007143
  0.473684  0.000000  0.473684      0.007143
  0.500000  0.000000  0.500000      0.007143
  0.500000  0.500000  1.000000      0.007143
  0.493421  0.493421  0.986842      0.007143
  0.486842  0.486842  0.973684      0.007143
  0.480263  0.480263  0.960526      0.007143
  0.473684  0.473684  0.947368      0.007143
  0.467105  0.467105  0.934211      0.007143
  0.460526  0.460526  0.921053      0.007143
  0.453947  0.453947  0.907895      0.007143
  0.447368  0.447368  0.894737      0.007143
  0.440789  0.440789  0.881579      0.007143
  0.434211  0.434211  0.868421      0.007143
  0.427632  0.427632  0.855263      0.007143
  0.421053  0.421053  0.842105      0.007143
  0.414474  0.414474  0.828947      0.007143
  0.407895  0.407895  0.815789      0.007143
  0.401316  0.401316  0.802632      0.007143
  0.394737  0.394737  0.789474      0.007143
  0.388158  0.388158  0.776316      0.007143
  0.381579  0.381579  0.763158      0.007143
  0.375000  0.375000  0.750000      0.007143
  0.375000  0.375000  0.750000      0.007143
  0.361842  0.361842  0.723684      0.007143
  0.348684  0.348684  0.697368      0.007143
  0.335526  0.335526  0.671053      0.007143
  0.322368  0.322368  0.644737      0.007143
  0.309211  0.309211  0.618421      0.007143
  0.296053  0.296053  0.592105      0.007143
  0.282895  0.282895  0.565789      0.007143
  0.269737  0.269737  0.539474      0.007143
  0.256579  0.256579  0.513158      0.007143
  0.243421  0.243421  0.486842      0.007143
  0.230263  0.230263  0.460526      0.007143
  0.217105  0.217105  0.434211      0.007143
  0.203947  0.203947  0.407895      0.007143
  0.190789  0.190789  0.381579      0.007143
  0.177632  0.177632  0.355263      0.007143
  0.164474  0.164474  0.328947      0.007143
  0.151316  0.151316  0.302632      0.007143
  0.138158  0.138158  0.276316      0.007143
  0.125000  0.125000  0.250000      0.007143
  0.125000  0.125000  0.250000      0.007143
  0.118421  0.118421  0.236842      0.007143
  0.111842  0.111842  0.223684      0.007143
  0.105263  0.105263  0.210526      0.007143
  0.098684  0.098684  0.197368      0.007143
  0.092105  0.092105  0.184211      0.007143
  0.085526  0.085526  0.171053      0.007143
  0.078947  0.078947  0.157895      0.007143
  0.072368  0.072368  0.144737      0.007143
  0.065789  0.065789  0.131579      0.007143
  0.059211  0.059211  0.118421      0.007143
  0.052632  0.052632  0.105263      0.007143
  0.046053  0.046053  0.092105      0.007143
  0.039474  0.039474  0.078947      0.007143
  0.032895  0.032895  0.065789      0.007143
  0.026316  0.026316  0.052632      0.007143
  0.019737  0.019737  0.039474      0.007143
  0.013158  0.013158  0.026316      0.007143
  0.006579  0.006579  0.013158      0.007143
  0.000000  0.000000  0.000000      0.007143

 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.182858  0.000000      0.007143
  0.004812  0.182858 -0.000000      0.007143
  0.009624  0.182858  0.000000      0.007143
  0.014436  0.182858 -0.000000      0.007143
  0.019248  0.182858  0.000000      0.007143
  0.024060  0.182858  0.000000      0.007143
  0.028872  0.182858 -0.000000      0.007143
  0.033684  0.182858  0.000000      0.007143
  0.038496  0.182858 -0.000000      0.007143
  0.043308  0.182858 -0.000000      0.007143
  0.048120  0.182858  0.000000      0.007143
  0.052933  0.182858 -0.000000      0.007143
  0.057745  0.182858 -0.000000      0.007143
  0.062557  0.182858 -0.000000      0.007143
  0.067369  0.182858  0.000000      0.007143
  0.072181  0.182858  0.000000      0.007143
  0.076993  0.182858  0.000000      0.007143
  0.081805  0.182858 -0.000000      0.007143
  0.086617  0.182858  0.000000      0.007143
  0.091429  0.182858 -0.000000      0.007143
  0.091429  0.182858 -0.000000      0.007143
  0.091429  0.178046  0.004812      0.007143
  0.091429  0.173234  0.009624      0.007143
  0.091429  0.168422  0.014436      0.007143
  0.091429  0.163610  0.019248      0.007143
  0.091429  0.158798  0.024060      0.007143
  0.091429  0.153986  0.028872      0.007143
  0.091429  0.149174  0.033684      0.007143
  0.091429  0.144361  0.038496      0.007143
  0.091429  0.139549  0.043308      0.007143
  0.091429  0.134737  0.048120      0.007143
  0.091429  0.129925  0.052933      0.007143
  0.091429  0.125113  0.057745      0.007143
  0.091429  0.120301  0.062557      0.007143
  0.091429  0.115489  0.067369      0.007143
  0.091429  0.110677  0.072181      0.007143
  0.091429  0.105865  0.076993      0.007143
  0.091429  0.101053  0.081805      0.007143
  0.091429  0.096241  0.086617      0.007143
  0.091429  0.091429  0.091429      0.007143
  0.091429  0.091429  0.091429      0.007143
  0.086617  0.086617  0.086617      0.007143
  0.081805  0.081805  0.081805      0.007143
  0.076993  0.076993  0.076993      0.007143
  0.072181  0.072181  0.072181      0.007143
  0.067369  0.067369  0.067369      0.007143
  0.062557  0.062557  0.062557      0.007143
  0.057745  0.057745  0.057745      0.007143
  0.052933  0.052933  0.052933      0.007143
  0.048120  0.048120  0.048120      0.007143
  0.043308  0.043308  0.043308      0.007143
  0.038496  0.038496  0.038496      0.007143
  0.033684  0.033684  0.033684      0.007143
  0.028872  0.028872  0.028872      0.007143
  0.024060  0.024060  0.024060      0.007143
  0.019248  0.019248  0.019248      0.007143
  0.014436  0.014436  0.014436      0.007143
  0.009624  0.009624  0.009624      0.007143
  0.004812  0.004812  0.004812      0.007143
  0.000000  0.000000  0.000000      0.007143
  0.000000  0.000000  0.000000      0.007143
 -0.000000  0.009624  0.000000      0.007143
 -0.000000  0.019248  0.000000      0.007143
 -0.000000  0.028872  0.000000      0.007143
 -0.000000  0.038496  0.000000      0.007143
 -0.000000  0.048120  0.000000      0.007143
 -0.000000  0.057745  0.000000      0.007143
  0.000000  0.067369 -0.000000      0.007143
 -0.000000  0.076993  0.000000      0.007143
 -0.000000  0.086617  0.000000      0.007143
 -0.000000  0.096241  0.000000      0.007143
  0.000000  0.105865 -0.000000      0.007143
 -0.000000  0.115489  0.000000      0.007143
  0.000000  0.125113 -0.000000      0.007143
  0.000000  0.134737 -0.000000      0.007143
 -0.000000  0.144361  0.000000      0.007143
 -0.000000  0.153986  0.000000      0.007143
  0.000000  0.163610 -0.000000      0.007143
 -0.000000  0.173234  0.000000      0.007143
  0.000000  0.182858  0.000000      0.007143
  0.182858  0.182858  0.000000      0.007143
  0.180452  0.180452 -0.000000      0.007143
  0.178046  0.178046 -0.000000      0.007143
  0.175640  0.175640 -0.000000      0.007143
  0.173234  0.173234 -0.000000      0.007143
  0.170828  0.170828  0.000000      0.007143
  0.168422  0.168422  0.000000      0.007143
  0.166016  0.166016  0.000000      0.007143
  0.163610  0.163610  0.000000      0.007143
  0.161204  0.161204 -0.000000      0.007143
  0.158798  0.158798 -0.000000      0.007143
  0.156392  0.156392 -0.000000      0.007143
  0.153986  0.153986  0.000000      0.007143
  0.151580  0.151580 -0.000000      0.007143
  0.149174  0.149174  0.000000      0.007143
  0.146768  0.146768  0.000000      0.007143
  0.144361  0.144361  0.000000      0.007143
  0.141955  0.141955 -0.000000      0.007143
  0.139549  0.139549 -0.000000      0.007143
  0.137143  0.137143 -0.000000      0.007143
  0.137143  0.137143 -0.000000      0.007143
  0.132331  0.132331 -0.000000      0.007143
  0.127519  0.127519  0.000000      0.007143
  0.122707  0.122707 -0.000000      0.007143
  0.117895  0.117895 -0.000000      0.007143
  0.113083  0.113083  0.000000      0.007143
  0.108271  0.108271  0.000000      0.007143
  0.103459  0.103459  0.000000      0.007143
  0.098647  0.098647 -0.000000      0.007143
  0.093835  0.093835  0.000000      0.007143
  0.089023  0.089023 -0.000000      0.007143
  0.084211  0.084211  0.000000      0.007143
  0.079399  0.079399 -0.000000      0.007143
  0.074587  0.074587 -0.000000      0.007143
  0.069775  0.069775 -0.000000      0.007143
  0.064963  0.064963  0.000000      0.007143
  0.060151  0.060151  0.000000      0.007143
  0.055339  0.055339  0.000000      0.007143
  0.050527  0.050527  0.000000      0.007143
  0.045714  0.045714  0.000000      0.007143
  0.045714  0.045714  0.000000      0.007143
  0.043308  0.043308 -0.000000      0.007143
  0.040902  0.040902  0.000000      0.007143
  0.038496  0.038496  0.000000      0.007143
  0.036090  0.036090  0.000000      0.007143
  0.033684  0.033684 -0.000000      0.007143
  0.031278  0.031278  0.000000      0.007143
  0.028872  0.028872  0.000000      0.007143
  0.026466  0.026466 -0.000000      0.007143
  0.024060  0.024060 -0.000000      0.007143
  0.021654  0.021654 -0.000000      0.007143
  0.019248  0.019248 -0.000000      0.007143
  0.016842  0.016842 -0.000000      0.007143
  0.014436  0.014436 -0.000000      0.007143
  0.012030  0.012030 -0.000000      0.007143
  0.009624  0.009624  0.000000      0.007143
  0.007218  0.007218  0.000000      0.007143
  0.004812  0.004812 -0.000000      0.007143
  0.002406  0.002406 -0.000000      0.007143
  0.000000  0.000000  0.000000      0.007143



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




 Dimension of arrays:
   k-points           NKPTS =    140   k-points in BZ     NKDIM =    140   number of bands    NBANDS=     18
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =   2744
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   2443
   dimension x,y,z NGX =    14 NGY =   14 NGZ =   14
   dimension x,y,z NGXF=    28 NGYF=   28 NGZF=   28
   support grid    NGXF=    28 NGYF=   28 NGZF=   28
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of   6.02,  6.02,  6.02 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  12.04, 12.04, 12.04 a.u.

 SYSTEM =  Si                                      
 POSCAR =  Si                                      

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      1    job   : 0-new  1-cont  2-samecut
   ICHARG =     11    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      T non collinear calculations
   LSORBIT =      T    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  100.0 eV   7.35 Ry    2.71 a.u.   3.15  3.15  3.15*2*pi/ulx,y,z
   ENINI  =  100.0     initial cutoff
   ENAUG  =  322.1 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-04   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
 Ionic relaxation
   EDIFFG = 0.1E-03   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    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 = 0.13E+47 mass=  -0.342E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 10.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    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;   METHOD = LEGACY      
   ISMEAR =     0;   SIGMA  =   0.02  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    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 = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.14E-06  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      20.44       137.96
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.950397  1.795990 12.289529  0.903255
  Thomas-Fermi vector in A             =   2.078770

 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =     11    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 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
   LIBXC   =     F    Libxc                    
   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
   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
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time

  Optional k-point grid parameters
   LKPOINTS_OPT  =     F    use optional k-point grid
   KPOINTS_OPT_MODE=     1    mode for optional k-point grid

 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
   LLRAUG    =     F  two centre corrections for induced B field
   LBONE     =     F  B-component reconstruction in AE one-centre
   LVGVCALC  =     T  calculate vGv susceptibility
   LVGVAPPL  =     F  apply vGv susceptibility instead of pGv for G=0

 Random number generation:
   RANDOM_GENERATOR = DEFAULT
   PCG_SEED         = not used


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


 Static calculation
 charge density and potential remain constant during run
 non collinear spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 no mixing
 using additional bands           14
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections 
 WARNING: stress and forces are not correct
  (second derivative of E(xc) not defined)
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.02


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


  energy-cutoff  :      100.00
  volume of cell :       40.89
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.734363998  2.734363998    -0.182857879  0.182857879  0.182857879
     2.734363998  0.000000000  2.734363998     0.182857879 -0.182857879  0.182857879
     2.734363998  2.734363998  0.000000000     0.182857879  0.182857879 -0.182857879

  length of vectors
     3.866974650  3.866974650  3.866974650     0.316719136  0.316719136  0.316719136



 old parameters found on file WAVECAR:
  energy-cutoff  :      100.00
  volume of cell :       40.89
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.734363998  2.734363998    -0.182857879  0.182857879  0.182857879
     2.734363998  0.000000000  2.734363998     0.182857879 -0.182857879  0.182857879
     2.734363998  2.734363998  0.000000000     0.182857879  0.182857879 -0.182857879

  length of vectors


 k-points in units of 2pi/SCALE and weight: Cubic                                   
   0.00000000  0.18285788  0.00000000       0.007
   0.00481205  0.18285788 -0.00000000       0.007
   0.00962410  0.18285788  0.00000000       0.007
   0.01443615  0.18285788 -0.00000000       0.007
   0.01924820  0.18285788  0.00000000       0.007
   0.02406025  0.18285788  0.00000000       0.007
   0.02887230  0.18285788 -0.00000000       0.007
   0.03368435  0.18285788  0.00000000       0.007
   0.03849640  0.18285788 -0.00000000       0.007
   0.04330844  0.18285788 -0.00000000       0.007
   0.04812049  0.18285788  0.00000000       0.007
   0.05293254  0.18285788 -0.00000000       0.007
   0.05774459  0.18285788 -0.00000000       0.007
   0.06255664  0.18285788 -0.00000000       0.007
   0.06736869  0.18285788 -0.00000000       0.007
   0.07218074  0.18285788  0.00000000       0.007
   0.07699279  0.18285788  0.00000000       0.007
   0.08180484  0.18285788 -0.00000000       0.007
   0.08661689  0.18285788  0.00000000       0.007
   0.09142894  0.18285788 -0.00000000       0.007
   0.09142894  0.18285788 -0.00000000       0.007
   0.09142894  0.17804583  0.00481205       0.007
   0.09142894  0.17323378  0.00962410       0.007
   0.09142894  0.16842173  0.01443615       0.007
   0.09142894  0.16360968  0.01924820       0.007
   0.09142894  0.15879763  0.02406025       0.007
   0.09142894  0.15398558  0.02887230       0.007
   0.09142894  0.14917353  0.03368435       0.007
   0.09142894  0.14436148  0.03849640       0.007
   0.09142894  0.13954943  0.04330844       0.007
   0.09142894  0.13473738  0.04812049       0.007
   0.09142894  0.12992533  0.05293254       0.007
   0.09142894  0.12511329  0.05774459       0.007
   0.09142894  0.12030124  0.06255664       0.007
   0.09142894  0.11548919  0.06736869       0.007
   0.09142894  0.11067714  0.07218074       0.007
   0.09142894  0.10586509  0.07699279       0.007
   0.09142894  0.10105304  0.08180484       0.007
   0.09142894  0.09624099  0.08661689       0.007
   0.09142894  0.09142894  0.09142894       0.007
   0.09142894  0.09142894  0.09142894       0.007
   0.08661689  0.08661689  0.08661689       0.007
   0.08180484  0.08180484  0.08180484       0.007
   0.07699279  0.07699279  0.07699279       0.007
   0.07218074  0.07218074  0.07218074       0.007
   0.06736869  0.06736869  0.06736869       0.007
   0.06255664  0.06255664  0.06255664       0.007
   0.05774459  0.05774459  0.05774459       0.007
   0.05293254  0.05293254  0.05293254       0.007
   0.04812049  0.04812049  0.04812049       0.007
   0.04330844  0.04330844  0.04330844       0.007
   0.03849640  0.03849640  0.03849640       0.007
   0.03368435  0.03368435  0.03368435       0.007
   0.02887230  0.02887230  0.02887230       0.007
   0.02406025  0.02406025  0.02406025       0.007
   0.01924820  0.01924820  0.01924820       0.007
   0.01443615  0.01443615  0.01443615       0.007
   0.00962410  0.00962410  0.00962410       0.007
   0.00481205  0.00481205  0.00481205       0.007
   0.00000000  0.00000000  0.00000000       0.007
   0.00000000  0.00000000  0.00000000       0.007
  -0.00000000  0.00962410  0.00000000       0.007
  -0.00000000  0.01924820  0.00000000       0.007
  -0.00000000  0.02887230  0.00000000       0.007
  -0.00000000  0.03849640  0.00000000       0.007
  -0.00000000  0.04812049  0.00000000       0.007
  -0.00000000  0.05774459  0.00000000       0.007
   0.00000000  0.06736869 -0.00000000       0.007
  -0.00000000  0.07699279  0.00000000       0.007
  -0.00000000  0.08661689  0.00000000       0.007
  -0.00000000  0.09624099  0.00000000       0.007
   0.00000000  0.10586509 -0.00000000       0.007
  -0.00000000  0.11548919  0.00000000       0.007
   0.00000000  0.12511329 -0.00000000       0.007
   0.00000000  0.13473738 -0.00000000       0.007
  -0.00000000  0.14436148  0.00000000       0.007
  -0.00000000  0.15398558  0.00000000       0.007
   0.00000000  0.16360968 -0.00000000       0.007
  -0.00000000  0.17323378  0.00000000       0.007
   0.00000000  0.18285788  0.00000000       0.007
   0.18285788  0.18285788  0.00000000       0.007
   0.18045185  0.18045185 -0.00000000       0.007
   0.17804583  0.17804583 -0.00000000       0.007
   0.17563980  0.17563980 -0.00000000       0.007
   0.17323378  0.17323378 -0.00000000       0.007
   0.17082776  0.17082776  0.00000000       0.007
   0.16842173  0.16842173  0.00000000       0.007
   0.16601571  0.16601571  0.00000000       0.007
   0.16360968  0.16360968  0.00000000       0.007
   0.16120366  0.16120366 -0.00000000       0.007
   0.15879763  0.15879763 -0.00000000       0.007
   0.15639161  0.15639161 -0.00000000       0.007
   0.15398558  0.15398558  0.00000000       0.007
   0.15157956  0.15157956 -0.00000000       0.007
   0.14917353  0.14917353  0.00000000       0.007
   0.14676751  0.14676751  0.00000000       0.007
   0.14436148  0.14436148  0.00000000       0.007
   0.14195546  0.14195546 -0.00000000       0.007
   0.13954943  0.13954943 -0.00000000       0.007
   0.13714341  0.13714341 -0.00000000       0.007
   0.13714341  0.13714341 -0.00000000       0.007
   0.13233136  0.13233136 -0.00000000       0.007
   0.12751931  0.12751931  0.00000000       0.007
   0.12270726  0.12270726 -0.00000000       0.007
   0.11789521  0.11789521 -0.00000000       0.007
   0.11308316  0.11308316  0.00000000       0.007
   0.10827111  0.10827111  0.00000000       0.007
   0.10345906  0.10345906  0.00000000       0.007
   0.09864701  0.09864701 -0.00000000       0.007
   0.09383496  0.09383496  0.00000000       0.007
   0.08902291  0.08902291 -0.00000000       0.007
   0.08421087  0.08421087  0.00000000       0.007
   0.07939882  0.07939882 -0.00000000       0.007
   0.07458677  0.07458677 -0.00000000       0.007
   0.06977472  0.06977472 -0.00000000       0.007
   0.06496267  0.06496267  0.00000000       0.007
   0.06015062  0.06015062  0.00000000       0.007
   0.05533857  0.05533857  0.00000000       0.007
   0.05052652  0.05052652  0.00000000       0.007
   0.04571447  0.04571447  0.00000000       0.007
   0.04571447  0.04571447  0.00000000       0.007
   0.04330844  0.04330844 -0.00000000       0.007
   0.04090242  0.04090242  0.00000000       0.007
   0.03849640  0.03849640  0.00000000       0.007
   0.03609037  0.03609037  0.00000000       0.007
   0.03368435  0.03368435 -0.00000000       0.007
   0.03127832  0.03127832  0.00000000       0.007
   0.02887230  0.02887230  0.00000000       0.007
   0.02646627  0.02646627 -0.00000000       0.007
   0.02406025  0.02406025 -0.00000000       0.007
   0.02165422  0.02165422 -0.00000000       0.007
   0.01924820  0.01924820 -0.00000000       0.007
   0.01684217  0.01684217 -0.00000000       0.007
   0.01443615  0.01443615 -0.00000000       0.007
   0.01203012  0.01203012 -0.00000000       0.007
   0.00962410  0.00962410  0.00000000       0.007
   0.00721807  0.00721807  0.00000000       0.007
   0.00481205  0.00481205 -0.00000000       0.007
   0.00240602  0.00240602 -0.00000000       0.007
   0.00000000  0.00000000  0.00000000       0.007

 k-points in reciprocal lattice and weights: Cubic                                   
   0.50000000  0.00000000  0.50000000       0.007
   0.50000000  0.01315789  0.51315789       0.007
   0.50000000  0.02631579  0.52631579       0.007
   0.50000000  0.03947368  0.53947368       0.007
   0.50000000  0.05263158  0.55263158       0.007
   0.50000000  0.06578947  0.56578947       0.007
   0.50000000  0.07894737  0.57894737       0.007
   0.50000000  0.09210526  0.59210526       0.007
   0.50000000  0.10526316  0.60526316       0.007
   0.50000000  0.11842105  0.61842105       0.007
   0.50000000  0.13157895  0.63157895       0.007
   0.50000000  0.14473684  0.64473684       0.007
   0.50000000  0.15789474  0.65789474       0.007
   0.50000000  0.17105263  0.67105263       0.007
   0.50000000  0.18421053  0.68421053       0.007
   0.50000000  0.19736842  0.69736842       0.007
   0.50000000  0.21052632  0.71052632       0.007
   0.50000000  0.22368421  0.72368421       0.007
   0.50000000  0.23684211  0.73684211       0.007
   0.50000000  0.25000000  0.75000000       0.007
   0.50000000  0.25000000  0.75000000       0.007
   0.50000000  0.26315789  0.73684211       0.007
   0.50000000  0.27631579  0.72368421       0.007
   0.50000000  0.28947368  0.71052632       0.007
   0.50000000  0.30263158  0.69736842       0.007
   0.50000000  0.31578947  0.68421053       0.007
   0.50000000  0.32894737  0.67105263       0.007
   0.50000000  0.34210526  0.65789474       0.007
   0.50000000  0.35526316  0.64473684       0.007
   0.50000000  0.36842105  0.63157895       0.007
   0.50000000  0.38157895  0.61842105       0.007
   0.50000000  0.39473684  0.60526316       0.007
   0.50000000  0.40789474  0.59210526       0.007
   0.50000000  0.42105263  0.57894737       0.007
   0.50000000  0.43421053  0.56578947       0.007
   0.50000000  0.44736842  0.55263158       0.007
   0.50000000  0.46052632  0.53947368       0.007
   0.50000000  0.47368421  0.52631579       0.007
   0.50000000  0.48684211  0.51315789       0.007
   0.50000000  0.50000000  0.50000000       0.007
   0.50000000  0.50000000  0.50000000       0.007
   0.47368421  0.47368421  0.47368421       0.007
   0.44736842  0.44736842  0.44736842       0.007
   0.42105263  0.42105263  0.42105263       0.007
   0.39473684  0.39473684  0.39473684       0.007
   0.36842105  0.36842105  0.36842105       0.007
   0.34210526  0.34210526  0.34210526       0.007
   0.31578947  0.31578947  0.31578947       0.007
   0.28947368  0.28947368  0.28947368       0.007
   0.26315789  0.26315789  0.26315789       0.007
   0.23684211  0.23684211  0.23684211       0.007
   0.21052632  0.21052632  0.21052632       0.007
   0.18421053  0.18421053  0.18421053       0.007
   0.15789474  0.15789474  0.15789474       0.007
   0.13157895  0.13157895  0.13157895       0.007
   0.10526316  0.10526316  0.10526316       0.007
   0.07894737  0.07894737  0.07894737       0.007
   0.05263158  0.05263158  0.05263158       0.007
   0.02631579  0.02631579  0.02631579       0.007
   0.00000000  0.00000000  0.00000000       0.007
   0.00000000  0.00000000  0.00000000       0.007
   0.02631579  0.00000000  0.02631579       0.007
   0.05263158  0.00000000  0.05263158       0.007
   0.07894737  0.00000000  0.07894737       0.007
   0.10526316  0.00000000  0.10526316       0.007
   0.13157895  0.00000000  0.13157895       0.007
   0.15789474  0.00000000  0.15789474       0.007
   0.18421053  0.00000000  0.18421053       0.007
   0.21052632  0.00000000  0.21052632       0.007
   0.23684211  0.00000000  0.23684211       0.007
   0.26315789  0.00000000  0.26315789       0.007
   0.28947368  0.00000000  0.28947368       0.007
   0.31578947  0.00000000  0.31578947       0.007
   0.34210526  0.00000000  0.34210526       0.007
   0.36842105  0.00000000  0.36842105       0.007
   0.39473684  0.00000000  0.39473684       0.007
   0.42105263  0.00000000  0.42105263       0.007
   0.44736842  0.00000000  0.44736842       0.007
   0.47368421  0.00000000  0.47368421       0.007
   0.50000000  0.00000000  0.50000000       0.007
   0.50000000  0.50000000  1.00000000       0.007
   0.49342105  0.49342105  0.98684211       0.007
   0.48684211  0.48684211  0.97368421       0.007
   0.48026316  0.48026316  0.96052632       0.007
   0.47368421  0.47368421  0.94736842       0.007
   0.46710526  0.46710526  0.93421053       0.007
   0.46052632  0.46052632  0.92105263       0.007
   0.45394737  0.45394737  0.90789474       0.007
   0.44736842  0.44736842  0.89473684       0.007
   0.44078947  0.44078947  0.88157895       0.007
   0.43421053  0.43421053  0.86842105       0.007
   0.42763158  0.42763158  0.85526316       0.007
   0.42105263  0.42105263  0.84210526       0.007
   0.41447368  0.41447368  0.82894737       0.007
   0.40789474  0.40789474  0.81578947       0.007
   0.40131579  0.40131579  0.80263158       0.007
   0.39473684  0.39473684  0.78947368       0.007
   0.38815789  0.38815789  0.77631579       0.007
   0.38157895  0.38157895  0.76315789       0.007
   0.37500000  0.37500000  0.75000000       0.007
   0.37500000  0.37500000  0.75000000       0.007
   0.36184211  0.36184211  0.72368421       0.007
   0.34868421  0.34868421  0.69736842       0.007
   0.33552632  0.33552632  0.67105263       0.007
   0.32236842  0.32236842  0.64473684       0.007
   0.30921053  0.30921053  0.61842105       0.007
   0.29605263  0.29605263  0.59210526       0.007
   0.28289474  0.28289474  0.56578947       0.007
   0.26973684  0.26973684  0.53947368       0.007
   0.25657895  0.25657895  0.51315789       0.007
   0.24342105  0.24342105  0.48684211       0.007
   0.23026316  0.23026316  0.46052632       0.007
   0.21710526  0.21710526  0.43421053       0.007
   0.20394737  0.20394737  0.40789474       0.007
   0.19078947  0.19078947  0.38157895       0.007
   0.17763158  0.17763158  0.35526316       0.007
   0.16447368  0.16447368  0.32894737       0.007
   0.15131579  0.15131579  0.30263158       0.007
   0.13815789  0.13815789  0.27631579       0.007
   0.12500000  0.12500000  0.25000000       0.007
   0.12500000  0.12500000  0.25000000       0.007
   0.11842105  0.11842105  0.23684211       0.007
   0.11184211  0.11184211  0.22368421       0.007
   0.10526316  0.10526316  0.21052632       0.007
   0.09868421  0.09868421  0.19736842       0.007
   0.09210526  0.09210526  0.18421053       0.007
   0.08552632  0.08552632  0.17105263       0.007
   0.07894737  0.07894737  0.15789474       0.007
   0.07236842  0.07236842  0.14473684       0.007
   0.06578947  0.06578947  0.13157895       0.007
   0.05921053  0.05921053  0.11842105       0.007
   0.05263158  0.05263158  0.10526316       0.007
   0.04605263  0.04605263  0.09210526       0.007
   0.03947368  0.03947368  0.07894737       0.007
   0.03289474  0.03289474  0.06578947       0.007
   0.02631579  0.02631579  0.05263158       0.007
   0.01973684  0.01973684  0.03947368       0.007
   0.01315789  0.01315789  0.02631579       0.007
   0.00657895  0.00657895  0.01315789       0.007
   0.00000000  0.00000000  0.00000000       0.007

 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.25000000  0.25000000  0.25000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.36718200  1.36718200  1.36718200

 Euler angles ALPHA=     0.0000000  BETA=     0.0000000

 transformation matrix from SAXIS to cartesian coordinates
 ---------------------------------------------------------
     1.0000000 m_x    -0.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
    -0.0000000 m_x     0.0000000 m_y     1.0000000 m_z

 transformation matrix from cartesian coordinates to SAXIS
 ---------------------------------------------------------
     1.0000000 m_x     0.0000000 m_y    -0.0000000 m_z
    -0.0000000 m_x     1.0000000 m_y     0.0000000 m_z
     0.0000000 m_x     0.0000000 m_y     1.0000000 m_z




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


 k-point   1 :   0.5000 0.0000 0.5000  plane waves:     184
 k-point   2 :   0.5000 0.0132 0.5132  plane waves:     184
 k-point   3 :   0.5000 0.0263 0.5263  plane waves:     184
 k-point   4 :   0.5000 0.0395 0.5395  plane waves:     184
 k-point   5 :   0.5000 0.0526 0.5526  plane waves:     184
 k-point   6 :   0.5000 0.0658 0.5658  plane waves:     184
 k-point   7 :   0.5000 0.0789 0.5789  plane waves:     192
 k-point   8 :   0.5000 0.0921 0.5921  plane waves:     192
 k-point   9 :   0.5000 0.1053 0.6053  plane waves:     192
 k-point  10 :   0.5000 0.1184 0.6184  plane waves:     192
 k-point  11 :   0.5000 0.1316 0.6316  plane waves:     192
 k-point  12 :   0.5000 0.1447 0.6447  plane waves:     192
 k-point  13 :   0.5000 0.1579 0.6579  plane waves:     196
 k-point  14 :   0.5000 0.1711 0.6711  plane waves:     196
 k-point  15 :   0.5000 0.1842 0.6842  plane waves:     192
 k-point  16 :   0.5000 0.1974 0.6974  plane waves:     200
 k-point  17 :   0.5000 0.2105 0.7105  plane waves:     200
 k-point  18 :   0.5000 0.2237 0.7237  plane waves:     200
 k-point  19 :   0.5000 0.2368 0.7368  plane waves:     200
 k-point  20 :   0.5000 0.2500 0.7500  plane waves:     200
 k-point  21 :   0.5000 0.2500 0.7500  plane waves:     200
 k-point  22 :   0.5000 0.2632 0.7368  plane waves:     200
 k-point  23 :   0.5000 0.2763 0.7237  plane waves:     200
 k-point  24 :   0.5000 0.2895 0.7105  plane waves:     192
 k-point  25 :   0.5000 0.3026 0.6974  plane waves:     188
 k-point  26 :   0.5000 0.3158 0.6842  plane waves:     188
 k-point  27 :   0.5000 0.3289 0.6711  plane waves:     188
 k-point  28 :   0.5000 0.3421 0.6579  plane waves:     188
 k-point  29 :   0.5000 0.3553 0.6447  plane waves:     188
 k-point  30 :   0.5000 0.3684 0.6316  plane waves:     188
 k-point  31 :   0.5000 0.3816 0.6184  plane waves:     184
 k-point  32 :   0.5000 0.3947 0.6053  plane waves:     184
 k-point  33 :   0.5000 0.4079 0.5921  plane waves:     184
 k-point  34 :   0.5000 0.4211 0.5789  plane waves:     184
 k-point  35 :   0.5000 0.4342 0.5658  plane waves:     188
 k-point  36 :   0.5000 0.4474 0.5526  plane waves:     180
 k-point  37 :   0.5000 0.4605 0.5395  plane waves:     184
 k-point  38 :   0.5000 0.4737 0.5263  plane waves:     180
 k-point  39 :   0.5000 0.4868 0.5132  plane waves:     180
 k-point  40 :   0.5000 0.5000 0.5000  plane waves:     180
 k-point  41 :   0.5000 0.5000 0.5000  plane waves:     180
 k-point  42 :   0.4737 0.4737 0.4737  plane waves:     180
 k-point  43 :   0.4474 0.4474 0.4474  plane waves:     180
 k-point  44 :   0.4211 0.4211 0.4211  plane waves:     178
 k-point  45 :   0.3947 0.3947 0.3947  plane waves:     184
 k-point  46 :   0.3684 0.3684 0.3684  plane waves:     184
 k-point  47 :   0.3421 0.3421 0.3421  plane waves:     184
 k-point  48 :   0.3158 0.3158 0.3158  plane waves:     184
 k-point  49 :   0.2895 0.2895 0.2895  plane waves:     196
 k-point  50 :   0.2632 0.2632 0.2632  plane waves:     190
 k-point  51 :   0.2368 0.2368 0.2368  plane waves:     190
 k-point  52 :   0.2105 0.2105 0.2105  plane waves:     190
 k-point  53 :   0.1842 0.1842 0.1842  plane waves:     190
 k-point  54 :   0.1579 0.1579 0.1579  plane waves:     190
 k-point  55 :   0.1316 0.1316 0.1316  plane waves:     190
 k-point  56 :   0.1053 0.1053 0.1053  plane waves:     190
 k-point  57 :   0.0789 0.0789 0.0789  plane waves:     196
 k-point  58 :   0.0526 0.0526 0.0526  plane waves:     202
 k-point  59 :   0.0263 0.0263 0.0263  plane waves:     190
 k-point  60 :   0.0000 0.0000 0.0000  plane waves:     178
 k-point  61 :   0.0000 0.0000 0.0000  plane waves:     178
 k-point  62 :   0.0263 0.0000 0.0263  plane waves:     194
 k-point  63 :   0.0526 0.0000 0.0526  plane waves:     194
 k-point  64 :   0.0789 0.0000 0.0789  plane waves:     178
 k-point  65 :   0.1053 0.0000 0.1053  plane waves:     178
 k-point  66 :   0.1316 0.0000 0.1316  plane waves:     178
 k-point  67 :   0.1579 0.0000 0.1579  plane waves:     178
 k-point  68 :   0.1842 0.0000 0.1842  plane waves:     178
 k-point  69 :   0.2105 0.0000 0.2105  plane waves:     170
 k-point  70 :   0.2368 0.0000 0.2368  plane waves:     168
 k-point  71 :   0.2632 0.0000 0.2632  plane waves:     168
 k-point  72 :   0.2895 0.0000 0.2895  plane waves:     176
 k-point  73 :   0.3158 0.0000 0.3158  plane waves:     176
 k-point  74 :   0.3421 0.0000 0.3421  plane waves:     176
 k-point  75 :   0.3684 0.0000 0.3684  plane waves:     176
 k-point  76 :   0.3947 0.0000 0.3947  plane waves:     184
 k-point  77 :   0.4211 0.0000 0.4211  plane waves:     184
 k-point  78 :   0.4474 0.0000 0.4474  plane waves:     184
 k-point  79 :   0.4737 0.0000 0.4737  plane waves:     184
 k-point  80 :   0.5000 0.0000 0.5000  plane waves:     184
 k-point  81 :   0.5000 0.5000 1.0000  plane waves:     184
 k-point  82 :   0.4934 0.4934 0.9868  plane waves:     184
 k-point  83 :   0.4868 0.4868 0.9737  plane waves:     184
 k-point  84 :   0.4803 0.4803 0.9605  plane waves:     184
 k-point  85 :   0.4737 0.4737 0.9474  plane waves:     184
 k-point  86 :   0.4671 0.4671 0.9342  plane waves:     184
 k-point  87 :   0.4605 0.4605 0.9211  plane waves:     184
 k-point  88 :   0.4539 0.4539 0.9079  plane waves:     184
 k-point  89 :   0.4474 0.4474 0.8947  plane waves:     192
 k-point  90 :   0.4408 0.4408 0.8816  plane waves:     192
 k-point  91 :   0.4342 0.4342 0.8684  plane waves:     192
 k-point  92 :   0.4276 0.4276 0.8553  plane waves:     192
 k-point  93 :   0.4211 0.4211 0.8421  plane waves:     190
 k-point  94 :   0.4145 0.4145 0.8289  plane waves:     190
 k-point  95 :   0.4079 0.4079 0.8158  plane waves:     194
 k-point  96 :   0.4013 0.4013 0.8026  plane waves:     194
 k-point  97 :   0.3947 0.3947 0.7895  plane waves:     194
 k-point  98 :   0.3882 0.3882 0.7763  plane waves:     194
 k-point  99 :   0.3816 0.3816 0.7632  plane waves:     194
 k-point 100 :   0.3750 0.3750 0.7500  plane waves:     194
 k-point 101 :   0.3750 0.3750 0.7500  plane waves:     194
 k-point 102 :   0.3618 0.3618 0.7237  plane waves:     194
 k-point 103 :   0.3487 0.3487 0.6974  plane waves:     194
 k-point 104 :   0.3355 0.3355 0.6711  plane waves:     194
 k-point 105 :   0.3224 0.3224 0.6447  plane waves:     190
 k-point 106 :   0.3092 0.3092 0.6184  plane waves:     190
 k-point 107 :   0.2961 0.2961 0.5921  plane waves:     186
 k-point 108 :   0.2829 0.2829 0.5658  plane waves:     186
 k-point 109 :   0.2697 0.2697 0.5395  plane waves:     186
 k-point 110 :   0.2566 0.2566 0.5132  plane waves:     186
 k-point 111 :   0.2434 0.2434 0.4868  plane waves:     186
 k-point 112 :   0.2303 0.2303 0.4605  plane waves:     186
 k-point 113 :   0.2171 0.2171 0.4342  plane waves:     190
 k-point 114 :   0.2039 0.2039 0.4079  plane waves:     190
 k-point 115 :   0.1908 0.1908 0.3816  plane waves:     190
 k-point 116 :   0.1776 0.1776 0.3553  plane waves:     182
 k-point 117 :   0.1645 0.1645 0.3289  plane waves:     182
 k-point 118 :   0.1513 0.1513 0.3026  plane waves:     182
 k-point 119 :   0.1382 0.1382 0.2763  plane waves:     182
 k-point 120 :   0.1250 0.1250 0.2500  plane waves:     182
 k-point 121 :   0.1250 0.1250 0.2500  plane waves:     182
 k-point 122 :   0.1184 0.1184 0.2368  plane waves:     182
 k-point 123 :   0.1118 0.1118 0.2237  plane waves:     182
 k-point 124 :   0.1053 0.1053 0.2105  plane waves:     182
 k-point 125 :   0.0987 0.0987 0.1974  plane waves:     190
 k-point 126 :   0.0921 0.0921 0.1842  plane waves:     190
 k-point 127 :   0.0855 0.0855 0.1711  plane waves:     190
 k-point 128 :   0.0789 0.0789 0.1579  plane waves:     190
 k-point 129 :   0.0724 0.0724 0.1447  plane waves:     190
 k-point 130 :   0.0658 0.0658 0.1316  plane waves:     190
 k-point 131 :   0.0592 0.0592 0.1184  plane waves:     190
 k-point 132 :   0.0526 0.0526 0.1053  plane waves:     198
 k-point 133 :   0.0461 0.0461 0.0921  plane waves:     198
 k-point 134 :   0.0395 0.0395 0.0789  plane waves:     198
 k-point 135 :   0.0329 0.0329 0.0658  plane waves:     202
 k-point 136 :   0.0263 0.0263 0.0526  plane waves:     202
 k-point 137 :   0.0197 0.0197 0.0395  plane waves:     202
 k-point 138 :   0.0132 0.0132 0.0263  plane waves:     190
 k-point 139 :   0.0066 0.0066 0.0132  plane waves:     182
 k-point 140 :   0.0000 0.0000 0.0000  plane waves:     178

 maximum and minimum number of plane-waves per node :       202      168

 maximum number of plane-waves:       202
 maximum index in each direction: 
   IXMAX=    3   IYMAX=    3   IZMAX=    3
   IXMIN=   -3   IYMIN=   -3   IZMIN=   -4


 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 MPI-rank0    47122. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :        908. kBytes
   fftplans  :       1488. kBytes
   grid      :       5268. kBytes
   one-center:         24. kBytes
   wavefun   :       9434. kBytes

     INWAV:  cpu time      0.0031: real time      0.0031
 initial charge density was supplied:
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         2171 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.514
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time      0.0040: real time      0.0004


--------------------------------------- Ionic step        1  -------------------------------------------




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


    POTLOK:  cpu time      0.2697: real time      0.0239
    SETDIJ:  cpu time      0.0702: real time      0.0060
     EDDAV:  cpu time     33.8195: real time      2.9927
       DOS:  cpu time      0.0641: real time      0.0063
    --------------------------------------------
      LOOP:  cpu time     34.2237: real time      3.0289

 eigenvalue-minimisations  :  7768
 total energy-change (2. order) :-0.3117093E+01  (-0.2542885E+02)
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 augmentation part        8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29318037
  Ewald energy   TEWEN  =      -226.94490223
  -Hartree energ DENC   =       -17.25575180
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.73652799
  PAW double counting   =      2243.07830850    -2208.11987013
  entropy T*S    EENTRO =        -0.00010591
  eigenvalues    EBANDS =        14.67742595
  atomic energy  EATOM  =       205.89114989
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -3.11709334 eV

  energy without entropy =       -3.11698743  energy(sigma->0) =       -3.11704039


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




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


     EDDAV:  cpu time     53.5833: real time      5.2958
       DOS:  cpu time      0.0508: real time      0.0044
    --------------------------------------------
      LOOP:  cpu time     53.6340: real time      5.3002

 eigenvalue-minimisations  :  6230
 total energy-change (2. order) :-0.4702043E+01  (-0.4398514E+01)
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 augmentation part        8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29318037
  Ewald energy   TEWEN  =      -226.94490223
  -Hartree energ DENC   =       -17.25575180
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.73652799
  PAW double counting   =      2243.07830850    -2208.11987013
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.97527685
  atomic energy  EATOM  =       205.89114989
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.81913653 eV

  energy without entropy =       -7.81913653  energy(sigma->0) =       -7.81913653


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




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


     EDDAV:  cpu time     52.2622: real time      4.7498
       DOS:  cpu time      0.0518: real time      0.0050
    --------------------------------------------
      LOOP:  cpu time     52.3140: real time      4.7548

 eigenvalue-minimisations  :  6162
 total energy-change (2. order) :-0.1001765E+00  (-0.9999915E-01)
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 augmentation part        8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29318037
  Ewald energy   TEWEN  =      -226.94490223
  -Hartree energ DENC   =       -17.25575180
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.73652799
  PAW double counting   =      2243.07830850    -2208.11987013
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.87510034
  atomic energy  EATOM  =       205.89114989
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91931304 eV

  energy without entropy =       -7.91931304  energy(sigma->0) =       -7.91931304


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




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


     EDDAV:  cpu time     55.1383: real time      5.2587
       DOS:  cpu time      0.0518: real time      0.0044
    --------------------------------------------
      LOOP:  cpu time     55.1900: real time      5.2630

 eigenvalue-minimisations  :  6302
 total energy-change (2. order) :-0.2025931E-03  (-0.2025666E-03)
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 augmentation part        8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29318037
  Ewald energy   TEWEN  =      -226.94490223
  -Hartree energ DENC   =       -17.25575180
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.73652799
  PAW double counting   =      2243.07830850    -2208.11987013
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.87489775
  atomic energy  EATOM  =       205.89114989
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91951563 eV

  energy without entropy =       -7.91951563  energy(sigma->0) =       -7.91951563


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




--------------------------------------- Iteration      1(   5)  ---------------------------------------


     EDDAV:  cpu time     52.8451: real time      5.0631
       DOS:  cpu time      0.0532: real time      0.0047



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.675   1.045   0.000   1.720
    2        0.675   1.045   0.000   1.720
--------------------------------------------------
tot          1.351   2.090   0.000   3.441



 magnetization (x)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000   0.000
    2        0.000  -0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (y)

# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000   0.000  -0.000
    2       -0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (z)

# of ion       s       p       d       tot
------------------------------------------
    1        0.000  -0.000   0.000  -0.000
    2       -0.000   0.000   0.000   0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000

    --------------------------------------------
      LOOP:  cpu time     53.0255: real time      5.0789

 eigenvalue-minimisations  :  5594
 total energy-change (2. order) :-0.7201040E-06  (-0.7196355E-06)
 number of electron       8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003
 augmentation part        8.0000019 magnetization      -0.0000003     -0.0000003     -0.0000003

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29318037
  Ewald energy   TEWEN  =      -226.94490223
  -Hartree energ DENC   =       -17.25575180
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -17.73652799
  PAW double counting   =      2243.07830850    -2208.11987013
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         9.87489703
  atomic energy  EATOM  =       205.89114989
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.91951635 eV

  energy without entropy =       -7.91951635  energy(sigma->0) =       -7.91951635


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




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.1815       2 -83.1815



 E-fermi :   6.2020     XC(G=0):  -9.1489     alpha+bet :-11.7317

 Fermi energy:         6.2020324900

 k-point     1 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -1.8662      1.00000
      2      -1.8662      1.00000
      3      -1.8662      1.00000
      4      -1.8662      1.00000
      5       3.0896      1.00000
      6       3.0896      1.00000
      7       3.0896      1.00000
      8       3.0896      1.00000
      9       6.7115      0.00000
     10       6.7115      0.00000
     11       6.7115      0.00000
     12       6.7115      0.00000
     13      16.0234      0.00000
     14      16.0235      0.00000
     15      16.0235      0.00000
     16      16.0235      0.00000
     17      17.7868      0.00000
     18      17.7868      0.00000

 k-point     2 :       0.5000    0.0132    0.5132
  band No.  band energies     occupation 
      1      -1.8654      1.00000
      2      -1.8654      1.00000
      3      -1.8651      1.00000
      4      -1.8651      1.00000
      5       3.0798      1.00000
      6       3.0798      1.00000
      7       3.0812      1.00000
      8       3.0812      1.00000
      9       6.7278      0.00000
     10       6.7278      0.00000
     11       6.7288      0.00000
     12       6.7288      0.00000
     13      15.9977      0.00000
     14      15.9977      0.00000
     15      16.0003      0.00000
     16      16.0003      0.00000
     17      17.7116      0.00000
     18      17.7134      0.00000

 k-point     3 :       0.5000    0.0263    0.5263
  band No.  band energies     occupation 
      1      -1.8626      1.00000
      2      -1.8626      1.00000
      3      -1.8619      1.00000
      4      -1.8619      1.00000
      5       3.0525      1.00000
      6       3.0525      1.00000
      7       3.0551      1.00000
      8       3.0551      1.00000
      9       6.7773      0.00000
     10       6.7773      0.00000
     11       6.7792      0.00000
     12       6.7792      0.00000
     13      15.9206      0.00000
     14      15.9206      0.00000
     15      15.9258      0.00000
     16      15.9258      0.00000
     17      17.5516      0.00000
     18      17.5552      0.00000

 k-point     4 :       0.5000    0.0395    0.5395
  band No.  band energies     occupation 
      1      -1.8578      1.00000
      2      -1.8578      1.00000
      3      -1.8568      1.00000
      4      -1.8568      1.00000
      5       3.0094      1.00000
      6       3.0094      1.00000
      7       3.0132      1.00000
      8       3.0132      1.00000
      9       6.8582      0.00000
     10       6.8582      0.00000
     11       6.8610      0.00000
     12       6.8610      0.00000
     13      15.7877      0.00000
     14      15.7878      0.00000
     15      15.7953      0.00000
     16      15.7954      0.00000
     17      17.3823      0.00000
     18      17.3877      0.00000

 k-point     5 :       0.5000    0.0526    0.5526
  band No.  band energies     occupation 
      1      -1.8512      1.00000
      2      -1.8512      1.00000
      3      -1.8499      1.00000
      4      -1.8499      1.00000
      5       2.9528      1.00000
      6       2.9528      1.00000
      7       2.9577      1.00000
      8       2.9577      1.00000
      9       6.9682      0.00000
     10       6.9682      0.00000
     11       6.9717      0.00000
     12       6.9718      0.00000
     13      15.5980      0.00000
     14      15.5986      0.00000
     15      15.6074      0.00000
     16      15.6081      0.00000
     17      17.2400      0.00000
     18      17.2436      0.00000

 k-point     6 :       0.5000    0.0658    0.5658
  band No.  band energies     occupation 
      1      -1.8429      1.00000
      2      -1.8429      1.00000
      3      -1.8412      1.00000
      4      -1.8412      1.00000
      5       2.8858      1.00000
      6       2.8858      1.00000
      7       2.8916      1.00000
      8       2.8917      1.00000
      9       7.1044      0.00000
     10       7.1044      0.00000
     11       7.1087      0.00000
     12       7.1087      0.00000
     13      15.3575      0.00000
     14      15.3591      0.00000
     15      15.3680      0.00000
     16      15.3705      0.00000
     17      17.1305      0.00000
     18      17.1401      0.00000

 k-point     7 :       0.5000    0.0789    0.5789
  band No.  band energies     occupation 
      1      -1.8360      1.00000
      2      -1.8360      1.00000
      3      -1.8339      1.00000
      4      -1.8339      1.00000
      5       2.8006      1.00000
      6       2.8006      1.00000
      7       2.8074      1.00000
      8       2.8074      1.00000
      9       7.2593      0.00000
     10       7.2593      0.00000
     11       7.2640      0.00000
     12       7.2640      0.00000
     13      15.0344      0.00000
     14      15.0352      0.00000
     15      15.0452      0.00000
     16      15.0461      0.00000
     17      17.0546      0.00000
     18      17.0610      0.00000

 k-point     8 :       0.5000    0.0921    0.5921
  band No.  band energies     occupation 
      1      -1.8249      1.00000
      2      -1.8249      1.00000
      3      -1.8226      1.00000
      4      -1.8226      1.00000
      5       2.7212      1.00000
      6       2.7212      1.00000
      7       2.7287      1.00000
      8       2.7287      1.00000
      9       7.4399      0.00000
     10       7.4399      0.00000
     11       7.4451      0.00000
     12       7.4451      0.00000
     13      14.7264      0.00000
     14      14.7265      0.00000
     15      14.7373      0.00000
     16      14.7374      0.00000
     17      17.0053      0.00000
     18      17.0121      0.00000

 k-point     9 :       0.5000    0.1053    0.6053
  band No.  band energies     occupation 
      1      -1.8129      1.00000
      2      -1.8129      1.00000
      3      -1.8102      1.00000
      4      -1.8102      1.00000
      5       2.6397      1.00000
      6       2.6397      1.00000
      7       2.6479      1.00000
      8       2.6479      1.00000
      9       7.6387      0.00000
     10       7.6387      0.00000
     11       7.6442      0.00000
     12       7.6442      0.00000
     13      14.4016      0.00000
     14      14.4017      0.00000
     15      14.4124      0.00000
     16      14.4125      0.00000
     17      16.9724      0.00000
     18      16.9787      0.00000

 k-point    10 :       0.5000    0.1184    0.6184
  band No.  band energies     occupation 
      1      -1.8001      1.00000
      2      -1.8001      1.00000
      3      -1.7972      1.00000
      4      -1.7971      1.00000
      5       2.5585      1.00000
      6       2.5585      1.00000
      7       2.5673      1.00000
      8       2.5673      1.00000
      9       7.8535      0.00000
     10       7.8536      0.00000
     11       7.8594      0.00000
     12       7.8594      0.00000
     13      14.0667      0.00000
     14      14.0670      0.00000
     15      14.0773      0.00000
     16      14.0776      0.00000
     17      16.9501      0.00000
     18      16.9567      0.00000

 k-point    11 :       0.5000    0.1316    0.6316
  band No.  band energies     occupation 
      1      -1.7870      1.00000
      2      -1.7870      1.00000
      3      -1.7837      1.00000
      4      -1.7837      1.00000
      5       2.4796      1.00000
      6       2.4796      1.00000
      7       2.4889      1.00000
      8       2.4889      1.00000
      9       8.0827      0.00000
     10       8.0827      0.00000
     11       8.0887      0.00000
     12       8.0887      0.00000
     13      13.7260      0.00000
     14      13.7261      0.00000
     15      13.7364      0.00000
     16      13.7365      0.00000
     17      16.9348      0.00000
     18      16.9425      0.00000

 k-point    12 :       0.5000    0.1447    0.6447
  band No.  band energies     occupation 
      1      -1.7738      1.00000
      2      -1.7738      1.00000
      3      -1.7702      1.00000
      4      -1.7702      1.00000
      5       2.4046      1.00000
      6       2.4046      1.00000
      7       2.4144      1.00000
      8       2.4144      1.00000
      9       8.3244      0.00000
     10       8.3244      0.00000
     11       8.3306      0.00000
     12       8.3306      0.00000
     13      13.3829      0.00000
     14      13.3829      0.00000
     15      13.3931      0.00000
     16      13.3931      0.00000
     17      16.9245      0.00000
     18      16.9339      0.00000

 k-point    13 :       0.5000    0.1579    0.6579
  band No.  band energies     occupation 
      1      -1.7642      1.00000
      2      -1.7642      1.00000
      3      -1.7603      1.00000
      4      -1.7603      1.00000
      5       2.3280      1.00000
      6       2.3280      1.00000
      7       2.3383      1.00000
      8       2.3383      1.00000
      9       8.6097      0.00000
     10       8.6097      0.00000
     11       8.6159      0.00000
     12       8.6159      0.00000
     13      13.0311      0.00000
     14      13.0311      0.00000
     15      13.0412      0.00000
     16      13.0412      0.00000
     17      16.8961      0.00000
     18      16.9065      0.00000

 k-point    14 :       0.5000    0.1711    0.6711
  band No.  band energies     occupation 
      1      -1.7521      1.00000
      2      -1.7521      1.00000
      3      -1.7479      1.00000
      4      -1.7479      1.00000
      5       2.2651      1.00000
      6       2.2651      1.00000
      7       2.2757      1.00000
      8       2.2757      1.00000
      9       8.8738      0.00000
     10       8.8738      0.00000
     11       8.8800      0.00000
     12       8.8800      0.00000
     13      12.6890      0.00000
     14      12.6890      0.00000
     15      12.6990      0.00000
     16      12.6991      0.00000
     17      16.8937      0.00000
     18      16.9035      0.00000

 k-point    15 :       0.5000    0.1842    0.6842
  band No.  band energies     occupation 
      1      -1.7407      1.00000
      2      -1.7407      1.00000
      3      -1.7363      1.00000
      4      -1.7363      1.00000
      5       2.2123      1.00000
      6       2.2123      1.00000
      7       2.2233      1.00000
      8       2.2233      1.00000
      9       9.1493      0.00000
     10       9.1493      0.00000
     11       9.1554      0.00000
     12       9.1554      0.00000
     13      12.3504      0.00000
     14      12.3504      0.00000
     15      12.3605      0.00000
     16      12.3605      0.00000
     17      16.8977      0.00000
     18      16.9017      0.00000

 k-point    16 :       0.5000    0.1974    0.6974
  band No.  band energies     occupation 
      1      -1.7376      1.00000
      2      -1.7376      1.00000
      3      -1.7329      1.00000
      4      -1.7329      1.00000
      5       2.1650      1.00000
      6       2.1650      1.00000
      7       2.1763      1.00000
      8       2.1763      1.00000
      9       9.4174      0.00000
     10       9.4174      0.00000
     11       9.4233      0.00000
     12       9.4233      0.00000
     13      11.9997      0.00000
     14      11.9997      0.00000
     15      12.0100      0.00000
     16      12.0100      0.00000
     17      16.8397      0.00000
     18      16.8442      0.00000

 k-point    17 :       0.5000    0.2105    0.7105
  band No.  band energies     occupation 
      1      -1.7299      1.00000
      2      -1.7299      1.00000
      3      -1.7250      1.00000
      4      -1.7250      1.00000
      5       2.1282      1.00000
      6       2.1282      1.00000
      7       2.1396      1.00000
      8       2.1396      1.00000
      9       9.7016      0.00000
     10       9.7016      0.00000
     11       9.7071      0.00000
     12       9.7071      0.00000
     13      11.6732      0.00000
     14      11.6732      0.00000
     15      11.6839      0.00000
     16      11.6839      0.00000
     17      16.8358      0.00000
     18      16.8464      0.00000

 k-point    18 :       0.5000    0.2237    0.7237
  band No.  band energies     occupation 
      1      -1.7242      1.00000
      2      -1.7242      1.00000
      3      -1.7192      1.00000
      4      -1.7192      1.00000
      5       2.1015      1.00000
      6       2.1015      1.00000
      7       2.1131      1.00000
      8       2.1131      1.00000
      9       9.9853      0.00000
     10       9.9853      0.00000
     11       9.9901      0.00000
     12       9.9901      0.00000
     13      11.3593      0.00000
     14      11.3593      0.00000
     15      11.3707      0.00000
     16      11.3707      0.00000
     17      16.8355      0.00000
     18      16.8462      0.00000

 k-point    19 :       0.5000    0.2368    0.7368
  band No.  band energies     occupation 
      1      -1.7207      1.00000
      2      -1.7207      1.00000
      3      -1.7157      1.00000
      4      -1.7156      1.00000
      5       2.0853      1.00000
      6       2.0853      1.00000
      7       2.0970      1.00000
      8       2.0970      1.00000
      9      10.2501      0.00000
     10      10.2501      0.00000
     11      10.2529      0.00000
     12      10.2529      0.00000
     13      11.0764      0.00000
     14      11.0764      0.00000
     15      11.0897      0.00000
     16      11.0897      0.00000
     17      16.8354      0.00000
     18      16.8461      0.00000

 k-point    20 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -1.7195      1.00000
      2      -1.7195      1.00000
      3      -1.7144      1.00000
      4      -1.7144      1.00000
      5       2.0798      1.00000
      6       2.0798      1.00000
      7       2.0916      1.00000
      8       2.0916      1.00000
      9      10.3955      0.00000
     10      10.3955      0.00000
     11      10.3956      0.00000
     12      10.3957      0.00000
     13      10.9250      0.00000
     14      10.9250      0.00000
     15      10.9409      0.00000
     16      10.9409      0.00000
     17      16.8353      0.00000
     18      16.8461      0.00000

 k-point    21 :       0.5000    0.2500    0.7500
  band No.  band energies     occupation 
      1      -1.7195      1.00000
      2      -1.7195      1.00000
      3      -1.7144      1.00000
      4      -1.7144      1.00000
      5       2.0798      1.00000
      6       2.0798      1.00000
      7       2.0916      1.00000
      8       2.0916      1.00000
      9      10.3955      0.00000
     10      10.3955      0.00000
     11      10.3956      0.00000
     12      10.3957      0.00000
     13      10.9250      0.00000
     14      10.9250      0.00000
     15      10.9409      0.00000
     16      10.9409      0.00000
     17      16.8353      0.00000
     18      16.8461      0.00000

 k-point    22 :       0.5000    0.2632    0.7368
  band No.  band energies     occupation 
      1      -1.8880      1.00000
      2      -1.8880      1.00000
      3      -1.5492      1.00000
      4      -1.5492      1.00000
      5       1.9690      1.00000
      6       1.9690      1.00000
      7       2.2241      1.00000
      8       2.2241      1.00000
      9      10.2347      0.00000
     10      10.2347      0.00000
     11      10.4416      0.00000
     12      10.4416      0.00000
     13      10.8853      0.00000
     14      10.8853      0.00000
     15      11.1204      0.00000
     16      11.1204      0.00000
     17      16.4662      0.00000
     18      16.9107      0.00000

 k-point    23 :       0.5000    0.2763    0.7237
  band No.  band energies     occupation 
      1      -2.0589      1.00000
      2      -2.0589      1.00000
      3      -1.3891      1.00000
      4      -1.3891      1.00000
      5       1.8791      1.00000
      6       1.8791      1.00000
      7       2.3798      1.00000
      8       2.3798      1.00000
      9      10.0581      0.00000
     10      10.0581      0.00000
     11      10.3133      0.00000
     12      10.3133      0.00000
     13      11.0370      0.00000
     14      11.0370      0.00000
     15      11.3487      0.00000
     16      11.3487      0.00000
     17      16.0184      0.00000
     18      16.0934      0.00000

 k-point    24 :       0.5000    0.2895    0.7105
  band No.  band energies     occupation 
      1      -2.2194      1.00000
      2      -2.2194      1.00000
      3      -1.2394      1.00000
      4      -1.2394      1.00000
      5       1.8243      1.00000
      6       1.8243      1.00000
      7       2.5565      1.00000
      8       2.5565      1.00000
      9       9.8924      0.00000
     10       9.8924      0.00000
     11      10.1330      0.00000
     12      10.1330      0.00000
     13      11.2949      0.00000
     14      11.2949      0.00000
     15      11.6002      0.00000
     16      11.6003      0.00000
     17      15.5221      0.00000
     18      15.7340      0.00000

 k-point    25 :       0.5000    0.3026    0.6974
  band No.  band energies     occupation 
      1      -2.3802      1.00000
      2      -2.3802      1.00000
      3      -1.1105      1.00000
      4      -1.1105      1.00000
      5       1.8060      1.00000
      6       1.8060      1.00000
      7       2.7465      1.00000
      8       2.7465      1.00000
      9       9.7424      0.00000
     10       9.7424      0.00000
     11       9.9482      0.00000
     12       9.9483      0.00000
     13      11.5548      0.00000
     14      11.5548      0.00000
     15      11.8588      0.00000
     16      11.8588      0.00000
     17      15.0016      0.00000
     18      15.1426      0.00000

 k-point    26 :       0.5000    0.3158    0.6842
  band No.  band energies     occupation 
      1      -2.5375      1.00000
      2      -2.5375      1.00000
      3      -1.0050      1.00000
      4      -1.0050      1.00000
      5       1.8299      1.00000
      6       1.8299      1.00000
      7       2.9344      1.00000
      8       2.9344      1.00000
      9       9.6029      0.00000
     10       9.6029      0.00000
     11       9.7664      0.00000
     12       9.7664      0.00000
     13      11.8290      0.00000
     14      11.8290      0.00000
     15      12.1261      0.00000
     16      12.1262      0.00000
     17      14.4598      0.00000
     18      14.6100      0.00000

 k-point    27 :       0.5000    0.3289    0.6711
  band No.  band energies     occupation 
      1      -2.6870      1.00000
      2      -2.6870      1.00000
      3      -0.9263      1.00000
      4      -0.9263      1.00000
      5       1.9003      1.00000
      6       1.9003      1.00000
      7       3.1272      1.00000
      8       3.1272      1.00000
      9       9.4812      0.00000
     10       9.4812      0.00000
     11       9.5912      0.00000
     12       9.5912      0.00000
     13      12.1151      0.00000
     14      12.1151      0.00000
     15      12.4005      0.00000
     16      12.4005      0.00000
     17      13.9188      0.00000
     18      14.0366      0.00000

 k-point    28 :       0.5000    0.3421    0.6579
  band No.  band energies     occupation 
      1      -2.8277      1.00000
      2      -2.8277      1.00000
      3      -0.8750      1.00000
      4      -0.8750      1.00000
      5       2.0176      1.00000
      6       2.0176      1.00000
      7       3.3218      1.00000
      8       3.3218      1.00000
      9       9.3782      0.00000
     10       9.3783      0.00000
     11       9.4233      0.00000
     12       9.4233      0.00000
     13      12.3997      0.00000
     14      12.3997      0.00000
     15      12.6793      0.00000
     16      12.6793      0.00000
     17      13.3981      0.00000
     18      13.9410      0.00000

 k-point    29 :       0.5000    0.3553    0.6447
  band No.  band energies     occupation 
      1      -2.9589      1.00000
      2      -2.9589      1.00000
      3      -0.8486      1.00000
      4      -0.8486      1.00000
      5       2.1792      1.00000
      6       2.1792      1.00000
      7       3.5156      1.00000
      8       3.5156      1.00000
      9       9.2599      0.00000
     10       9.2599      0.00000
     11       9.2973      0.00000
     12       9.2973      0.00000
     13      12.5626      0.00000
     14      12.5627      0.00000
     15      12.9595      0.00000
     16      12.9630      0.00000
     17      13.0229      0.00000
     18      17.2478      0.00000

 k-point    30 :       0.5000    0.3684    0.6316
  band No.  band energies     occupation 
      1      -3.0801      1.00000
      2      -3.0801      1.00000
      3      -0.8427      1.00000
      4      -0.8427      1.00000
      5       2.3799      1.00000
      6       2.3799      1.00000
      7       3.7053      1.00000
      8       3.7054      1.00000
      9       9.1038      0.00000
     10       9.1038      0.00000
     11       9.2350      0.00000
     12       9.2350      0.00000
     13      12.2226      0.00000
     14      12.2226      0.00000
     15      13.1792      0.00000
     16      13.1959      0.00000
     17      13.2360      0.00000
     18      13.3043      0.00000

 k-point    31 :       0.5000    0.3816    0.6184
  band No.  band energies     occupation 
      1      -3.1871      1.00000
      2      -3.1871      1.00000
      3      -0.8509      1.00000
      4      -0.8509      1.00000
      5       2.6164      1.00000
      6       2.6164      1.00000
      7       3.8836      1.00000
      8       3.8836      1.00000
      9       8.9468      0.00000
     10       8.9468      0.00000
     11       9.1701      0.00000
     12       9.1701      0.00000
     13      11.7440      0.00000
     14      11.7440      0.00000
     15      13.5031      0.00000
     16      13.5174      0.00000
     17      13.5227      0.00000
     18      16.7795      0.00000

 k-point    32 :       0.5000    0.3947    0.6053
  band No.  band energies     occupation 
      1      -3.2871      1.00000
      2      -3.2871      1.00000
      3      -0.8704      1.00000
      4      -0.8704      1.00000
      5       2.8767      1.00000
      6       2.8767      1.00000
      7       4.0550      1.00000
      8       4.0550      1.00000
      9       8.7925      0.00000
     10       8.7925      0.00000
     11       9.1529      0.00000
     12       9.1529      0.00000
     13      11.2766      0.00000
     14      11.2766      0.00000
     15      13.7568      0.00000
     16      13.7598      0.00000
     17      13.8618      0.00000
     18      14.0169      0.00000

 k-point    33 :       0.5000    0.4079    0.5921
  band No.  band energies     occupation 
      1      -3.3758      1.00000
      2      -3.3758      1.00000
      3      -0.8957      1.00000
      4      -0.8957      1.00000
      5       3.1569      1.00000
      6       3.1569      1.00000
      7       4.2131      1.00000
      8       4.2131      1.00000
      9       8.6326      0.00000
     10       8.6326      0.00000
     11       9.1565      0.00000
     12       9.1565      0.00000
     13      10.8393      0.00000
     14      10.8393      0.00000
     15      13.9424      0.00000
     16      13.9441      0.00000
     17      14.2361      0.00000
     18      16.2851      0.00000

 k-point    34 :       0.5000    0.4211    0.5789
  band No.  band energies     occupation 
      1      -3.4530      1.00000
      2      -3.4530      1.00000
      3      -0.9231      1.00000
      4      -0.9231      1.00000
      5       3.4504      1.00000
      6       3.4504      1.00000
      7       4.3553      1.00000
      8       4.3553      1.00000
      9       8.4609      0.00000
     10       8.4609      0.00000
     11       9.1788      0.00000
     12       9.1788      0.00000
     13      10.4455      0.00000
     14      10.4455      0.00000
     15      14.0455      0.00000
     16      14.0455      0.00000
     17      14.6253      0.00000
     18      14.7393      0.00000

 k-point    35 :       0.5000    0.4342    0.5658
  band No.  band energies     occupation 
      1      -3.5188      1.00000
      2      -3.5188      1.00000
      3      -0.9501      1.00000
      4      -0.9501      1.00000
      5       3.7416      1.00000
      6       3.7416      1.00000
      7       4.4760      1.00000
      8       4.4760      1.00000
      9       8.2655      0.00000
     10       8.2655      0.00000
     11       9.1765      0.00000
     12       9.1765      0.00000
     13      10.1012      0.00000
     14      10.1012      0.00000
     15      14.0332      0.00000
     16      14.0332      0.00000
     17      15.0230      0.00000
     18      15.4915      0.00000

 k-point    36 :       0.5000    0.4474    0.5526
  band No.  band energies     occupation 
      1      -3.5702      1.00000
      2      -3.5702      1.00000
      3      -0.9732      1.00000
      4      -0.9732      1.00000
      5       4.0454      1.00000
      6       4.0454      1.00000
      7       4.5826      1.00000
      8       4.5826      1.00000
      9       8.0618      0.00000
     10       8.0618      0.00000
     11       9.2364      0.00000
     12       9.2364      0.00000
     13       9.8320      0.00000
     14       9.8320      0.00000
     15      13.9516      0.00000
     16      13.9517      0.00000
     17      15.5144      0.00000
     18      16.3231      0.00000

 k-point    37 :       0.5000    0.4605    0.5395
  band No.  band energies     occupation 
      1      -3.6124      1.00000
      2      -3.6124      1.00000
      3      -0.9935      1.00000
      4      -0.9935      1.00000
      5       4.3089      1.00000
      6       4.3089      1.00000
      7       4.6615      1.00000
      8       4.6615      1.00000
      9       7.8387      0.00000
     10       7.8387      0.00000
     11       9.2721      0.00000
     12       9.2721      0.00000
     13       9.5910      0.00000
     14       9.5910      0.00000
     15      13.8224      0.00000
     16      13.8224      0.00000
     17      15.9388      0.00000
     18      16.5374      0.00000

 k-point    38 :       0.5000    0.4737    0.5263
  band No.  band energies     occupation 
      1      -3.6405      1.00000
      2      -3.6405      1.00000
      3      -1.0080      1.00000
      4      -1.0080      1.00000
      5       4.5468      1.00000
      6       4.5468      1.00000
      7       4.7250      1.00000
      8       4.7250      1.00000
      9       7.6356      0.00000
     10       7.6356      0.00000
     11       9.3228      0.00000
     12       9.3228      0.00000
     13       9.4635      0.00000
     14       9.4635      0.00000
     15      13.7082      0.00000
     16      13.7083      0.00000
     17      16.4178      0.00000
     18      16.8365      0.00000

 k-point    39 :       0.5000    0.4868    0.5132
  band No.  band energies     occupation 
      1      -3.6587      1.00000
      2      -3.6587      1.00000
      3      -1.0173      1.00000
      4      -1.0173      1.00000
      5       4.7064      1.00000
      6       4.7064      1.00000
      7       4.7622      1.00000
      8       4.7622      1.00000
      9       7.4868      0.00000
     10       7.4868      0.00000
     11       9.3527      0.00000
     12       9.3527      0.00000
     13       9.3902      0.00000
     14       9.3902      0.00000
     15      13.6289      0.00000
     16      13.6289      0.00000
     17      16.8812      0.00000
     18      17.1255      0.00000

 k-point    40 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -3.6648      1.00000
      2      -3.6648      1.00000
      3      -1.0205      1.00000
      4      -1.0205      1.00000
      5       4.7551      1.00000
      6       4.7551      1.00000
      7       4.7843      1.00000
      8       4.7843      1.00000
      9       7.4314      0.00000
     10       7.4314      0.00000
     11       9.3581      0.00000
     12       9.3581      0.00000
     13       9.3718      0.00000
     14       9.3718      0.00000
     15      13.6007      0.00000
     16      13.6007      0.00000
     17      17.3115      0.00000
     18      17.3472      0.00000

 k-point    41 :       0.5000    0.5000    0.5000
  band No.  band energies     occupation 
      1      -3.6648      1.00000
      2      -3.6648      1.00000
      3      -1.0205      1.00000
      4      -1.0205      1.00000
      5       4.7551      1.00000
      6       4.7551      1.00000
      7       4.7843      1.00000
      8       4.7843      1.00000
      9       7.4314      0.00000
     10       7.4314      0.00000
     11       9.3581      0.00000
     12       9.3581      0.00000
     13       9.3718      0.00000
     14       9.3718      0.00000
     15      13.6007      0.00000
     16      13.6007      0.00000
     17      17.3115      0.00000
     18      17.3472      0.00000

 k-point    42 :       0.4737    0.4737    0.4737
  band No.  band energies     occupation 
      1      -3.7038      1.00000
      2      -3.7038      1.00000
      3      -0.9642      1.00000
      4      -0.9642      1.00000
      5       4.7602      1.00000
      6       4.7602      1.00000
      7       4.7895      1.00000
      8       4.7895      1.00000
      9       7.4372      0.00000
     10       7.4372      0.00000
     11       9.3638      0.00000
     12       9.3638      0.00000
     13       9.3775      0.00000
     14       9.3775      0.00000
     15      13.6093      0.00000
     16      13.6093      0.00000
     17      16.8168      0.00000
     18      16.8376      0.00000

 k-point    43 :       0.4474    0.4474    0.4474
  band No.  band energies     occupation 
      1      -3.8116      1.00000
      2      -3.8116      1.00000
      3      -0.8047      1.00000
      4      -0.8047      1.00000
      5       4.7757      1.00000
      6       4.7757      1.00000
      7       4.8049      1.00000
      8       4.8049      1.00000
      9       7.4546      0.00000
     10       7.4546      0.00000
     11       9.3802      0.00000
     12       9.3802      0.00000
     13       9.3942      0.00000
     14       9.3942      0.00000
     15      13.6343      0.00000
     16      13.6343      0.00000
     17      16.2815      0.00000
     18      16.2897      0.00000

 k-point    44 :       0.4211    0.4211    0.4211
  band No.  band energies     occupation 
      1      -3.9670      1.00000
      2      -3.9670      1.00000
      3      -0.5607      1.00000
      4      -0.5607      1.00000
      5       4.8015      1.00000
      6       4.8015      1.00000
      7       4.8307      1.00000
      8       4.8307      1.00000
      9       7.4978      0.00000
     10       7.4978      0.00000
     11       9.4061      0.00000
     12       9.4061      0.00000
     13       9.4204      0.00000
     14       9.4204      0.00000
     15      13.6771      0.00000
     16      13.6772      0.00000
     17      15.7770      0.00000
     18      15.7848      0.00000

 k-point    45 :       0.3947    0.3947    0.3947
  band No.  band energies     occupation 
      1      -4.1513      1.00000
      2      -4.1513      1.00000
      3      -0.2580      1.00000
      4      -0.2580      1.00000
      5       4.8351      1.00000
      6       4.8351      1.00000
      7       4.8643      1.00000
      8       4.8643      1.00000
      9       7.5333      0.00000
     10       7.5333      0.00000
     11       9.4312      0.00000
     12       9.4312      0.00000
     13       9.4461      0.00000
     14       9.4462      0.00000
     15      13.7211      0.00000
     16      13.7211      0.00000
     17      15.2974      0.00000
     18      15.3048      0.00000

 k-point    46 :       0.3684    0.3684    0.3684
  band No.  band energies     occupation 
      1      -4.3480      1.00000
      2      -4.3480      1.00000
      3       0.0926      1.00000
      4       0.0926      1.00000
      5       4.8814      1.00000
      6       4.8814      1.00000
      7       4.9105      1.00000
      8       4.9105      1.00000
      9       7.5834      0.00000
     10       7.5834      0.00000
     11       9.4674      0.00000
     12       9.4674      0.00000
     13       9.4829      0.00000
     14       9.4830      0.00000
     15      13.7562      0.00000
     16      13.7562      0.00000
     17      14.8628      0.00000
     18      14.8695      0.00000

 k-point    47 :       0.3421    0.3421    0.3421
  band No.  band energies     occupation 
      1      -4.5471      1.00000
      2      -4.5471      1.00000
      3       0.4790      1.00000
      4       0.4790      1.00000
      5       4.9377      1.00000
      6       4.9377      1.00000
      7       4.9668      1.00000
      8       4.9668      1.00000
      9       7.6443      0.00000
     10       7.6444      0.00000
     11       9.5020      0.00000
     12       9.5020      0.00000
     13       9.5184      0.00000
     14       9.5184      0.00000
     15      13.7461      0.00000
     16      13.7461      0.00000
     17      14.4709      0.00000
     18      14.4768      0.00000

 k-point    48 :       0.3158    0.3158    0.3158
  band No.  band energies     occupation 
      1      -4.7419      1.00000
      2      -4.7419      1.00000
      3       0.8941      1.00000
      4       0.8941      1.00000
      5       5.0040      1.00000
      6       5.0040      1.00000
      7       5.0331      1.00000
      8       5.0331      1.00000
      9       7.7157      0.00000
     10       7.7157      0.00000
     11       9.5288      0.00000
     12       9.5288      0.00000
     13       9.5461      0.00000
     14       9.5461      0.00000
     15      13.6233      0.00000
     16      13.6243      0.00000
     17      14.1284      0.00000
     18      14.1334      0.00000

 k-point    49 :       0.2895    0.2895    0.2895
  band No.  band energies     occupation 
      1      -4.9295      1.00000
      2      -4.9295      1.00000
      3       1.3203      1.00000
      4       1.3203      1.00000
      5       5.0686      1.00000
      6       5.0686      1.00000
      7       5.0978      1.00000
      8       5.0978      1.00000
      9       7.7954      0.00000
     10       7.7955      0.00000
     11       9.4841      0.00000
     12       9.4841      0.00000
     13       9.5033      0.00000
     14       9.5033      0.00000
     15      13.3444      0.00000
     16      13.3464      0.00000
     17      13.7927      0.00000
     18      13.7968      0.00000

 k-point    50 :       0.2632    0.2632    0.2632
  band No.  band energies     occupation 
      1      -5.1023      1.00000
      2      -5.1023      1.00000
      3       1.7945      1.00000
      4       1.7945      1.00000
      5       5.1540      1.00000
      6       5.1540      1.00000
      7       5.1832      1.00000
      8       5.1832      1.00000
      9       7.8852      0.00000
     10       7.8853      0.00000
     11       9.4654      0.00000
     12       9.4654      0.00000
     13       9.4857      0.00000
     14       9.4857      0.00000
     15      12.9596      0.00000
     16      12.9597      0.00000
     17      13.5831      0.00000
     18      13.5832      0.00000

 k-point    51 :       0.2368    0.2368    0.2368
  band No.  band energies     occupation 
      1      -5.2637      1.00000
      2      -5.2637      1.00000
      3       2.2686      1.00000
      4       2.2686      1.00000
      5       5.2471      1.00000
      6       5.2471      1.00000
      7       5.2762      1.00000
      8       5.2762      1.00000
      9       7.9825      0.00000
     10       7.9825      0.00000
     11       9.4175      0.00000
     12       9.4175      0.00000
     13       9.4387      0.00000
     14       9.4387      0.00000
     15      12.5231      0.00000
     16      12.5231      0.00000
     17      13.4415      0.00000
     18      13.4415      0.00000

 k-point    52 :       0.2105    0.2105    0.2105
  band No.  band energies     occupation 
      1      -5.4104      1.00000
      2      -5.4104      1.00000
      3       2.7561      1.00000
      4       2.7561      1.00000
      5       5.3473      1.00000
      6       5.3473      1.00000
      7       5.3764      1.00000
      8       5.3764      1.00000
      9       8.0855      0.00000
     10       8.0856      0.00000
     11       9.3380      0.00000
     12       9.3380      0.00000
     13       9.3600      0.00000
     14       9.3600      0.00000
     15      12.0621      0.00000
     16      12.0621      0.00000
     17      13.3722      0.00000
     18      13.3722      0.00000

 k-point    53 :       0.1842    0.1842    0.1842
  band No.  band energies     occupation 
      1      -5.5414      1.00000
      2      -5.5414      1.00000
      3       3.2538      1.00000
      4       3.2538      1.00000
      5       5.4531      1.00000
      6       5.4531      1.00000
      7       5.4823      1.00000
      8       5.4823      1.00000
      9       8.1919      0.00000
     10       8.1920      0.00000
     11       9.2295      0.00000
     12       9.2296      0.00000
     13       9.2519      0.00000
     14       9.2520      0.00000
     15      11.5883      0.00000
     16      11.5883      0.00000
     17      13.3723      0.00000
     18      13.3723      0.00000

 k-point    54 :       0.1579    0.1579    0.1579
  band No.  band energies     occupation 
      1      -5.6560      1.00000
      2      -5.6560      1.00000
      3       3.7573      1.00000
      4       3.7573      1.00000
      5       5.5624      1.00000
      6       5.5624      1.00000
      7       5.5916      1.00000
      8       5.5916      1.00000
      9       8.2985      0.00000
     10       8.2985      0.00000
     11       9.0990      0.00000
     12       9.0990      0.00000
     13       9.1216      0.00000
     14       9.1216      0.00000
     15      11.1085      0.00000
     16      11.1085      0.00000
     17      13.4336      0.00000
     18      13.4336      0.00000

 k-point    55 :       0.1316    0.1316    0.1316
  band No.  band energies     occupation 
      1      -5.7537      1.00000
      2      -5.7537      1.00000
      3       4.2608      1.00000
      4       4.2608      1.00000
      5       5.6720      1.00000
      6       5.6720      1.00000
      7       5.7014      1.00000
      8       5.7014      1.00000
      9       8.4007      0.00000
     10       8.4007      0.00000
     11       8.9566      0.00000
     12       8.9566      0.00000
     13       8.9790      0.00000
     14       8.9790      0.00000
     15      10.6289      0.00000
     16      10.6289      0.00000
     17      13.5444      0.00000
     18      13.5444      0.00000

 k-point    56 :       0.1053    0.1053    0.1053
  band No.  band energies     occupation 
      1      -5.8340      1.00000
      2      -5.8340      1.00000
      3       4.7552      1.00000
      4       4.7552      1.00000
      5       5.7779      1.00000
      6       5.7779      1.00000
      7       5.8072      1.00000
      8       5.8072      1.00000
      9       8.4921      0.00000
     10       8.4922      0.00000
     11       8.8139      0.00000
     12       8.8139      0.00000
     13       8.8360      0.00000
     14       8.8360      0.00000
     15      10.1596      0.00000
     16      10.1596      0.00000
     17      13.6895      0.00000
     18      13.6896      0.00000

 k-point    57 :       0.0789    0.0789    0.0789
  band No.  band energies     occupation 
      1      -5.8969      1.00000
      2      -5.8969      1.00000
      3       5.2189      1.00000
      4       5.2189      1.00000
      5       5.8640      1.00000
      6       5.8640      1.00000
      7       5.8934      1.00000
      8       5.8934      1.00000
      9       8.5613      0.00000
     10       8.5613      0.00000
     11       8.6474      0.00000
     12       8.6474      0.00000
     13       8.6683      0.00000
     14       8.6683      0.00000
     15       9.7195      0.00000
     16       9.7195      0.00000
     17      13.8397      0.00000
     18      13.8834      0.00000

 k-point    58 :       0.0526    0.0526    0.0526
  band No.  band energies     occupation 
      1      -5.9421      1.00000
      2      -5.9421      1.00000
      3       5.6155      1.00000
      4       5.6155      1.00000
      5       5.9410      1.00000
      6       5.9410      1.00000
      7       5.9700      1.00000
      8       5.9700      1.00000
      9       8.5143      0.00000
     10       8.5143      0.00000
     11       8.5470      0.00000
     12       8.5470      0.00000
     13       8.5625      0.00000
     14       8.5625      0.00000
     15       9.3400      0.00000
     16       9.3401      0.00000
     17      13.9516      0.00000
     18      13.9517      0.00000

 k-point    59 :       0.0263    0.0263    0.0263
  band No.  band energies     occupation 
      1      -5.9691      1.00000
      2      -5.9691      1.00000
      3       5.9154      1.00000
      4       5.9154      1.00000
      5       6.0225      1.00000
      6       6.0225      1.00000
      7       6.0478      1.00000
      8       6.0478      1.00000
      9       8.4766      0.00000
     10       8.4766      0.00000
     11       8.5070      0.00000
     12       8.5070      0.00000
     13       8.5113      0.00000
     14       8.5113      0.00000
     15       9.1427      0.00000
     16       9.1428      0.00000
     17      13.8332      0.00000
     18      13.8332      0.00000

 k-point    60 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9781      1.00000
      2      -5.9781      1.00000
      3       6.0363      1.00000
      4       6.0363      1.00000
      5       6.0794      1.00000
      6       6.0794      1.00000
      7       6.0795      1.00000
      8       6.0795      1.00000
      9       8.4602      0.00000
     10       8.4602      0.00000
     11       8.4933      0.00000
     12       8.4933      0.00000
     13       8.4933      0.00000
     14       8.4933      0.00000
     15       9.0937      0.00000
     16       9.0937      0.00000
     17      13.7928      0.00000
     18      13.7928      0.00000

 k-point    61 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9781      1.00000
      2      -5.9781      1.00000
      3       6.0363      1.00000
      4       6.0363      1.00000
      5       6.0794      1.00000
      6       6.0794      1.00000
      7       6.0795      1.00000
      8       6.0795      1.00000
      9       8.4602      0.00000
     10       8.4602      0.00000
     11       8.4933      0.00000
     12       8.4933      0.00000
     13       8.4933      0.00000
     14       8.4933      0.00000
     15       9.0937      0.00000
     16       9.0937      0.00000
     17      13.7928      0.00000
     18      13.7928      0.00000

 k-point    62 :       0.0263    0.0000    0.0263
  band No.  band energies     occupation 
      1      -5.9661      1.00000
      2      -5.9661      1.00000
      3       5.9320      1.00000
      4       5.9320      1.00000
      5       5.9823      1.00000
      6       5.9823      1.00000
      7       5.9998      1.00000
      8       5.9998      1.00000
      9       8.4494      0.00000
     10       8.4494      0.00000
     11       8.5286      0.00000
     12       8.5287      0.00000
     13       8.5461      0.00000
     14       8.5461      0.00000
     15       9.1464      0.00000
     16       9.1464      0.00000
     17      13.8467      0.00000
     18      13.8467      0.00000

 k-point    63 :       0.0526    0.0000    0.0526
  band No.  band energies     occupation 
      1      -5.9300      1.00000
      2      -5.9300      1.00000
      3       5.7000      1.00000
      4       5.7000      1.00000
      5       5.8213      1.00000
      6       5.8213      1.00000
      7       5.8429      1.00000
      8       5.8429      1.00000
      9       8.3665      0.00000
     10       8.3665      0.00000
     11       8.7307      0.00000
     12       8.7307      0.00000
     13       8.7471      0.00000
     14       8.7471      0.00000
     15       9.3659      0.00000
     16       9.3659      0.00000
     17      14.0045      0.00000
     18      14.0045      0.00000

 k-point    64 :       0.0789    0.0000    0.0789
  band No.  band energies     occupation 
      1      -5.8694      1.00000
      2      -5.8694      1.00000
      3       5.3915      1.00000
      4       5.3915      1.00000
      5       5.6193      1.00000
      6       5.6193      1.00000
      7       5.6383      1.00000
      8       5.6383      1.00000
      9       8.2792      0.00000
     10       8.2793      0.00000
     11       9.1110      0.00000
     12       9.1110      0.00000
     13       9.1234      0.00000
     14       9.1234      0.00000
     15       9.6648      0.00000
     16       9.6649      0.00000
     17      13.3828      0.00000
     18      13.3969      0.00000

 k-point    65 :       0.1053    0.0000    0.1053
  band No.  band energies     occupation 
      1      -5.7855      1.00000
      2      -5.7855      1.00000
      3       4.9879      1.00000
      4       4.9879      1.00000
      5       5.3736      1.00000
      6       5.3736      1.00000
      7       5.3902      1.00000
      8       5.3902      1.00000
      9       8.1130      0.00000
     10       8.1130      0.00000
     11       9.4661      0.00000
     12       9.4662      0.00000
     13       9.4753      0.00000
     14       9.4753      0.00000
     15       9.9689      0.00000
     16       9.9689      0.00000
     17      12.9865      0.00000
     18      12.9881      0.00000

 k-point    66 :       0.1316    0.0000    0.1316
  band No.  band energies     occupation 
      1      -5.6778      1.00000
      2      -5.6778      1.00000
      3       4.5505      1.00000
      4       4.5505      1.00000
      5       5.1193      1.00000
      6       5.1193      1.00000
      7       5.1336      1.00000
      8       5.1336      1.00000
      9       7.9273      0.00000
     10       7.9273      0.00000
     11       9.8587      0.00000
     12       9.8587      0.00000
     13       9.8649      0.00000
     14       9.8649      0.00000
     15      10.1868      0.00000
     16      10.1869      0.00000
     17      12.7132      0.00000
     18      12.7132      0.00000

 k-point    67 :       0.1579    0.0000    0.1579
  band No.  band energies     occupation 
      1      -5.5464      1.00000
      2      -5.5464      1.00000
      3       4.0939      1.00000
      4       4.0939      1.00000
      5       4.8669      1.00000
      6       4.8669      1.00000
      7       4.8793      1.00000
      8       4.8793      1.00000
      9       7.7332      0.00000
     10       7.7332      0.00000
     11      10.2148      0.00000
     12      10.2148      0.00000
     13      10.2773      0.00000
     14      10.2773      0.00000
     15      10.2822      0.00000
     16      10.2822      0.00000
     17      12.6653      0.00000
     18      12.6678      0.00000

 k-point    68 :       0.1842    0.0000    0.1842
  band No.  band energies     occupation 
      1      -5.3916      1.00000
      2      -5.3916      1.00000
      3       3.6265      1.00000
      4       3.6265      1.00000
      5       4.6230      1.00000
      6       4.6230      1.00000
      7       4.6336      1.00000
      8       4.6336      1.00000
      9       7.5396      0.00000
     10       7.5397      0.00000
     11      10.0304      0.00000
     12      10.0305      0.00000
     13      10.7148      0.00000
     14      10.7148      0.00000
     15      10.7168      0.00000
     16      10.7168      0.00000
     17      12.8692      0.00000
     18      12.8742      0.00000

 k-point    69 :       0.2105    0.0000    0.2105
  band No.  band energies     occupation 
      1      -5.2129      1.00000
      2      -5.2129      1.00000
      3       3.1702      1.00000
      4       3.1702      1.00000
      5       4.3923      1.00000
      6       4.3923      1.00000
      7       4.4014      1.00000
      8       4.4014      1.00000
      9       7.3702      0.00000
     10       7.3702      0.00000
     11       9.7108      0.00000
     12       9.7108      0.00000
     13      11.2119      0.00000
     14      11.2119      0.00000
     15      11.2119      0.00000
     16      11.2119      0.00000
     17      13.2550      0.00000
     18      15.1181      0.00000

 k-point    70 :       0.2368    0.0000    0.2368
  band No.  band energies     occupation 
      1      -5.0119      1.00000
      2      -5.0119      1.00000
      3       2.6920      1.00000
      4       2.6920      1.00000
      5       4.1760      1.00000
      6       4.1760      1.00000
      7       4.1838      1.00000
      8       4.1839      1.00000
      9       7.2058      0.00000
     10       7.2058      0.00000
     11       9.3379      0.00000
     12       9.3379      0.00000
     13      11.6734      0.00000
     14      11.6734      0.00000
     15      11.6750      0.00000
     16      11.6750      0.00000
     17      13.7266      0.00000
     18      13.8204      0.00000

 k-point    71 :       0.2632    0.0000    0.2632
  band No.  band energies     occupation 
      1      -4.7883      1.00000
      2      -4.7883      1.00000
      3       2.2130      1.00000
      4       2.2130      1.00000
      5       3.9768      1.00000
      6       3.9768      1.00000
      7       3.9837      1.00000
      8       3.9837      1.00000
      9       7.0468      0.00000
     10       7.0468      0.00000
     11       8.9564      0.00000
     12       8.9564      0.00000
     13      12.1435      0.00000
     14      12.1435      0.00000
     15      12.1466      0.00000
     16      12.1466      0.00000
     17      14.2445      0.00000
     18      15.5985      0.00000

 k-point    72 :       0.2895    0.0000    0.2895
  band No.  band energies     occupation 
      1      -4.5468      1.00000
      2      -4.5468      1.00000
      3       1.7337      1.00000
      4       1.7337      1.00000
      5       3.7855      1.00000
      6       3.7855      1.00000
      7       3.7912      1.00000
      8       3.7912      1.00000
      9       6.9074      0.00000
     10       6.9074      0.00000
     11       8.5817      0.00000
     12       8.5817      0.00000
     13      12.6205      0.00000
     14      12.6206      0.00000
     15      12.6249      0.00000
     16      12.6249      0.00000
     17      14.7848      0.00000
     18      15.8784      0.00000

 k-point    73 :       0.3158    0.0000    0.3158
  band No.  band energies     occupation 
      1      -4.2799      1.00000
      2      -4.2799      1.00000
      3       1.2585      1.00000
      4       1.2585      1.00000
      5       3.6247      1.00000
      6       3.6247      1.00000
      7       3.6295      1.00000
      8       3.6295      1.00000
      9       6.7900      0.00000
     10       6.7900      0.00000
     11       8.2370      0.00000
     12       8.2370      0.00000
     13      13.1032      0.00000
     14      13.1032      0.00000
     15      13.1087      0.00000
     16      13.1087      0.00000
     17      15.3357      0.00000
     18      16.1859      0.00000

 k-point    74 :       0.3421    0.0000    0.3421
  band No.  band energies     occupation 
      1      -3.9918      1.00000
      2      -3.9918      1.00000
      3       0.7873      1.00000
      4       0.7873      1.00000
      5       3.4842      1.00000
      6       3.4842      1.00000
      7       3.4882      1.00000
      8       3.4882      1.00000
      9       6.6964      0.00000
     10       6.6964      0.00000
     11       7.9222      0.00000
     12       7.9222      0.00000
     13      13.5900      0.00000
     14      13.5900      0.00000
     15      13.5964      0.00000
     16      13.5964      0.00000
     17      15.8875      0.00000
     18      15.9034      0.00000

 k-point    75 :       0.3684    0.0000    0.3684
  band No.  band energies     occupation 
      1      -3.6833      1.00000
      2      -3.6833      1.00000
      3       0.3219      1.00000
      4       0.3219      1.00000
      5       3.3645      1.00000
      6       3.3645      1.00000
      7       3.3678      1.00000
      8       3.3678      1.00000
      9       6.6285      0.00000
     10       6.6285      0.00000
     11       7.6404      0.00000
     12       7.6404      0.00000
     13      14.0791      0.00000
     14      14.0791      0.00000
     15      14.0863      0.00000
     16      14.0863      0.00000
     17      16.4422      0.00000
     18      16.4776      0.00000

 k-point    76 :       0.3947    0.0000    0.3947
  band No.  band energies     occupation 
      1      -3.3584      1.00000
      2      -3.3584      1.00000
      3      -0.1395      1.00000
      4      -0.1395      1.00000
      5       3.2646      1.00000
      6       3.2646      1.00000
      7       3.2672      1.00000
      8       3.2672      1.00000
      9       6.5841      0.00000
     10       6.5841      0.00000
     11       7.3563      0.00000
     12       7.3563      0.00000
     13      14.5639      0.00000
     14      14.5639      0.00000
     15      14.5715      0.00000
     16      14.5715      0.00000
     17      16.9551      0.00000
     18      17.2685      0.00000

 k-point    77 :       0.4211    0.0000    0.4211
  band No.  band energies     occupation 
      1      -3.0115      1.00000
      2      -3.0115      1.00000
      3      -0.5885      1.00000
      4      -0.5885      1.00000
      5       3.1880      1.00000
      6       3.1880      1.00000
      7       3.1899      1.00000
      8       3.1899      1.00000
      9       6.5708      0.00000
     10       6.5708      0.00000
     11       7.1439      0.00000
     12       7.1439      0.00000
     13      15.0421      0.00000
     14      15.0422      0.00000
     15      15.0499      0.00000
     16      15.0499      0.00000
     17      17.4987      0.00000
     18      17.6985      0.00000

 k-point    78 :       0.4474    0.0000    0.4474
  band No.  band energies     occupation 
      1      -2.6465      1.00000
      2      -2.6465      1.00000
      3      -1.0269      1.00000
      4      -1.0269      1.00000
      5       3.1332      1.00000
      6       3.1332      1.00000
      7       3.1344      1.00000
      8       3.1344      1.00000
      9       6.5868      0.00000
     10       6.5869      0.00000
     11       6.9660      0.00000
     12       6.9660      0.00000
     13      15.4922      0.00000
     14      15.4922      0.00000
     15      15.4994      0.00000
     16      15.4994      0.00000
     17      18.0339      0.00000
     18      18.1829      0.00000

 k-point    79 :       0.4737    0.0000    0.4737
  band No.  band energies     occupation 
      1      -2.2644      1.00000
      2      -2.2644      1.00000
      3      -1.4533      1.00000
      4      -1.4533      1.00000
      5       3.1003      1.00000
      6       3.1003      1.00000
      7       3.1010      1.00000
      8       3.1010      1.00000
      9       6.6334      0.00000
     10       6.6334      0.00000
     11       6.8221      0.00000
     12       6.8221      0.00000
     13      15.8618      0.00000
     14      15.8618      0.00000
     15      15.8669      0.00000
     16      15.8669      0.00000
     17      17.9508      0.00000
     18      17.9538      0.00000

 k-point    80 :       0.5000    0.0000    0.5000
  band No.  band energies     occupation 
      1      -1.8662      1.00000
      2      -1.8662      1.00000
      3      -1.8662      1.00000
      4      -1.8662      1.00000
      5       3.0896      1.00000
      6       3.0896      1.00000
      7       3.0896      1.00000
      8       3.0896      1.00000
      9       6.7115      0.00000
     10       6.7115      0.00000
     11       6.7115      0.00000
     12       6.7115      0.00000
     13      16.0234      0.00000
     14      16.0235      0.00000
     15      16.0235      0.00000
     16      16.0235      0.00000
     17      17.7849      0.00000
     18      17.7866      0.00000

 k-point    81 :       0.5000    0.5000    1.0000
  band No.  band energies     occupation 
      1      -1.8662      1.00000
      2      -1.8662      1.00000
      3      -1.8662      1.00000
      4      -1.8662      1.00000
      5       3.0896      1.00000
      6       3.0896      1.00000
      7       3.0896      1.00000
      8       3.0896      1.00000
      9       6.7115      0.00000
     10       6.7115      0.00000
     11       6.7115      0.00000
     12       6.7115      0.00000
     13      16.0234      0.00000
     14      16.0235      0.00000
     15      16.0235      0.00000
     16      16.0235      0.00000
     17      17.7846      0.00000
     18      17.7885      0.00000

 k-point    82 :       0.4934    0.4934    0.9868
  band No.  band energies     occupation 
      1      -1.8669      1.00000
      2      -1.8669      1.00000
      3      -1.8646      1.00000
      4      -1.8646      1.00000
      5       3.0792      1.00000
      6       3.0793      1.00000
      7       3.0909      1.00000
      8       3.0909      1.00000
      9       6.7129      0.00000
     10       6.7129      0.00000
     11       6.7269      0.00000
     12       6.7270      0.00000
     13      16.0090      0.00000
     14      16.0090      0.00000
     15      16.0137      0.00000
     16      16.0138      0.00000
     17      17.7395      0.00000
     18      17.7578      0.00000

 k-point    83 :       0.4868    0.4868    0.9737
  band No.  band energies     occupation 
      1      -1.8688      1.00000
      2      -1.8688      1.00000
      3      -1.8597      1.00000
      4      -1.8597      1.00000
      5       3.0489      1.00000
      6       3.0489      1.00000
      7       3.0945      1.00000
      8       3.0945      1.00000
      9       6.7171      0.00000
     10       6.7171      0.00000
     11       6.7727      0.00000
     12       6.7727      0.00000
     13      15.9670      0.00000
     14      15.9670      0.00000
     15      15.9845      0.00000
     16      15.9846      0.00000
     17      17.6092      0.00000
     18      17.6832      0.00000

 k-point    84 :       0.4803    0.4803    0.9605
  band No.  band energies     occupation 
      1      -1.8721      1.00000
      2      -1.8721      1.00000
      3      -1.8515      1.00000
      4      -1.8515      1.00000
      5       3.0001      1.00000
      6       3.0001      1.00000
      7       3.1007      1.00000
      8       3.1007      1.00000
      9       6.7241      0.00000
     10       6.7241      0.00000
     11       6.8471      0.00000
     12       6.8471      0.00000
     13      15.8997      0.00000
     14      15.8997      0.00000
     15      15.9372      0.00000
     16      15.9372      0.00000
     17      17.4393      0.00000
     18      17.5735      0.00000

 k-point    85 :       0.4737    0.4737    0.9474
  band No.  band energies     occupation 
      1      -1.8768      1.00000
      2      -1.8768      1.00000
      3      -1.8400      1.00000
      4      -1.8400      1.00000
      5       2.9354      1.00000
      6       2.9354      1.00000
      7       3.1093      1.00000
      8       3.1093      1.00000
      9       6.7338      0.00000
     10       6.7339      0.00000
     11       6.9478      0.00000
     12       6.9478      0.00000
     13      15.8103      0.00000
     14      15.8103      0.00000
     15      15.8735      0.00000
     16      15.8735      0.00000
     17      17.2480      0.00000
     18      17.4408      0.00000

 k-point    86 :       0.4671    0.4671    0.9342
  band No.  band energies     occupation 
      1      -1.8831      1.00000
      2      -1.8831      1.00000
      3      -1.8252      1.00000
      4      -1.8252      1.00000
      5       2.8577      1.00000
      6       2.8577      1.00000
      7       3.1203      1.00000
      8       3.1203      1.00000
      9       6.7464      0.00000
     10       6.7464      0.00000
     11       7.0721      0.00000
     12       7.0721      0.00000
     13      15.7026      0.00000
     14      15.7026      0.00000
     15      15.7955      0.00000
     16      15.7955      0.00000
     17      17.0489      0.00000
     18      17.2936      0.00000

 k-point    87 :       0.4605    0.4605    0.9211
  band No.  band energies     occupation 
      1      -1.8912      1.00000
      2      -1.8912      1.00000
      3      -1.8071      1.00000
      4      -1.8071      1.00000
      5       2.7699      1.00000
      6       2.7699      1.00000
      7       3.1338      1.00000
      8       3.1338      1.00000
      9       6.7617      0.00000
     10       6.7617      0.00000
     11       7.2172      0.00000
     12       7.2172      0.00000
     13      15.5801      0.00000
     14      15.5802      0.00000
     15      15.7053      0.00000
     16      15.7053      0.00000
     17      16.8437      0.00000
     18      17.1374      0.00000

 k-point    88 :       0.4539    0.4539    0.9079
  band No.  band energies     occupation 
      1      -1.9012      1.00000
      2      -1.9012      1.00000
      3      -1.7858      1.00000
      4      -1.7858      1.00000
      5       2.6748      1.00000
      6       2.6748      1.00000
      7       3.1496      1.00000
      8       3.1496      1.00000
      9       6.7798      0.00000
     10       6.7798      0.00000
     11       7.3804      0.00000
     12       7.3804      0.00000
     13      15.4460      0.00000
     14      15.4460      0.00000
     15      15.6050      0.00000
     16      15.6050      0.00000
     17      16.6353      0.00000
     18      16.9758      0.00000

 k-point    89 :       0.4474    0.4474    0.8947
  band No.  band energies     occupation 
      1      -1.9135      1.00000
      2      -1.9135      1.00000
      3      -1.7673      1.00000
      4      -1.7673      1.00000
      5       2.5544      1.00000
      6       2.5544      1.00000
      7       3.1665      1.00000
      8       3.1665      1.00000
      9       6.7985      0.00000
     10       6.7985      0.00000
     11       7.5552      0.00000
     12       7.5553      0.00000
     13      15.2769      0.00000
     14      15.2769      0.00000
     15      15.4718      0.00000
     16      15.4718      0.00000
     17      16.4251      0.00000
     18      16.7590      0.00000

 k-point    90 :       0.4408    0.4408    0.8816
  band No.  band energies     occupation 
      1      -1.9282      1.00000
      2      -1.9282      1.00000
      3      -1.7396      1.00000
      4      -1.7396      1.00000
      5       2.4522      1.00000
      6       2.4522      1.00000
      7       3.1872      1.00000
      8       3.1872      1.00000
      9       6.8220      0.00000
     10       6.8220      0.00000
     11       7.7485      0.00000
     12       7.7485      0.00000
     13      15.1255      0.00000
     14      15.1255      0.00000
     15      15.3575      0.00000
     16      15.3575      0.00000
     17      16.2193      0.00000
     18      16.5907      0.00000

 k-point    91 :       0.4342    0.4342    0.8684
  band No.  band energies     occupation 
      1      -1.9458      1.00000
      2      -1.9458      1.00000
      3      -1.7086      1.00000
      4      -1.7086      1.00000
      5       2.3498      1.00000
      6       2.3498      1.00000
      7       3.2102      1.00000
      8       3.2102      1.00000
      9       6.8482      0.00000
     10       6.8482      0.00000
     11       7.9536      0.00000
     12       7.9536      0.00000
     13      14.9692      0.00000
     14      14.9692      0.00000
     15      15.2379      0.00000
     16      15.2380      0.00000
     17      16.0151      0.00000
     18      16.4220      0.00000

 k-point    92 :       0.4276    0.4276    0.8553
  band No.  band energies     occupation 
      1      -1.9665      1.00000
      2      -1.9664      1.00000
      3      -1.6744      1.00000
      4      -1.6744      1.00000
      5       2.2489      1.00000
      6       2.2489      1.00000
      7       3.2356      1.00000
      8       3.2356      1.00000
      9       6.8770      0.00000
     10       6.8770      0.00000
     11       8.1691      0.00000
     12       8.1691      0.00000
     13      14.8092      0.00000
     14      14.8093      0.00000
     15      15.1141      0.00000
     16      15.1142      0.00000
     17      15.8128      0.00000
     18      16.2537      0.00000

 k-point    93 :       0.4211    0.4211    0.8421
  band No.  band energies     occupation 
      1      -1.9906      1.00000
      2      -1.9905      1.00000
      3      -1.6369      1.00000
      4      -1.6369      1.00000
      5       2.1543      1.00000
      6       2.1543      1.00000
      7       3.2633      1.00000
      8       3.2633      1.00000
      9       6.9085      0.00000
     10       6.9086      0.00000
     11       8.4273      0.00000
     12       8.4273      0.00000
     13      14.6469      0.00000
     14      14.6469      0.00000
     15      14.9871      0.00000
     16      14.9873      0.00000
     17      15.6154      0.00000
     18      16.0862      0.00000

 k-point    94 :       0.4145    0.4145    0.8289
  band No.  band energies     occupation 
      1      -2.0185      1.00000
      2      -2.0185      1.00000
      3      -1.5962      1.00000
      4      -1.5962      1.00000
      5       2.0604      1.00000
      6       2.0604      1.00000
      7       3.2933      1.00000
      8       3.2933      1.00000
      9       6.9427      0.00000
     10       6.9427      0.00000
     11       8.6611      0.00000
     12       8.6611      0.00000
     13      14.4829      0.00000
     14      14.4830      0.00000
     15      14.8578      0.00000
     16      14.8579      0.00000
     17      15.4176      0.00000
     18      15.9201      0.00000

 k-point    95 :       0.4079    0.4079    0.8158
  band No.  band energies     occupation 
      1      -2.0506      1.00000
      2      -2.0506      1.00000
      3      -1.5584      1.00000
      4      -1.5584      1.00000
      5       1.9712      1.00000
      6       1.9712      1.00000
      7       3.3256      1.00000
      8       3.3256      1.00000
      9       6.9694      0.00000
     10       6.9694      0.00000
     11       8.9022      0.00000
     12       8.9022      0.00000
     13      14.3180      0.00000
     14      14.3180      0.00000
     15      14.7212      0.00000
     16      14.7212      0.00000
     17      15.1555      0.00000
     18      15.1623      0.00000

 k-point    96 :       0.4013    0.4013    0.8026
  band No.  band energies     occupation 
      1      -2.0872      1.00000
      2      -2.0871      1.00000
      3      -1.5114      1.00000
      4      -1.5114      1.00000
      5       1.8892      1.00000
      6       1.8892      1.00000
      7       3.3601      1.00000
      8       3.3601      1.00000
      9       7.0083      0.00000
     10       7.0084      0.00000
     11       9.1500      0.00000
     12       9.1500      0.00000
     13      14.1529      0.00000
     14      14.1529      0.00000
     15      14.5895      0.00000
     16      14.5895      0.00000
     17      14.9631      0.00000
     18      15.5930      0.00000

 k-point    97 :       0.3947    0.3947    0.7895
  band No.  band energies     occupation 
      1      -2.1284      1.00000
      2      -2.1283      1.00000
      3      -1.4611      1.00000
      4      -1.4611      1.00000
      5       1.8144      1.00000
      6       1.8144      1.00000
      7       3.3969      1.00000
      8       3.3969      1.00000
      9       7.0498      0.00000
     10       7.0498      0.00000
     11       9.4038      0.00000
     12       9.4038      0.00000
     13      13.9879      0.00000
     14      13.9879      0.00000
     15      14.4571      0.00000
     16      14.4571      0.00000
     17      14.7734      0.00000
     18      14.8442      0.00000

 k-point    98 :       0.3882    0.3882    0.7763
  band No.  band energies     occupation 
      1      -2.1744      1.00000
      2      -2.1744      1.00000
      3      -1.4076      1.00000
      4      -1.4076      1.00000
      5       1.7474      1.00000
      6       1.7474      1.00000
      7       3.4357      1.00000
      8       3.4357      1.00000
      9       7.0938      0.00000
     10       7.0938      0.00000
     11       9.6630      0.00000
     12       9.6630      0.00000
     13      13.8235      0.00000
     14      13.8235      0.00000
     15      14.3246      0.00000
     16      14.3246      0.00000
     17      14.5865      0.00000
     18      14.6039      0.00000

 k-point    99 :       0.3816    0.3816    0.7632
  band No.  band energies     occupation 
      1      -2.2255      1.00000
      2      -2.2255      1.00000
      3      -1.3509      1.00000
      4      -1.3509      1.00000
      5       1.6888      1.00000
      6       1.6888      1.00000
      7       3.4768      1.00000
      8       3.4768      1.00000
      9       7.1401      0.00000
     10       7.1401      0.00000
     11       9.9273      0.00000
     12       9.9273      0.00000
     13      13.6600      0.00000
     14      13.6600      0.00000
     15      14.1922      0.00000
     16      14.1922      0.00000
     17      14.4026      0.00000
     18      14.4176      0.00000

 k-point   100 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -2.2817      1.00000
      2      -2.2817      1.00000
      3      -1.2909      1.00000
      4      -1.2909      1.00000
      5       1.6390      1.00000
      6       1.6390      1.00000
      7       3.5198      1.00000
      8       3.5199      1.00000
      9       7.1888      0.00000
     10       7.1888      0.00000
     11      10.1961      0.00000
     12      10.1961      0.00000
     13      13.4976      0.00000
     14      13.4977      0.00000
     15      14.0605      0.00000
     16      14.0605      0.00000
     17      14.2217      0.00000
     18      14.2363      0.00000

 k-point   101 :       0.3750    0.3750    0.7500
  band No.  band energies     occupation 
      1      -2.2817      1.00000
      2      -2.2817      1.00000
      3      -1.2909      1.00000
      4      -1.2909      1.00000
      5       1.6390      1.00000
      6       1.6390      1.00000
      7       3.5198      1.00000
      8       3.5199      1.00000
      9       7.1888      0.00000
     10       7.1888      0.00000
     11      10.1961      0.00000
     12      10.1961      0.00000
     13      13.4976      0.00000
     14      13.4977      0.00000
     15      14.0605      0.00000
     16      14.0605      0.00000
     17      14.2217      0.00000
     18      14.2363      0.00000

 k-point   102 :       0.3618    0.3618    0.7237
  band No.  band energies     occupation 
      1      -2.4090      1.00000
      2      -2.4090      1.00000
      3      -1.1613      1.00000
      4      -1.1613      1.00000
      5       1.5662      1.00000
      6       1.5662      1.00000
      7       3.6121      1.00000
      8       3.6121      1.00000
      9       7.2930      0.00000
     10       7.2930      0.00000
     11      10.7458      0.00000
     12      10.7459      0.00000
     13      13.1773      0.00000
     14      13.1773      0.00000
     15      13.7993      0.00000
     16      13.7997      0.00000
     17      13.8699      0.00000
     18      13.8736      0.00000

 k-point   103 :       0.3487    0.3487    0.6974
  band No.  band energies     occupation 
      1      -2.5551      1.00000
      2      -2.5551      1.00000
      3      -1.0189      1.00000
      4      -1.0189      1.00000
      5       1.5296      1.00000
      6       1.5296      1.00000
      7       3.7120      1.00000
      8       3.7120      1.00000
      9       7.4057      0.00000
     10       7.4057      0.00000
     11      11.3083      0.00000
     12      11.3083      0.00000
     13      12.8640      0.00000
     14      12.8641      0.00000
     15      13.5253      0.00000
     16      13.5259      0.00000
     17      13.5506      0.00000
     18      13.5525      0.00000

 k-point   104 :       0.3355    0.3355    0.6711
  band No.  band energies     occupation 
      1      -2.7176      1.00000
      2      -2.7176      1.00000
      3      -0.8636      1.00000
      4      -0.8636      1.00000
      5       1.5280      1.00000
      6       1.5280      1.00000
      7       3.8191      1.00000
      8       3.8191      1.00000
      9       7.5262      0.00000
     10       7.5262      0.00000
     11      11.8765      0.00000
     12      11.8765      0.00000
     13      12.5589      0.00000
     14      12.5589      0.00000
     15      13.2086      0.00000
     16      13.2089      0.00000
     17      13.2999      0.00000
     18      14.1214      0.00000

 k-point   105 :       0.3224    0.3224    0.6447
  band No.  band energies     occupation 
      1      -2.8912      1.00000
      2      -2.8912      1.00000
      3      -0.6926      1.00000
      4      -0.6926      1.00000
      5       1.5559      1.00000
      6       1.5559      1.00000
      7       3.9265      1.00000
      8       3.9265      1.00000
      9       7.6375      0.00000
     10       7.6375      0.00000
     11      12.2074      0.00000
     12      12.2074      0.00000
     13      12.4281      0.00000
     14      12.4281      0.00000
     15      12.9453      0.00000
     16      12.9454      0.00000
     17      13.0968      0.00000
     18      13.8680      0.00000

 k-point   106 :       0.3092    0.3092    0.6184
  band No.  band energies     occupation 
      1      -3.0770      1.00000
      2      -3.0770      1.00000
      3      -0.5121      1.00000
      4      -0.5121      1.00000
      5       1.6164      1.00000
      6       1.6164      1.00000
      7       4.0453      1.00000
      8       4.0453      1.00000
      9       7.7701      0.00000
     10       7.7701      0.00000
     11      11.9214      0.00000
     12      11.9214      0.00000
     13      12.5009      0.00000
     14      12.5009      0.00000
     15      12.8669      0.00000
     16      12.8669      0.00000
     17      13.1608      0.00000
     18      13.1771      0.00000

 k-point   107 :       0.2961    0.2961    0.5921
  band No.  band energies     occupation 
      1      -3.2683      1.00000
      2      -3.2683      1.00000
      3      -0.3120      1.00000
      4      -0.3120      1.00000
      5       1.7076      1.00000
      6       1.7076      1.00000
      7       4.1692      1.00000
      8       4.1692      1.00000
      9       7.9104      0.00000
     10       7.9104      0.00000
     11      11.6453      0.00000
     12      11.6453      0.00000
     13      12.2380      0.00000
     14      12.2380      0.00000
     15      12.6517      0.00000
     16      12.6517      0.00000
     17      13.4127      0.00000
     18      13.7278      0.00000

 k-point   108 :       0.2829    0.2829    0.5658
  band No.  band energies     occupation 
      1      -3.4645      1.00000
      2      -3.4645      1.00000
      3      -0.1062      1.00000
      4      -0.1062      1.00000
      5       1.8193      1.00000
      6       1.8194      1.00000
      7       4.2972      1.00000
      8       4.2972      1.00000
      9       8.0498      0.00000
     10       8.0498      0.00000
     11      11.3796      0.00000
     12      11.3796      0.00000
     13      11.9623      0.00000
     14      11.9623      0.00000
     15      12.4502      0.00000
     16      12.4502      0.00000
     17      13.2121      0.00000
     18      13.3395      0.00000

 k-point   109 :       0.2697    0.2697    0.5395
  band No.  band energies     occupation 
      1      -3.6615      1.00000
      2      -3.6615      1.00000
      3       0.1121      1.00000
      4       0.1121      1.00000
      5       1.9529      1.00000
      6       1.9529      1.00000
      7       4.4282      1.00000
      8       4.4282      1.00000
      9       8.1895      0.00000
     10       8.1895      0.00000
     11      11.1248      0.00000
     12      11.1248      0.00000
     13      11.6938      0.00000
     14      11.6938      0.00000
     15      12.2649      0.00000
     16      12.2650      0.00000
     17      13.0310      0.00000
     18      13.0842      0.00000

 k-point   110 :       0.2566    0.2566    0.5132
  band No.  band energies     occupation 
      1      -3.8571      1.00000
      2      -3.8571      1.00000
      3       0.3426      1.00000
      4       0.3426      1.00000
      5       2.1058      1.00000
      6       2.1058      1.00000
      7       4.5613      1.00000
      8       4.5613      1.00000
      9       8.3270      0.00000
     10       8.3270      0.00000
     11      10.8810      0.00000
     12      10.8810      0.00000
     13      11.4357      0.00000
     14      11.4357      0.00000
     15      12.0982      0.00000
     16      12.0982      0.00000
     17      12.8706      0.00000
     18      12.9100      0.00000

 k-point   111 :       0.2434    0.2434    0.4868
  band No.  band energies     occupation 
      1      -4.0495      1.00000
      2      -4.0494      1.00000
      3       0.5853      1.00000
      4       0.5853      1.00000
      5       2.2762      1.00000
      6       2.2762      1.00000
      7       4.6951      1.00000
      8       4.6951      1.00000
      9       8.4591      0.00000
     10       8.4591      0.00000
     11      10.6485      0.00000
     12      10.6485      0.00000
     13      11.1887      0.00000
     14      11.1887      0.00000
     15      11.9522      0.00000
     16      11.9522      0.00000
     17      12.7321      0.00000
     18      12.8224      0.00000

 k-point   112 :       0.2303    0.2303    0.4605
  band No.  band energies     occupation 
      1      -4.2369      1.00000
      2      -4.2369      1.00000
      3       0.8400      1.00000
      4       0.8400      1.00000
      5       2.4621      1.00000
      6       2.4622      1.00000
      7       4.8285      1.00000
      8       4.8285      1.00000
      9       8.5821      0.00000
     10       8.5821      0.00000
     11      10.4275      0.00000
     12      10.4276      0.00000
     13      10.9533      0.00000
     14      10.9533      0.00000
     15      11.8293      0.00000
     16      11.8293      0.00000
     17      12.6167      0.00000
     18      12.6315      0.00000

 k-point   113 :       0.2171    0.2171    0.4342
  band No.  band energies     occupation 
      1      -4.4182      1.00000
      2      -4.4182      1.00000
      3       1.1066      1.00000
      4       1.1066      1.00000
      5       2.6581      1.00000
      6       2.6581      1.00000
      7       4.9599      1.00000
      8       4.9599      1.00000
      9       8.6921      0.00000
     10       8.6921      0.00000
     11      10.2012      0.00000
     12      10.2013      0.00000
     13      10.7261      0.00000
     14      10.7261      0.00000
     15      11.7315      0.00000
     16      11.7315      0.00000
     17      12.5258      0.00000
     18      12.5355      0.00000

 k-point   114 :       0.2039    0.2039    0.4079
  band No.  band energies     occupation 
      1      -4.5922      1.00000
      2      -4.5922      1.00000
      3       1.3847      1.00000
      4       1.3847      1.00000
      5       2.8704      1.00000
      6       2.8704      1.00000
      7       5.0879      1.00000
      8       5.0879      1.00000
      9       8.7852      0.00000
     10       8.7852      0.00000
     11      10.0042      0.00000
     12      10.0042      0.00000
     13      10.5132      0.00000
     14      10.5132      0.00000
     15      11.6599      0.00000
     16      11.6599      0.00000
     17      12.4606      0.00000
     18      12.4952      0.00000

 k-point   115 :       0.1908    0.1908    0.3816
  band No.  band energies     occupation 
      1      -4.7580      1.00000
      2      -4.7580      1.00000
      3       1.6742      1.00000
      4       1.6742      1.00000
      5       3.0936      1.00000
      6       3.0936      1.00000
      7       5.2112      1.00000
      8       5.2112      1.00000
      9       8.8583      0.00000
     10       8.8583      0.00000
     11       9.8191      0.00000
     12       9.8191      0.00000
     13      10.3117      0.00000
     14      10.3117      0.00000
     15      11.6135      0.00000
     16      11.6135      0.00000
     17      12.4221      0.00000
     18      12.4241      0.00000

 k-point   116 :       0.1776    0.1776    0.3553
  band No.  band energies     occupation 
      1      -4.9120      1.00000
      2      -4.9120      1.00000
      3       1.9854      1.00000
      4       1.9854      1.00000
      5       3.3382      1.00000
      6       3.3382      1.00000
      7       5.3298      1.00000
      8       5.3298      1.00000
      9       8.9116      0.00000
     10       8.9116      0.00000
     11       9.6461      0.00000
     12       9.6461      0.00000
     13      10.1246      0.00000
     14      10.1246      0.00000
     15      11.5919      0.00000
     16      11.5919      0.00000
     17      12.4134      0.00000
     18      12.4223      0.00000

 k-point   117 :       0.1645    0.1645    0.3289
  band No.  band energies     occupation 
      1      -5.0598      1.00000
      2      -5.0598      1.00000
      3       2.2969      1.00000
      4       2.2969      1.00000
      5       3.5791      1.00000
      6       3.5791      1.00000
      7       5.4397      1.00000
      8       5.4397      1.00000
      9       8.9412      0.00000
     10       8.9412      0.00000
     11       9.4851      0.00000
     12       9.4851      0.00000
     13       9.9442      0.00000
     14       9.9442      0.00000
     15      11.5777      0.00000
     16      11.5777      0.00000
     17      12.4316      0.00000
     18      12.4555      0.00000

 k-point   118 :       0.1513    0.1513    0.3026
  band No.  band energies     occupation 
      1      -5.1976      1.00000
      2      -5.1976      1.00000
      3       2.6185      1.00000
      4       2.6185      1.00000
      5       3.8262      1.00000
      6       3.8262      1.00000
      7       5.5412      1.00000
      8       5.5412      1.00000
      9       8.9513      0.00000
     10       8.9513      0.00000
     11       9.3364      0.00000
     12       9.3364      0.00000
     13       9.7743      0.00000
     14       9.7743      0.00000
     15      11.5599      0.00000
     16      11.5599      0.00000
     17      12.4808      0.00000
     18      12.5054      0.00000

 k-point   119 :       0.1382    0.1382    0.2763
  band No.  band energies     occupation 
      1      -5.3250      1.00000
      2      -5.3250      1.00000
      3       2.9495      1.00000
      4       2.9495      1.00000
      5       4.0777      1.00000
      6       4.0777      1.00000
      7       5.6337      1.00000
      8       5.6337      1.00000
      9       8.9452      0.00000
     10       8.9453      0.00000
     11       9.1999      0.00000
     12       9.1999      0.00000
     13       9.6145      0.00000
     14       9.6145      0.00000
     15      11.5165      0.00000
     16      11.5165      0.00000
     17      12.7424      0.00000
     18      14.5926      0.00000

 k-point   120 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation 
      1      -5.4417      1.00000
      2      -5.4417      1.00000
      3       3.2892      1.00000
      4       3.2892      1.00000
      5       4.3313      1.00000
      6       4.3313      1.00000
      7       5.7165      1.00000
      8       5.7165      1.00000
      9       8.9270      0.00000
     10       8.9270      0.00000
     11       9.0758      0.00000
     12       9.0758      0.00000
     13       9.4643      0.00000
     14       9.4643      0.00000
     15      11.4215      0.00000
     16      11.4215      0.00000
     17      13.0238      0.00000
     18      14.2945      0.00000

 k-point   121 :       0.1250    0.1250    0.2500
  band No.  band energies     occupation 
      1      -5.4417      1.00000
      2      -5.4417      1.00000
      3       3.2892      1.00000
      4       3.2892      1.00000
      5       4.3313      1.00000
      6       4.3313      1.00000
      7       5.7165      1.00000
      8       5.7165      1.00000
      9       8.9270      0.00000
     10       8.9270      0.00000
     11       9.0758      0.00000
     12       9.0758      0.00000
     13       9.4643      0.00000
     14       9.4643      0.00000
     15      11.4215      0.00000
     16      11.4215      0.00000
     17      13.0238      0.00000
     18      14.2945      0.00000

 k-point   122 :       0.1184    0.1184    0.2368
  band No.  band energies     occupation 
      1      -5.4960      1.00000
      2      -5.4960      1.00000
      3       3.4620      1.00000
      4       3.4620      1.00000
      5       4.4581      1.00000
      6       4.4581      1.00000
      7       5.7543      1.00000
      8       5.7543      1.00000
      9       8.9144      0.00000
     10       8.9144      0.00000
     11       9.0185      0.00000
     12       9.0185      0.00000
     13       9.3927      0.00000
     14       9.3927      0.00000
     15      11.3474      0.00000
     16      11.3474      0.00000
     17      13.4829      0.00000
     18      14.1724      0.00000

 k-point   123 :       0.1118    0.1118    0.2237
  band No.  band energies     occupation 
      1      -5.5474      1.00000
      2      -5.5474      1.00000
      3       3.6364      1.00000
      4       3.6364      1.00000
      5       4.5845      1.00000
      6       4.5845      1.00000
      7       5.7896      1.00000
      8       5.7896      1.00000
      9       8.8999      0.00000
     10       8.8999      0.00000
     11       8.9646      0.00000
     12       8.9646      0.00000
     13       9.3233      0.00000
     14       9.3233      0.00000
     15      11.2533      0.00000
     16      11.2533      0.00000
     17      14.0400      0.00000
     18      14.0759      0.00000

 k-point   124 :       0.1053    0.1053    0.2105
  band No.  band energies     occupation 
      1      -5.5961      1.00000
      2      -5.5961      1.00000
      3       3.8123      1.00000
      4       3.8123      1.00000
      5       4.7100      1.00000
      6       4.7100      1.00000
      7       5.8225      1.00000
      8       5.8225      1.00000
      9       8.8832      0.00000
     10       8.8832      0.00000
     11       8.9147      0.00000
     12       8.9147      0.00000
     13       9.2560      0.00000
     14       9.2560      0.00000
     15      11.1394      0.00000
     16      11.1394      0.00000
     17      14.0030      0.00000
     18      14.0050      0.00000

 k-point   125 :       0.0987    0.0987    0.1974
  band No.  band energies     occupation 
      1      -5.6421      1.00000
      2      -5.6420      1.00000
      3       3.9869      1.00000
      4       3.9869      1.00000
      5       4.8246      1.00000
      6       4.8246      1.00000
      7       5.8239      1.00000
      8       5.8239      1.00000
      9       8.8045      0.00000
     10       8.8045      0.00000
     11       8.8626      0.00000
     12       8.8626      0.00000
     13       9.1810      0.00000
     14       9.1810      0.00000
     15      11.0038      0.00000
     16      11.0038      0.00000
     17      13.9331      0.00000
     18      13.9340      0.00000

 k-point   126 :       0.0921    0.0921    0.1842
  band No.  band energies     occupation 
      1      -5.6850      1.00000
      2      -5.6850      1.00000
      3       4.1648      1.00000
      4       4.1648      1.00000
      5       4.9465      1.00000
      6       4.9465      1.00000
      7       5.8509      1.00000
      8       5.8509      1.00000
      9       8.7599      0.00000
     10       8.7599      0.00000
     11       8.8451      0.00000
     12       8.8451      0.00000
     13       9.1186      0.00000
     14       9.1186      0.00000
     15      10.8543      0.00000
     16      10.8543      0.00000
     17      13.9089      0.00000
     18      13.9092      0.00000

 k-point   127 :       0.0855    0.0855    0.1711
  band No.  band energies     occupation 
      1      -5.7251      1.00000
      2      -5.7251      1.00000
      3       4.3432      1.00000
      4       4.3432      1.00000
      5       5.0662      1.00000
      6       5.0662      1.00000
      7       5.8757      1.00000
      8       5.8757      1.00000
      9       8.7181      0.00000
     10       8.7182      0.00000
     11       8.8274      0.00000
     12       8.8275      0.00000
     13       9.0582      0.00000
     14       9.0582      0.00000
     15      10.6919      0.00000
     16      10.6919      0.00000
     17      13.9014      0.00000
     18      13.9020      0.00000

 k-point   128 :       0.0789    0.0789    0.1579
  band No.  band energies     occupation 
      1      -5.7623      1.00000
      2      -5.7623      1.00000
      3       4.5216      1.00000
      4       4.5216      1.00000
      5       5.1829      1.00000
      6       5.1829      1.00000
      7       5.8984      1.00000
      8       5.8984      1.00000
      9       8.6794      0.00000
     10       8.6794      0.00000
     11       8.8096      0.00000
     12       8.8096      0.00000
     13       9.0000      0.00000
     14       9.0000      0.00000
     15      10.5201      0.00000
     16      10.5201      0.00000
     17      13.9069      0.00000
     18      13.9078      0.00000

 k-point   129 :       0.0724    0.0724    0.1447
  band No.  band energies     occupation 
      1      -5.7965      1.00000
      2      -5.7965      1.00000
      3       4.6993      1.00000
      4       4.6993      1.00000
      5       5.2960      1.00000
      6       5.2960      1.00000
      7       5.9189      1.00000
      8       5.9189      1.00000
      9       8.6438      0.00000
     10       8.6438      0.00000
     11       8.7916      0.00000
     12       8.7916      0.00000
     13       8.9439      0.00000
     14       8.9439      0.00000
     15      10.3423      0.00000
     16      10.3424      0.00000
     17      13.9236      0.00000
     18      13.9239      0.00000

 k-point   130 :       0.0658    0.0658    0.1316
  band No.  band energies     occupation 
      1      -5.8278      1.00000
      2      -5.8278      1.00000
      3       4.8755      1.00000
      4       4.8755      1.00000
      5       5.4048      1.00000
      6       5.4048      1.00000
      7       5.9375      1.00000
      8       5.9375      1.00000
      9       8.6112      0.00000
     10       8.6112      0.00000
     11       8.7732      0.00000
     12       8.7732      0.00000
     13       8.8900      0.00000
     14       8.8900      0.00000
     15      10.1619      0.00000
     16      10.1620      0.00000
     17      13.9466      0.00000
     18      13.9470      0.00000

 k-point   131 :       0.0592    0.0592    0.1184
  band No.  band energies     occupation 
      1      -5.8562      1.00000
      2      -5.8562      1.00000
      3       5.0492      1.00000
      4       5.0492      1.00000
      5       5.5086      1.00000
      6       5.5086      1.00000
      7       5.9541      1.00000
      8       5.9541      1.00000
      9       8.5817      0.00000
     10       8.5817      0.00000
     11       8.7542      0.00000
     12       8.7542      0.00000
     13       8.8385      0.00000
     14       8.8385      0.00000
     15       9.9823      0.00000
     16       9.9823      0.00000
     17      13.9753      0.00000
     18      13.9862      0.00000

 k-point   132 :       0.0526    0.0526    0.1053
  band No.  band energies     occupation 
      1      -5.8820      1.00000
      2      -5.8820      1.00000
      3       5.1981      1.00000
      4       5.1981      1.00000
      5       5.6050      1.00000
      6       5.6050      1.00000
      7       5.9683      1.00000
      8       5.9683      1.00000
      9       8.5548      0.00000
     10       8.5548      0.00000
     11       8.7016      0.00000
     12       8.7016      0.00000
     13       8.7256      0.00000
     14       8.7256      0.00000
     15       9.7930      0.00000
     16       9.7930      0.00000
     17      14.0052      0.00000
     18      14.0058      0.00000

 k-point   133 :       0.0461    0.0461    0.0921
  band No.  band energies     occupation 
      1      -5.9044      1.00000
      2      -5.9044      1.00000
      3       5.3605      1.00000
      4       5.3605      1.00000
      5       5.6953      1.00000
      6       5.6953      1.00000
      7       5.9814      1.00000
      8       5.9815      1.00000
      9       8.5314      0.00000
     10       8.5314      0.00000
     11       8.6714      0.00000
     12       8.6714      0.00000
     13       8.6861      0.00000
     14       8.6861      0.00000
     15       9.6287      0.00000
     16       9.6288      0.00000
     17      14.0570      0.00000
     18      14.0796      0.00000

 k-point   134 :       0.0395    0.0395    0.0789
  band No.  band energies     occupation 
      1      -5.9239      1.00000
      2      -5.9239      1.00000
      3       5.5146      1.00000
      4       5.5146      1.00000
      5       5.7775      1.00000
      6       5.7775      1.00000
      7       5.9931      1.00000
      8       5.9931      1.00000
      9       8.5110      0.00000
     10       8.5110      0.00000
     11       8.6318      0.00000
     12       8.6318      0.00000
     13       8.6565      0.00000
     14       8.6565      0.00000
     15       9.4777      0.00000
     16       9.4777      0.00000
     17      14.0303      0.00000
     18      14.0304      0.00000

 k-point   135 :       0.0329    0.0329    0.0658
  band No.  band energies     occupation 
      1      -5.9406      1.00000
      2      -5.9406      1.00000
      3       5.6468      1.00000
      4       5.6468      1.00000
      5       5.8461      1.00000
      6       5.8461      1.00000
      7       6.0032      1.00000
      8       6.0032      1.00000
      9       8.4928      0.00000
     10       8.4928      0.00000
     11       8.5630      0.00000
     12       8.5630      0.00000
     13       8.6034      0.00000
     14       8.6034      0.00000
     15       9.3427      0.00000
     16       9.3427      0.00000
     17      13.9584      0.00000
     18      13.9585      0.00000

 k-point   136 :       0.0263    0.0263    0.0526
  band No.  band energies     occupation 
      1      -5.9541      1.00000
      2      -5.9541      1.00000
      3       5.7726      1.00000
      4       5.7726      1.00000
      5       5.9076      1.00000
      6       5.9076      1.00000
      7       6.0123      1.00000
      8       6.0123      1.00000
      9       8.4778      0.00000
     10       8.4778      0.00000
     11       8.5301      0.00000
     12       8.5301      0.00000
     13       8.5682      0.00000
     14       8.5682      0.00000
     15       9.2344      0.00000
     16       9.2344      0.00000
     17      13.8996      0.00000
     18      13.8996      0.00000

 k-point   137 :       0.0197    0.0197    0.0395
  band No.  band energies     occupation 
      1      -5.9646      1.00000
      2      -5.9646      1.00000
      3       5.8770      1.00000
      4       5.8770      1.00000
      5       5.9580      1.00000
      6       5.9580      1.00000
      7       6.0206      1.00000
      8       6.0206      1.00000
      9       8.4647      0.00000
     10       8.4647      0.00000
     11       8.5033      0.00000
     12       8.5033      0.00000
     13       8.5316      0.00000
     14       8.5316      0.00000
     15       9.1522      0.00000
     16       9.1522      0.00000
     17      13.8532      0.00000
     18      13.8532      0.00000

 k-point   138 :       0.0132    0.0132    0.0263
  band No.  band energies     occupation 
      1      -5.9721      1.00000
      2      -5.9721      1.00000
      3       5.9585      1.00000
      4       5.9585      1.00000
      5       6.0266      1.00000
      6       6.0266      1.00000
      7       6.0514      1.00000
      8       6.0514      1.00000
      9       8.4642      0.00000
     10       8.4642      0.00000
     11       8.4934      0.00000
     12       8.4934      0.00000
     13       8.5114      0.00000
     14       8.5114      0.00000
     15       9.1171      0.00000
     16       9.1171      0.00000
     17      13.8198      0.00000
     18      13.8198      0.00000

 k-point   139 :       0.0066    0.0066    0.0132
  band No.  band energies     occupation 
      1      -5.9766      1.00000
      2      -5.9766      1.00000
      3       6.0168      1.00000
      4       6.0168      1.00000
      5       6.0597      1.00000
      6       6.0597      1.00000
      7       6.0741      1.00000
      8       6.0742      1.00000
      9       8.4613      0.00000
     10       8.4613      0.00000
     11       8.4927      0.00000
     12       8.4928      0.00000
     13       8.4961      0.00000
     14       8.4961      0.00000
     15       9.0984      0.00000
     16       9.0984      0.00000
     17      13.7995      0.00000
     18      13.7996      0.00000

 k-point   140 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.9781      1.00000
      2      -5.9781      1.00000
      3       6.0363      1.00000
      4       6.0363      1.00000
      5       6.0794      1.00000
      6       6.0794      1.00000
      7       6.0795      1.00000
      8       6.0795      1.00000
      9       8.4602      0.00000
     10       8.4602      0.00000
     11       8.4933      0.00000
     12       8.4933      0.00000
     13       8.4933      0.00000
     14       8.4933      0.00000
     15       9.0937      0.00000
     16       9.0937      0.00000
     17      13.7928      0.00000
     18      13.7928      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

 soft charge-density along one line, spin component           2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 soft charge-density along one line, spin component           3
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 soft charge-density along one line, spin component           4
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line

 pseudopotential strength for first ion, spin component:           1
 18.409   0.000  25.684   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
 25.684   0.000  35.838   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000   0.000   0.000   4.177   0.000  -0.000   0.000  -0.000   0.010   7.784   0.000  -0.000   0.000  -0.000   0.019
  0.000   0.000   0.000   0.000  -0.000   0.000   4.177   0.000  -0.000  -0.000  -0.000   0.000   7.784   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.010  -0.000  -0.000   4.177   0.000  -0.000  -0.019  -0.000  -0.000   7.784   0.000
  0.000   0.000   0.000   0.000   7.784   0.000  -0.000   0.000  -0.000   0.019  14.515   0.000  -0.000   0.000  -0.000   0.035
  0.000   0.000   0.000   0.000  -0.000   0.000   7.784   0.000  -0.000  -0.000  -0.000   0.000  14.515   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000  -0.019  -0.000  -0.000   7.784   0.000  -0.000  -0.035  -0.000  -0.000  14.515   0.000
 pseudopotential strength for first ion, spin component:           2
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000   0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.010   0.000  -0.000  -0.000   0.000   0.000  -0.019   0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000   0.010  -0.000   0.000  -0.010  -0.000   0.000   0.019  -0.000   0.000  -0.019  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.010  -0.000  -0.000   0.000   0.000  -0.000   0.019  -0.000  -0.000   0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.000   0.000  -0.019   0.000  -0.000  -0.000   0.000   0.000  -0.035   0.000  -0.000
  0.000  -0.000   0.000  -0.000   0.000   0.019  -0.000   0.000  -0.019  -0.000   0.000   0.035  -0.000   0.000  -0.035  -0.000
  0.000  -0.000   0.000  -0.000   0.000  -0.000   0.019  -0.000  -0.000   0.000   0.000  -0.000   0.035  -0.000  -0.000   0.000
 pseudopotential strength for first ion, spin component:           3
 -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.010   0.000   0.000  -0.000  -0.000   0.000  -0.019   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.010  -0.000  -0.000   0.010   0.000   0.000   0.019  -0.000  -0.000   0.019   0.000
  0.000   0.000   0.000   0.000   0.000   0.000  -0.010   0.000  -0.000  -0.000   0.000   0.000  -0.019   0.000  -0.000  -0.000
  0.000   0.000   0.000   0.000  -0.000  -0.000   0.000  -0.019   0.000   0.000  -0.000  -0.000   0.000  -0.035   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.019  -0.000  -0.000   0.019   0.000   0.000   0.035  -0.000  -0.000   0.035   0.000
  0.000   0.000   0.000   0.000   0.000   0.000  -0.019   0.000  -0.000  -0.000   0.000   0.000  -0.035   0.000  -0.000  -0.000
 pseudopotential strength for first ion, spin component:           4
 18.409   0.000  25.684   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
 25.684   0.000  35.838   0.000   0.000   0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000   0.000  -0.000
  0.000   0.000   0.000   0.000   4.177   0.000  -0.000   0.000  -0.000  -0.010   7.784   0.000  -0.000   0.000  -0.000  -0.019
  0.000   0.000   0.000   0.000  -0.000   0.000   4.177   0.000  -0.000  -0.000  -0.000   0.000   7.784   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.010  -0.000  -0.000   4.177   0.000  -0.000   0.019  -0.000  -0.000   7.784   0.000
  0.000   0.000   0.000   0.000   7.784   0.000  -0.000   0.000  -0.000  -0.019  14.515   0.000  -0.000   0.000  -0.000  -0.035
  0.000   0.000   0.000   0.000  -0.000   0.000   7.784   0.000  -0.000  -0.000  -0.000   0.000  14.515   0.000  -0.000  -0.000
  0.000  -0.000   0.000  -0.000  -0.000   0.019  -0.000  -0.000   7.784   0.000  -0.000   0.035  -0.000  -0.000  14.515   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.667   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.667   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.667   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           2
  0.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.167   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.167   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.167   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           3
  0.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.167   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.167   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.167   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 total augmentation occupancy for first ion, spin component:           4
  0.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.167   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.167   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.167   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


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





 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.675   1.045   0.000   1.720
    2        0.675   1.045   0.000   1.720
--------------------------------------------------
tot          1.351   2.090   0.000   3.441



 magnetization (x)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (y)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (z)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000

    CHARGE:  cpu time      0.8742: real time      0.1728
    FORLOC:  cpu time      0.0008: real time      0.0008
    FORNL :  cpu time      0.0713: real time      0.0716
    STRESS:  cpu time      0.1246: real time      0.1249
    FORCOR:  cpu time      0.0251: real time      0.0252
    FORHAR:  cpu time      0.0023: real time      0.0023
    OFIELD:  cpu time      0.0001: real time      0.0001

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.29318     3.29318     3.29318
  Ewald     -75.64833   -75.64833   -75.64833     0.00000    -0.00000     0.00000
  Hartree     5.38405     5.38405     5.38405     0.27691     0.27691     0.27691
  E(xc)     -25.48782   -25.48782   -25.48782     0.08476     0.08476     0.08476
  Local     -29.46367   -29.46367   -29.46367     1.25713     1.25713     1.25713
  n-local    77.10368    74.38853    74.25023    -2.08583    -0.55951    -0.72588
  augment   -10.96254   -10.96254   -10.96254     0.17132     0.17132     0.17132
  Kinetic    59.13985    58.02580    58.45487    -1.62625    -0.93455    -1.02769
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.90251     0.90251     0.90251    -0.52978    -0.52978    -0.52978
  in kB      35.36422    35.36422    35.36422   -20.75906   -20.75906   -20.75906
  external pressure =       35.36 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      100.00
  volume of cell :       40.89
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.734363998  2.734363998    -0.182857879  0.182857879  0.182857879
     2.734363998  0.000000000  2.734363998     0.182857879 -0.182857879  0.182857879
     2.734363998  2.734363998  0.000000000     0.182857879  0.182857879 -0.182857879

  length of vectors
     3.866974650  3.866974650  3.866974650     0.316719136  0.316719136  0.316719136


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.999E+00 0.999E+00 0.999E+00   0.494E-15 -.506E-15 -.141E-13   -.110E+01 -.110E+01 -.110E+01   -.225E-01 -.225E-01 -.225E-01
   -.999E+00 -.999E+00 -.999E+00   -.327E-15 -.219E-15 0.141E-13   0.110E+01 0.110E+01 0.110E+01   0.225E-01 0.225E-01 0.225E-01
 -----------------------------------------------------------------------------------------------
   -.266E-14 -.969E-14 -.332E-14   0.167E-15 -.725E-15 0.269E-16   0.000E+00 0.000E+00 0.222E-15   -.295E-15 0.185E-14 0.500E-15


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.123904     -0.123904     -0.123904
      1.36718      1.36718      1.36718         0.123904      0.123904      0.123904
 -----------------------------------------------------------------------------------
    total drift:                               -0.000000     -0.000000     -0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.91951635 eV

  energy  without entropy=       -7.91951635  energy(sigma->0) =       -7.91951635



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


    POTLOK:  cpu time      0.0307: real time      0.0308


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


     LOOP+:  cpu time    249.7545: real time     23.8834
    4ORBIT:  cpu time      0.0000: real time      0.0000

 Spin-Orbit-Coupling matrix elements

 Ion:    1  E_soc:     -0.0002732
 l=   1
     0.0000000    -0.0000455    -0.0000455
    -0.0000455     0.0000000    -0.0000455
    -0.0000455    -0.0000455     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000

 Ion:    2  E_soc:     -0.0002732
 l=   1
     0.0000000    -0.0000455    -0.0000455
    -0.0000455     0.0000000    -0.0000455
    -0.0000455    -0.0000455     0.0000000
 l=   2
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
 l=   3
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000



 total charge

# of ion       s       p       d       tot
------------------------------------------
    1        0.675   1.045   0.000   1.720
    2        0.675   1.045   0.000   1.720
--------------------------------------------------
tot          1.351   2.090   0.000   3.441



 magnetization (x)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (y)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000



 magnetization (z)

# of ion       s       p       d       tot
------------------------------------------
    1       -0.000   0.000   0.000  -0.000
    2       -0.000   0.000   0.000  -0.000
--------------------------------------------------
tot         -0.000   0.000   0.000  -0.000


 total amount of memory used by VASP MPI-rank0    47122. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :        908. kBytes
   fftplans  :       1488. kBytes
   grid      :       5268. kBytes
   one-center:         24. kBytes
   wavefun   :       9434. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      250.387
                            User time (sec):       90.067
                          System time (sec):      160.320
                         Elapsed time (sec):       27.064
  
                   Maximum memory used (kb):       60196.
                   Average memory used (kb):          N/A
  
                          Minor page faults:        11582
                          Major page faults:            0
                 Voluntary context switches:         1383
