 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Feb 11 2018 21:11:49) complex           
 executed on             LinuxGNU date 2018.07.17  10:30:54
 running on    2 total cores
 distrk:  each k-point on    2 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=   1 cores,    2 groups


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


 INCAR:
 POTCAR:    PAW_PBE Pb_d 06Sep2000                
 POTCAR:    PAW_PBE Te 08Apr2002                  
 POTCAR:    PAW_PBE Pb_d 06Sep2000                
   VRHFIN =Pb:                                                                  
   LEXCH  = PE                                                                  
   EATOM  =  1661.6185 eV,  122.1255 Ry                                         
                                                                                
   TITEL  = PAW_PBE Pb_d 06Sep2000                                              
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.200    partial core radius                                     
   POMASS =  207.200; ZVAL   =   14.000    mass and valenz                      
   RCORE  =    2.500    outmost cutoff radius                                   
   RWIGS  =    3.260; RWIGS  =    1.725    wigner-seitz radius (au A)           
   ENMAX  =  237.835; ENMIN  =  178.376 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  391.914                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.565    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.643    radius for radial grids                                 
   RDEPT  =    2.092    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   16 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -88091.8466   2.0000                                         
     2  0  0.50    -15753.4197   2.0000                                         
     2  1  1.50    -13508.1797   6.0000                                         
     3  0  0.50     -3781.7194   2.0000                                         
     3  1  1.50     -3138.2529   6.0000                                         
     3  2  2.50     -2483.2977  10.0000                                         
     4  0  0.50      -856.2895   2.0000                                         
     4  1  1.50      -645.4942   6.0000                                         
     4  2  2.50      -401.8768  10.0000                                         
     4  3  3.50      -132.9059  14.0000                                         
     5  0  0.50      -144.0950   2.0000                                         
     5  1  1.50       -85.7879   6.0000                                         
     5  2  2.50       -21.1769  10.0000                                         
     6  0  0.50       -12.0372   2.0000                                         
     6  1  1.50        -3.4971   2.0000                                         
     5  3  2.50        -2.7212   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     2    -21.1768523     23  2.500                                             
     2      1.3605826     23  2.500                                             
     0    -12.0371562     23  2.500                                             
     0     13.6058260     23  2.500                                             
     1     -3.4971339     23  2.500                                             
     1     13.6058260     23  2.500                                             
     3     -1.3605826      7  2.500                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18

 POTCAR:    PAW_PBE Te 08Apr2002                  
   VRHFIN =Te: s2p4                                                             
   LEXCH  = PE                                                                  
   EATOM  =   223.2721 eV,   16.4100 Ry                                         
                                                                                
   TITEL  = PAW_PBE Te 08Apr2002                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.200    partial core radius                                     
   POMASS =  127.600; ZVAL   =    6.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.900; RWIGS  =    1.535    wigner-seitz radius (au A)           
   ENMAX  =  174.982; ENMIN  =  131.236 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  368.792                                                            
   DEXC   =    0.000                                                            
   RMAX   =    2.345    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.397    radius for radial grids                                 
   RDEPT  =    2.174    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
   13 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50    -31621.2075   2.0000                                         
     2  0  0.50     -4848.7941   2.0000                                         
     2  1  1.50     -4352.1960   6.0000                                         
     3  0  0.50      -964.9612   2.0000                                         
     3  1  1.50      -803.6179   6.0000                                         
     3  2  2.50      -559.8710  10.0000                                         
     4  0  0.50      -164.3522   2.0000                                         
     4  1  1.50      -114.3756   6.0000                                         
     4  2  2.50       -41.6483  10.0000                                         
     5  0  0.50       -15.1072   2.0000                                         
     5  1  0.50        -5.9526   4.0000                                         
     5  2  1.50        -5.4423   0.0000                                         
     4  3  2.50        -5.4423   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -15.1072389     23  2.300                                             
     0    -16.4678215     23  2.300                                             
     1     -5.9526306     23  2.300                                             
     1     -2.4873968     23  2.300                                             
     2     -5.4423304     23  2.300                                             
     3     -1.3605826     23  2.300                                             
  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
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           5
   number of lm-projection operators is LMMAX =          13

  PAW_PBE Pb_d 06Sep2000                :
 energy of atom  1       EATOM=-1661.6185
 kinetic energy error for atom=    0.0498 (will be added to EATOM!!)
  PAW_PBE Te 08Apr2002                  :
 energy of atom  2       EATOM= -223.2721
 kinetic energy error for atom=    0.0026 (will be added to EATOM!!)


 POSCAR: Te1 Pb1                                 
  positions in direct lattice
  velocities in cartesian coordinates
 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 3.23   2 3.23   2 3.23   2 3.23   2 3.23   2 3.23
   2  0.500  0.500  0.500-   1 3.23   1 3.23   1 3.23   1 3.23   1 3.23   1 3.23

  LATTYP: Found a face centered cubic cell.
 ALAT       =     6.4541000000
  
  Lattice vectors:
  
 A1 = (  -3.2270500000,  -3.2270500000,   0.0000000000)
 A2 = (  -3.2270500000,   0.0000000000,  -3.2270500000)
 A3 = (   0.0000000000,  -3.2270500000,  -3.2270500000)


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 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry 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 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry O_h .


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 48 operations are pure point group operations),
 and found     1 'primitive' translations



 KPOINTS: Grid: 16x16x16                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2    -1.000000     0.000001     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    4    -1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    5     1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    6    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    7     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.707107     0.707107    -0.000000     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.707107     0.707107    -0.000000     0.000000     0.000000     0.000000
   11     1.000000    90.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
   12    -1.000000    90.000000     0.000000    -1.000000    -0.000000     0.000000     0.000000     0.000000
   13     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   15     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   16    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   17     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   18    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   19     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   20    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   22    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   23     1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   25     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   26    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   27     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   28    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   29     1.000000   180.000000     0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
   30    -1.000000   180.000000     0.000000    -0.000000     1.000000     0.000000     0.000000     0.000000
   31     1.000000    90.000000    -0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   32    -1.000000    90.000000    -0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   33     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   34    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   35     1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
   36    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
   37     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   38    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   39     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   40    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   41     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   42    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   43     1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   44    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   45     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   46    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   48    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    145 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.062500  0.000000  0.000000      8.000000
  0.125000  0.000000  0.000000      8.000000
  0.187500  0.000000  0.000000      8.000000
  0.250000  0.000000  0.000000      8.000000
  0.312500  0.000000  0.000000      8.000000
  0.375000  0.000000  0.000000      8.000000
  0.437500  0.000000  0.000000      8.000000
  0.500000  0.000000  0.000000      4.000000
  0.062500  0.062500  0.000000      6.000000
  0.125000  0.062500  0.000000     24.000000
  0.187500  0.062500  0.000000     24.000000
  0.250000  0.062500  0.000000     24.000000
  0.312500  0.062500  0.000000     24.000000
  0.375000  0.062500  0.000000     24.000000
  0.437500  0.062500  0.000000     24.000000
  0.500000  0.062500  0.000000     24.000000
 -0.437500  0.062500  0.000000     24.000000
 -0.375000  0.062500  0.000000     24.000000
 -0.312500  0.062500  0.000000     24.000000
 -0.250000  0.062500  0.000000     24.000000
 -0.187500  0.062500  0.000000     24.000000
 -0.125000  0.062500  0.000000     24.000000
 -0.062500  0.062500  0.000000     12.000000
  0.125000  0.125000  0.000000      6.000000
  0.187500  0.125000  0.000000     24.000000
  0.250000  0.125000  0.000000     24.000000
  0.312500  0.125000  0.000000     24.000000
  0.375000  0.125000  0.000000     24.000000
  0.437500  0.125000  0.000000     24.000000
  0.500000  0.125000  0.000000     24.000000
 -0.437500  0.125000  0.000000     24.000000
 -0.375000  0.125000  0.000000     24.000000
 -0.312500  0.125000  0.000000     24.000000
 -0.250000  0.125000  0.000000     24.000000
 -0.187500  0.125000  0.000000     24.000000
 -0.125000  0.125000  0.000000     12.000000
  0.187500  0.187500  0.000000      6.000000
  0.250000  0.187500  0.000000     24.000000
  0.312500  0.187500  0.000000     24.000000
  0.375000  0.187500  0.000000     24.000000
  0.437500  0.187500  0.000000     24.000000
  0.500000  0.187500  0.000000     24.000000
 -0.437500  0.187500  0.000000     24.000000
 -0.375000  0.187500  0.000000     24.000000
 -0.312500  0.187500  0.000000     24.000000
 -0.250000  0.187500  0.000000     24.000000
 -0.187500  0.187500  0.000000     12.000000
  0.250000  0.250000  0.000000      6.000000
  0.312500  0.250000  0.000000     24.000000
  0.375000  0.250000  0.000000     24.000000
  0.437500  0.250000  0.000000     24.000000
  0.500000  0.250000  0.000000     24.000000
 -0.437500  0.250000  0.000000     24.000000
 -0.375000  0.250000  0.000000     24.000000
 -0.312500  0.250000  0.000000     24.000000
 -0.250000  0.250000  0.000000     12.000000
  0.312500  0.312500  0.000000      6.000000
  0.375000  0.312500  0.000000     24.000000
  0.437500  0.312500  0.000000     24.000000
  0.500000  0.312500  0.000000     24.000000
 -0.437500  0.312500  0.000000     24.000000
 -0.375000  0.312500  0.000000     24.000000
 -0.312500  0.312500  0.000000     12.000000
  0.375000  0.375000  0.000000      6.000000
  0.437500  0.375000  0.000000     24.000000
  0.500000  0.375000  0.000000     24.000000
 -0.437500  0.375000  0.000000     24.000000
 -0.375000  0.375000  0.000000     12.000000
  0.437500  0.437500  0.000000      6.000000
  0.500000  0.437500  0.000000     24.000000
 -0.437500  0.437500  0.000000     12.000000
  0.500000  0.500000  0.000000      3.000000
  0.187500  0.125000  0.062500     24.000000
  0.250000  0.125000  0.062500     48.000000
  0.312500  0.125000  0.062500     48.000000
  0.375000  0.125000  0.062500     48.000000
  0.437500  0.125000  0.062500     48.000000
  0.500000  0.125000  0.062500     48.000000
 -0.437500  0.125000  0.062500     24.000000
  0.250000  0.187500  0.062500     24.000000
  0.312500  0.187500  0.062500     48.000000
  0.375000  0.187500  0.062500     48.000000
  0.437500  0.187500  0.062500     48.000000
  0.500000  0.187500  0.062500     48.000000
 -0.437500  0.187500  0.062500     48.000000
 -0.375000  0.187500  0.062500     48.000000
 -0.312500  0.187500  0.062500     48.000000
 -0.250000  0.187500  0.062500     48.000000
 -0.187500  0.187500  0.062500     48.000000
 -0.125000  0.187500  0.062500     24.000000
  0.312500  0.250000  0.062500     24.000000
  0.375000  0.250000  0.062500     48.000000
  0.437500  0.250000  0.062500     48.000000
  0.500000  0.250000  0.062500     48.000000
 -0.437500  0.250000  0.062500     48.000000
 -0.375000  0.250000  0.062500     48.000000
 -0.312500  0.250000  0.062500     48.000000
 -0.250000  0.250000  0.062500     48.000000
 -0.187500  0.250000  0.062500     24.000000
  0.375000  0.312500  0.062500     24.000000
  0.437500  0.312500  0.062500     48.000000
  0.500000  0.312500  0.062500     48.000000
 -0.437500  0.312500  0.062500     48.000000
 -0.375000  0.312500  0.062500     48.000000
 -0.312500  0.312500  0.062500     48.000000
 -0.250000  0.312500  0.062500     24.000000
  0.437500  0.375000  0.062500     24.000000
  0.500000  0.375000  0.062500     48.000000
 -0.437500  0.375000  0.062500     48.000000
 -0.375000  0.375000  0.062500     48.000000
 -0.312500  0.375000  0.062500     24.000000
  0.500000  0.437500  0.062500     24.000000
 -0.437500  0.437500  0.062500     48.000000
 -0.375000  0.437500  0.062500     24.000000
 -0.437500  0.500000  0.062500     12.000000
  0.375000  0.250000  0.125000     24.000000
  0.437500  0.250000  0.125000     48.000000
  0.500000  0.250000  0.125000     48.000000
 -0.437500  0.250000  0.125000     48.000000
 -0.375000  0.250000  0.125000     24.000000
  0.437500  0.312500  0.125000     24.000000
  0.500000  0.312500  0.125000     48.000000
 -0.437500  0.312500  0.125000     48.000000
 -0.375000  0.312500  0.125000     48.000000
 -0.312500  0.312500  0.125000     48.000000
 -0.250000  0.312500  0.125000     48.000000
 -0.187500  0.312500  0.125000     24.000000
  0.500000  0.375000  0.125000     24.000000
 -0.437500  0.375000  0.125000     48.000000
 -0.375000  0.375000  0.125000     48.000000
 -0.312500  0.375000  0.125000     48.000000
 -0.250000  0.375000  0.125000     24.000000
 -0.437500  0.437500  0.125000     24.000000
 -0.375000  0.437500  0.125000     48.000000
 -0.312500  0.437500  0.125000     24.000000
 -0.375000  0.500000  0.125000     12.000000
 -0.437500  0.375000  0.187500     24.000000
 -0.375000  0.375000  0.187500     48.000000
 -0.312500  0.375000  0.187500     24.000000
 -0.375000  0.437500  0.187500     24.000000
 -0.312500  0.437500  0.187500     48.000000
 -0.250000  0.437500  0.187500     24.000000
 -0.312500  0.500000  0.187500     12.000000
 -0.250000  0.500000  0.250000      6.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
 -0.000000 -0.000000 -0.000000      1.000000
 -0.009684 -0.009684  0.009684      8.000000
 -0.019368 -0.019368  0.019368      8.000000
 -0.029051 -0.029051  0.029051      8.000000
 -0.038735 -0.038735  0.038735      8.000000
 -0.048419 -0.048419  0.048419      8.000000
 -0.058103 -0.058103  0.058103      8.000000
 -0.067786 -0.067786  0.067786      8.000000
 -0.077470 -0.077470  0.077470      4.000000
 -0.019368 -0.000000 -0.000000      6.000000
 -0.029051 -0.009684  0.009684     24.000000
 -0.038735 -0.019368  0.019368     24.000000
 -0.048419 -0.029051  0.029051     24.000000
 -0.058103 -0.038735  0.038735     24.000000
 -0.067786 -0.048419  0.048419     24.000000
 -0.077470 -0.058103  0.058103     24.000000
 -0.087154 -0.067786  0.067786     24.000000
  0.058103  0.077470 -0.077470     24.000000
  0.048419  0.067786 -0.067786     24.000000
  0.038735  0.058103 -0.058103     24.000000
  0.029051  0.048419 -0.048419     24.000000
  0.019368  0.038735 -0.038735     24.000000
  0.009684  0.029051 -0.029051     24.000000
 -0.000000  0.019368 -0.019368     12.000000
 -0.038735 -0.000000 -0.000000      6.000000
 -0.048419 -0.009684  0.009684     24.000000
 -0.058103 -0.019368  0.019368     24.000000
 -0.067786 -0.029051  0.029051     24.000000
 -0.077470 -0.038735  0.038735     24.000000
 -0.087154 -0.048419  0.048419     24.000000
 -0.096838 -0.058103  0.058103     24.000000
  0.048419  0.087154 -0.087154     24.000000
  0.038735  0.077470 -0.077470     24.000000
  0.029051  0.067786 -0.067786     24.000000
  0.019368  0.058103 -0.058103     24.000000
  0.009684  0.048419 -0.048419     24.000000
 -0.000000  0.038735 -0.038735     12.000000
 -0.058103 -0.000000 -0.000000      6.000000
 -0.067786 -0.009684  0.009684     24.000000
 -0.077470 -0.019368  0.019368     24.000000
 -0.087154 -0.029051  0.029051     24.000000
 -0.096838 -0.038735  0.038735     24.000000
 -0.106521 -0.048419  0.048419     24.000000
  0.038735  0.096838 -0.096838     24.000000
  0.029051  0.087154 -0.087154     24.000000
  0.019368  0.077470 -0.077470     24.000000
  0.009684  0.067786 -0.067786     24.000000
 -0.000000  0.058103 -0.058103     12.000000
 -0.077470 -0.000000 -0.000000      6.000000
 -0.087154 -0.009684  0.009684     24.000000
 -0.096838 -0.019368  0.019368     24.000000
 -0.106521 -0.029051  0.029051     24.000000
 -0.116205 -0.038735  0.038735     24.000000
  0.029051  0.106521 -0.106521     24.000000
  0.019368  0.096838 -0.096838     24.000000
  0.009684  0.087154 -0.087154     24.000000
 -0.000000  0.077470 -0.077470     12.000000
 -0.096838 -0.000000 -0.000000      6.000000
 -0.106521 -0.009684  0.009684     24.000000
 -0.116205 -0.019368  0.019368     24.000000
 -0.125889 -0.029051  0.029051     24.000000
  0.019368  0.116205 -0.116205     24.000000
  0.009684  0.106521 -0.106521     24.000000
 -0.000000  0.096838 -0.096838     12.000000
 -0.116205 -0.000000 -0.000000      6.000000
 -0.125889 -0.009684  0.009684     24.000000
 -0.135573 -0.019368  0.019368     24.000000
  0.009684  0.125889 -0.125889     24.000000
 -0.000000  0.116205 -0.116205     12.000000
 -0.135573 -0.000000 -0.000000      6.000000
 -0.145257 -0.009684  0.009684     24.000000
 -0.000000  0.135573 -0.135573     12.000000
 -0.154940 -0.000000 -0.000000      3.000000
 -0.038735 -0.019368 -0.000000     24.000000
 -0.048419 -0.029051  0.009684     48.000000
 -0.058103 -0.038735  0.019368     48.000000
 -0.067786 -0.048419  0.029051     48.000000
 -0.077470 -0.058103  0.038735     48.000000
 -0.087154 -0.067786  0.048419     48.000000
  0.058103  0.077470 -0.096838     24.000000
 -0.058103 -0.019368 -0.000000     24.000000
 -0.067786 -0.029051  0.009684     48.000000
 -0.077470 -0.038735  0.019368     48.000000
 -0.087154 -0.048419  0.029051     48.000000
 -0.096838 -0.058103  0.038735     48.000000
  0.048419  0.087154 -0.106521     48.000000
  0.038735  0.077470 -0.096838     48.000000
  0.029051  0.067786 -0.087154     48.000000
  0.019368  0.058103 -0.077470     48.000000
  0.009684  0.048419 -0.067786     48.000000
 -0.000000  0.038735 -0.058103     24.000000
 -0.077470 -0.019368 -0.000000     24.000000
 -0.087154 -0.029051  0.009684     48.000000
 -0.096838 -0.038735  0.019368     48.000000
 -0.106521 -0.048419  0.029051     48.000000
  0.038735  0.096838 -0.116205     48.000000
  0.029051  0.087154 -0.106521     48.000000
  0.019368  0.077470 -0.096838     48.000000
  0.009684  0.067786 -0.087154     48.000000
 -0.000000  0.058103 -0.077470     24.000000
 -0.096838 -0.019368 -0.000000     24.000000
 -0.106521 -0.029051  0.009684     48.000000
 -0.116205 -0.038735  0.019368     48.000000
  0.029051  0.106521 -0.125889     48.000000
  0.019368  0.096838 -0.116205     48.000000
  0.009684  0.087154 -0.106521     48.000000
 -0.000000  0.077470 -0.096838     24.000000
 -0.116205 -0.019368 -0.000000     24.000000
 -0.125889 -0.029051  0.009684     48.000000
  0.019368  0.116205 -0.135573     48.000000
  0.009684  0.106521 -0.125889     48.000000
 -0.000000  0.096838 -0.116205     24.000000
 -0.135573 -0.019368 -0.000000     24.000000
  0.009684  0.125889 -0.145257     48.000000
 -0.000000  0.116205 -0.135573     24.000000
 -0.000000  0.135573 -0.154940     12.000000
 -0.077470 -0.038735 -0.000000     24.000000
 -0.087154 -0.048419  0.009684     48.000000
 -0.096838 -0.058103  0.019368     48.000000
  0.048419  0.087154 -0.125889     48.000000
  0.038735  0.077470 -0.116205     24.000000
 -0.096838 -0.038735 -0.000000     24.000000
 -0.106521 -0.048419  0.009684     48.000000
  0.038735  0.096838 -0.135573     48.000000
  0.029051  0.087154 -0.125889     48.000000
  0.019368  0.077470 -0.116205     48.000000
  0.009684  0.067786 -0.106521     48.000000
 -0.000000  0.058103 -0.096838     24.000000
 -0.116205 -0.038735 -0.000000     24.000000
  0.029051  0.106521 -0.145257     48.000000
  0.019368  0.096838 -0.135573     48.000000
  0.009684  0.087154 -0.125889     48.000000
 -0.000000  0.077470 -0.116205     24.000000
  0.019368  0.116205 -0.154940     24.000000
  0.009684  0.106521 -0.145257     48.000000
 -0.000000  0.096838 -0.135573     24.000000
 -0.000000  0.116205 -0.154940     12.000000
  0.038735  0.096838 -0.154940     24.000000
  0.029051  0.087154 -0.145257     48.000000
  0.019368  0.077470 -0.135573     24.000000
  0.019368  0.096838 -0.154940     24.000000
  0.009684  0.087154 -0.145257     48.000000
 -0.000000  0.077470 -0.135573     24.000000
 -0.000000  0.096838 -0.154940     12.000000
 -0.000000  0.077470 -0.154940      6.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   4096 k-points in 1st BZ
 the following   4096 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00024414   1 t-inv F
  0.062500  0.000000  0.000000    0.00024414   2 t-inv F
  0.125000  0.000000  0.000000    0.00024414   3 t-inv F
  0.187500  0.000000  0.000000    0.00024414   4 t-inv F
  0.250000  0.000000  0.000000    0.00024414   5 t-inv F
  0.312500  0.000000  0.000000    0.00024414   6 t-inv F
  0.375000  0.000000  0.000000    0.00024414   7 t-inv F
  0.437500  0.000000  0.000000    0.00024414   8 t-inv F
  0.500000  0.000000  0.000000    0.00024414   9 t-inv F
  0.062500  0.062500  0.000000    0.00024414  10 t-inv F
  0.125000  0.062500  0.000000    0.00024414  11 t-inv F
  0.187500  0.062500  0.000000    0.00024414  12 t-inv F
  0.250000  0.062500  0.000000    0.00024414  13 t-inv F
  0.312500  0.062500  0.000000    0.00024414  14 t-inv F
  0.375000  0.062500  0.000000    0.00024414  15 t-inv F
  0.437500  0.062500  0.000000    0.00024414  16 t-inv F
  0.500000  0.062500  0.000000    0.00024414  17 t-inv F
 -0.437500  0.062500  0.000000    0.00024414  18 t-inv F
 -0.375000  0.062500  0.000000    0.00024414  19 t-inv F
 -0.312500  0.062500  0.000000    0.00024414  20 t-inv F
 -0.250000  0.062500  0.000000    0.00024414  21 t-inv F
 -0.187500  0.062500  0.000000    0.00024414  22 t-inv F
 -0.125000  0.062500  0.000000    0.00024414  23 t-inv F
 -0.062500  0.062500  0.000000    0.00024414  24 t-inv F
  0.125000  0.125000  0.000000    0.00024414  25 t-inv F
  0.187500  0.125000  0.000000    0.00024414  26 t-inv F
  0.250000  0.125000  0.000000    0.00024414  27 t-inv F
  0.312500  0.125000  0.000000    0.00024414  28 t-inv F
  0.375000  0.125000  0.000000    0.00024414  29 t-inv F
  0.437500  0.125000  0.000000    0.00024414  30 t-inv F
  0.500000  0.125000  0.000000    0.00024414  31 t-inv F
 -0.437500  0.125000  0.000000    0.00024414  32 t-inv F
 -0.375000  0.125000  0.000000    0.00024414  33 t-inv F
 -0.312500  0.125000  0.000000    0.00024414  34 t-inv F
 -0.250000  0.125000  0.000000    0.00024414  35 t-inv F
 -0.187500  0.125000  0.000000    0.00024414  36 t-inv F
 -0.125000  0.125000  0.000000    0.00024414  37 t-inv F
  0.187500  0.187500  0.000000    0.00024414  38 t-inv F
  0.250000  0.187500  0.000000    0.00024414  39 t-inv F
  0.312500  0.187500  0.000000    0.00024414  40 t-inv F
  0.375000  0.187500  0.000000    0.00024414  41 t-inv F
  0.437500  0.187500  0.000000    0.00024414  42 t-inv F
  0.500000  0.187500  0.000000    0.00024414  43 t-inv F
 -0.437500  0.187500  0.000000    0.00024414  44 t-inv F
 -0.375000  0.187500  0.000000    0.00024414  45 t-inv F
 -0.312500  0.187500  0.000000    0.00024414  46 t-inv F
 -0.250000  0.187500  0.000000    0.00024414  47 t-inv F
 -0.187500  0.187500  0.000000    0.00024414  48 t-inv F
  0.250000  0.250000  0.000000    0.00024414  49 t-inv F
  0.312500  0.250000  0.000000    0.00024414  50 t-inv F
  0.375000  0.250000  0.000000    0.00024414  51 t-inv F
  0.437500  0.250000  0.000000    0.00024414  52 t-inv F
  0.500000  0.250000  0.000000    0.00024414  53 t-inv F
 -0.437500  0.250000  0.000000    0.00024414  54 t-inv F
 -0.375000  0.250000  0.000000    0.00024414  55 t-inv F
 -0.312500  0.250000  0.000000    0.00024414  56 t-inv F
 -0.250000  0.250000  0.000000    0.00024414  57 t-inv F
  0.312500  0.312500  0.000000    0.00024414  58 t-inv F
  0.375000  0.312500  0.000000    0.00024414  59 t-inv F
  0.437500  0.312500  0.000000    0.00024414  60 t-inv F
  0.500000  0.312500  0.000000    0.00024414  61 t-inv F
 -0.437500  0.312500  0.000000    0.00024414  62 t-inv F
 -0.375000  0.312500  0.000000    0.00024414  63 t-inv F
 -0.312500  0.312500  0.000000    0.00024414  64 t-inv F
  0.375000  0.375000  0.000000    0.00024414  65 t-inv F
  0.437500  0.375000  0.000000    0.00024414  66 t-inv F
  0.500000  0.375000  0.000000    0.00024414  67 t-inv F
 -0.437500  0.375000  0.000000    0.00024414  68 t-inv F
 -0.375000  0.375000  0.000000    0.00024414  69 t-inv F
  0.437500  0.437500  0.000000    0.00024414  70 t-inv F
  0.500000  0.437500  0.000000    0.00024414  71 t-inv F
 -0.437500  0.437500  0.000000    0.00024414  72 t-inv F
  0.500000  0.500000  0.000000    0.00024414  73 t-inv F
  0.187500  0.125000  0.062500    0.00024414  74 t-inv F
  0.250000  0.125000  0.062500    0.00024414  75 t-inv F
  0.312500  0.125000  0.062500    0.00024414  76 t-inv F
  0.375000  0.125000  0.062500    0.00024414  77 t-inv F
  0.437500  0.125000  0.062500    0.00024414  78 t-inv F
  0.500000  0.125000  0.062500    0.00024414  79 t-inv F
 -0.437500  0.125000  0.062500    0.00024414  80 t-inv F
  0.250000  0.187500  0.062500    0.00024414  81 t-inv F
  0.312500  0.187500  0.062500    0.00024414  82 t-inv F
  0.375000  0.187500  0.062500    0.00024414  83 t-inv F
  0.437500  0.187500  0.062500    0.00024414  84 t-inv F
  0.500000  0.187500  0.062500    0.00024414  85 t-inv F
 -0.437500  0.187500  0.062500    0.00024414  86 t-inv F
 -0.375000  0.187500  0.062500    0.00024414  87 t-inv F
 -0.312500  0.187500  0.062500    0.00024414  88 t-inv F
 -0.250000  0.187500  0.062500    0.00024414  89 t-inv F
 -0.187500  0.187500  0.062500    0.00024414  90 t-inv F
 -0.125000  0.187500  0.062500    0.00024414  91 t-inv F
  0.312500  0.250000  0.062500    0.00024414  92 t-inv F
  0.375000  0.250000  0.062500    0.00024414  93 t-inv F
  0.437500  0.250000  0.062500    0.00024414  94 t-inv F
  0.500000  0.250000  0.062500    0.00024414  95 t-inv F
 -0.437500  0.250000  0.062500    0.00024414  96 t-inv F
 -0.375000  0.250000  0.062500    0.00024414  97 t-inv F
 -0.312500  0.250000  0.062500    0.00024414  98 t-inv F
 -0.250000  0.250000  0.062500    0.00024414  99 t-inv F
 -0.187500  0.250000  0.062500    0.00024414 100 t-inv F
  0.375000  0.312500  0.062500    0.00024414 101 t-inv F
  0.437500  0.312500  0.062500    0.00024414 102 t-inv F
  0.500000  0.312500  0.062500    0.00024414 103 t-inv F
 -0.437500  0.312500  0.062500    0.00024414 104 t-inv F
 -0.375000  0.312500  0.062500    0.00024414 105 t-inv F
 -0.312500  0.312500  0.062500    0.00024414 106 t-inv F
 -0.250000  0.312500  0.062500    0.00024414 107 t-inv F
  0.437500  0.375000  0.062500    0.00024414 108 t-inv F
  0.500000  0.375000  0.062500    0.00024414 109 t-inv F
 -0.437500  0.375000  0.062500    0.00024414 110 t-inv F
 -0.375000  0.375000  0.062500    0.00024414 111 t-inv F
 -0.312500  0.375000  0.062500    0.00024414 112 t-inv F
  0.500000  0.437500  0.062500    0.00024414 113 t-inv F
 -0.437500  0.437500  0.062500    0.00024414 114 t-inv F
 -0.375000  0.437500  0.062500    0.00024414 115 t-inv F
 -0.437500  0.500000  0.062500    0.00024414 116 t-inv F
  0.375000  0.250000  0.125000    0.00024414 117 t-inv F
  0.437500  0.250000  0.125000    0.00024414 118 t-inv F
  0.500000  0.250000  0.125000    0.00024414 119 t-inv F
 -0.437500  0.250000  0.125000    0.00024414 120 t-inv F
 -0.375000  0.250000  0.125000    0.00024414 121 t-inv F
  0.437500  0.312500  0.125000    0.00024414 122 t-inv F
  0.500000  0.312500  0.125000    0.00024414 123 t-inv F
 -0.437500  0.312500  0.125000    0.00024414 124 t-inv F
 -0.375000  0.312500  0.125000    0.00024414 125 t-inv F
 -0.312500  0.312500  0.125000    0.00024414 126 t-inv F
 -0.250000  0.312500  0.125000    0.00024414 127 t-inv F
 -0.187500  0.312500  0.125000    0.00024414 128 t-inv F
  0.500000  0.375000  0.125000    0.00024414 129 t-inv F
 -0.437500  0.375000  0.125000    0.00024414 130 t-inv F
 -0.375000  0.375000  0.125000    0.00024414 131 t-inv F
 -0.312500  0.375000  0.125000    0.00024414 132 t-inv F
 -0.250000  0.375000  0.125000    0.00024414 133 t-inv F
 -0.437500  0.437500  0.125000    0.00024414 134 t-inv F
 -0.375000  0.437500  0.125000    0.00024414 135 t-inv F
 -0.312500  0.437500  0.125000    0.00024414 136 t-inv F
 -0.375000  0.500000  0.125000    0.00024414 137 t-inv F
 -0.437500  0.375000  0.187500    0.00024414 138 t-inv F
 -0.375000  0.375000  0.187500    0.00024414 139 t-inv F
 -0.312500  0.375000  0.187500    0.00024414 140 t-inv F
 -0.375000  0.437500  0.187500    0.00024414 141 t-inv F
 -0.312500  0.437500  0.187500    0.00024414 142 t-inv F
 -0.250000  0.437500  0.187500    0.00024414 143 t-inv F
 -0.312500  0.500000  0.187500    0.00024414 144 t-inv F
 -0.250000  0.500000  0.250000    0.00024414 145 t-inv F
 -0.062500 -0.000000 -0.000000    0.00024414   2 t-inv F
  0.000000  0.062500  0.000000    0.00024414   2 t-inv F
 -0.000000 -0.062500 -0.000000    0.00024414   2 t-inv F
  0.000000  0.000000  0.062500    0.00024414   2 t-inv F
 -0.000000 -0.000000 -0.062500    0.00024414   2 t-inv F
  0.062500  0.062500  0.062500    0.00024414   2 t-inv F
 -0.062500 -0.062500 -0.062500    0.00024414   2 t-inv F
 -0.125000 -0.000000 -0.000000    0.00024414   3 t-inv F
  0.000000  0.125000  0.000000    0.00024414   3 t-inv F
 -0.000000 -0.125000 -0.000000    0.00024414   3 t-inv F
  0.000000  0.000000  0.125000    0.00024414   3 t-inv F
 -0.000000 -0.000000 -0.125000    0.00024414   3 t-inv F
  0.125000  0.125000  0.125000    0.00024414   3 t-inv F
 -0.125000 -0.125000 -0.125000    0.00024414   3 t-inv F
 -0.187500 -0.000000 -0.000000    0.00024414   4 t-inv F
  0.000000  0.187500  0.000000    0.00024414   4 t-inv F
 -0.000000 -0.187500 -0.000000    0.00024414   4 t-inv F
  0.000000  0.000000  0.187500    0.00024414   4 t-inv F
 -0.000000 -0.000000 -0.187500    0.00024414   4 t-inv F
  0.187500  0.187500  0.187500    0.00024414   4 t-inv F
 -0.187500 -0.187500 -0.187500    0.00024414   4 t-inv F
 -0.250000 -0.000000 -0.000000    0.00024414   5 t-inv F
  0.000000  0.250000  0.000000    0.00024414   5 t-inv F
 -0.000000 -0.250000 -0.000000    0.00024414   5 t-inv F
  0.000000  0.000000  0.250000    0.00024414   5 t-inv F
 -0.000000 -0.000000 -0.250000    0.00024414   5 t-inv F
  0.250000  0.250000  0.250000    0.00024414   5 t-inv F
 -0.250000 -0.250000 -0.250000    0.00024414   5 t-inv F
 -0.312500 -0.000000 -0.000000    0.00024414   6 t-inv F
  0.000000  0.312500  0.000000    0.00024414   6 t-inv F
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 -0.812500 -0.437500 -0.312500    0.00024414 135 t-inv F
 -0.125000  0.312500 -0.500000    0.00024414 135 t-inv F
  0.125000 -0.312500  0.500000    0.00024414 135 t-inv F
 -0.437500 -0.812500 -0.312500    0.00024414 135 t-inv F
  0.437500  0.812500  0.312500    0.00024414 135 t-inv F
  0.375000  0.500000  0.812500    0.00024414 135 t-inv F
 -0.375000 -0.500000 -0.812500    0.00024414 135 t-inv F
 -0.812500 -0.500000 -0.375000    0.00024414 135 t-inv F
  0.812500  0.500000  0.375000    0.00024414 135 t-inv F
  0.500000 -0.312500  0.125000    0.00024414 135 t-inv F
 -0.500000  0.312500 -0.125000    0.00024414 135 t-inv F
  0.312500  0.812500  0.437500    0.00024414 135 t-inv F
 -0.312500 -0.812500 -0.437500    0.00024414 135 t-inv F
 -0.500000 -0.125000  0.312500    0.00024414 135 t-inv F
  0.500000  0.125000 -0.312500    0.00024414 135 t-inv F
 -0.312500 -0.437500 -0.812500    0.00024414 135 t-inv F
  0.312500  0.437500  0.812500    0.00024414 135 t-inv F
  0.812500  0.375000  0.500000    0.00024414 135 t-inv F
 -0.812500 -0.375000 -0.500000    0.00024414 135 t-inv F
  0.375000 -0.125000 -0.437500    0.00024414 135 t-inv F
 -0.375000  0.125000  0.437500    0.00024414 135 t-inv F
 -0.437500  0.375000 -0.125000    0.00024414 135 t-inv F
  0.437500 -0.375000  0.125000    0.00024414 135 t-inv F
 -0.125000 -0.437500  0.375000    0.00024414 135 t-inv F
  0.125000  0.437500 -0.375000    0.00024414 135 t-inv F
  0.312500 -0.437500 -0.125000    0.00024414 136 t-inv F
  0.125000 -0.312500  0.437500    0.00024414 136 t-inv F
 -0.125000  0.312500 -0.437500    0.00024414 136 t-inv F
  0.437500  0.125000 -0.312500    0.00024414 136 t-inv F
 -0.437500 -0.125000  0.312500    0.00024414 136 t-inv F
  0.437500  0.312500  0.750000    0.00024414 136 t-inv F
 -0.437500 -0.312500 -0.750000    0.00024414 136 t-inv F
 -0.312500 -0.750000 -0.437500    0.00024414 136 t-inv F
  0.312500  0.750000  0.437500    0.00024414 136 t-inv F
  0.125000  0.437500 -0.312500    0.00024414 136 t-inv F
 -0.125000 -0.437500  0.312500    0.00024414 136 t-inv F
 -0.750000 -0.312500 -0.437500    0.00024414 136 t-inv F
  0.750000  0.312500  0.437500    0.00024414 136 t-inv F
  0.437500  0.750000  0.312500    0.00024414 136 t-inv F
 -0.437500 -0.750000 -0.312500    0.00024414 136 t-inv F
 -0.312500  0.125000  0.437500    0.00024414 136 t-inv F
  0.312500 -0.125000 -0.437500    0.00024414 136 t-inv F
  0.750000  0.437500  0.312500    0.00024414 136 t-inv F
 -0.750000 -0.437500 -0.312500    0.00024414 136 t-inv F
  0.312500  0.437500  0.750000    0.00024414 136 t-inv F
 -0.312500 -0.437500 -0.750000    0.00024414 136 t-inv F
  0.437500 -0.312500  0.125000    0.00024414 136 t-inv F
 -0.437500  0.312500 -0.125000    0.00024414 136 t-inv F
  0.375000 -0.500000 -0.125000    0.00024414 137 t-inv F
  0.125000 -0.375000  0.500000    0.00024414 137 t-inv F
 -0.125000  0.375000 -0.500000    0.00024414 137 t-inv F
  0.500000  0.125000 -0.375000    0.00024414 137 t-inv F
 -0.500000 -0.125000  0.375000    0.00024414 137 t-inv F
  0.500000  0.375000  0.875000    0.00024414 137 t-inv F
 -0.500000 -0.375000 -0.875000    0.00024414 137 t-inv F
 -0.375000 -0.875000 -0.500000    0.00024414 137 t-inv F
  0.375000  0.875000  0.500000    0.00024414 137 t-inv F
  0.125000  0.500000 -0.375000    0.00024414 137 t-inv F
 -0.125000 -0.500000  0.375000    0.00024414 137 t-inv F
  0.437500 -0.375000 -0.187500    0.00024414 138 t-inv F
  0.187500 -0.437500  0.375000    0.00024414 138 t-inv F
 -0.187500  0.437500 -0.375000    0.00024414 138 t-inv F
  0.375000  0.187500 -0.437500    0.00024414 138 t-inv F
 -0.375000 -0.187500  0.437500    0.00024414 138 t-inv F
  0.375000  0.187500  0.812500    0.00024414 138 t-inv F
 -0.375000 -0.187500 -0.812500    0.00024414 138 t-inv F
 -0.437500 -0.812500 -0.625000    0.00024414 138 t-inv F
  0.437500  0.812500  0.625000    0.00024414 138 t-inv F
  0.187500  0.625000 -0.187500    0.00024414 138 t-inv F
 -0.187500 -0.625000  0.187500    0.00024414 138 t-inv F
  0.187500 -0.625000 -0.187500    0.00024414 138 t-inv F
 -0.187500  0.625000  0.187500    0.00024414 138 t-inv F
 -0.812500 -0.187500 -0.375000    0.00024414 138 t-inv F
  0.812500  0.187500  0.375000    0.00024414 138 t-inv F
 -0.625000 -0.437500 -0.812500    0.00024414 138 t-inv F
  0.625000  0.437500  0.812500    0.00024414 138 t-inv F
 -0.187500  0.187500  0.625000    0.00024414 138 t-inv F
  0.187500 -0.187500 -0.625000    0.00024414 138 t-inv F
 -0.375000 -0.812500 -0.187500    0.00024414 138 t-inv F
  0.375000  0.812500  0.187500    0.00024414 138 t-inv F
 -0.812500 -0.625000 -0.437500    0.00024414 138 t-inv F
  0.812500  0.625000  0.437500    0.00024414 138 t-inv F
  0.375000 -0.375000 -0.187500    0.00024414 139 t-inv F
  0.187500 -0.375000  0.375000    0.00024414 139 t-inv F
 -0.187500  0.375000 -0.375000    0.00024414 139 t-inv F
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 -0.375000 -0.187500 -0.750000    0.00024414 139 t-inv F
 -0.375000 -0.750000 -0.562500    0.00024414 139 t-inv F
  0.375000  0.750000  0.562500    0.00024414 139 t-inv F
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 -0.187500 -0.562500  0.187500    0.00024414 139 t-inv F
  0.187500 -0.562500 -0.187500    0.00024414 139 t-inv F
 -0.187500  0.562500  0.187500    0.00024414 139 t-inv F
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 -0.562500 -0.750000 -0.375000    0.00024414 139 t-inv F
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  0.562500  0.375000  0.750000    0.00024414 139 t-inv F
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  0.187500 -0.187500 -0.562500    0.00024414 139 t-inv F
  0.750000  0.375000  0.187500    0.00024414 139 t-inv F
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  0.187500 -0.187500  0.562500    0.00024414 139 t-inv F
 -0.375000 -0.750000 -0.187500    0.00024414 139 t-inv F
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 -0.375000 -0.687500 -0.187500    0.00024414 140 t-inv F
  0.375000  0.687500  0.187500    0.00024414 140 t-inv F
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 -0.500000  0.187500 -0.187500    0.00024414 140 t-inv F
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  0.187500 -0.375000  0.437500    0.00024414 141 t-inv F
 -0.187500  0.375000 -0.437500    0.00024414 141 t-inv F
  0.437500  0.187500 -0.375000    0.00024414 141 t-inv F
 -0.437500 -0.187500  0.375000    0.00024414 141 t-inv F
  0.437500  0.250000  0.812500    0.00024414 141 t-inv F
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 -0.187500 -0.562500  0.250000    0.00024414 141 t-inv F
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 -0.250000  0.562500  0.187500    0.00024414 141 t-inv F
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 -0.562500 -0.375000 -0.812500    0.00024414 141 t-inv F
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 -0.250000  0.500000  0.187500    0.00024414 142 t-inv F
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 -0.187500 -0.437500  0.312500    0.00024414 142 t-inv F
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 -0.187500  0.250000 -0.437500    0.00024414 143 t-inv F
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 -0.437500 -0.250000 -0.687500    0.00024414 143 t-inv F
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 -0.187500 -0.437500  0.250000    0.00024414 143 t-inv F
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  0.687500  0.250000  0.437500    0.00024414 143 t-inv F
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 -0.437500 -0.687500 -0.250000    0.00024414 143 t-inv F
 -0.250000  0.187500  0.437500    0.00024414 143 t-inv F
  0.250000 -0.187500 -0.437500    0.00024414 143 t-inv F
  0.687500  0.437500  0.250000    0.00024414 143 t-inv F
 -0.687500 -0.437500 -0.250000    0.00024414 143 t-inv F
  0.250000  0.437500  0.687500    0.00024414 143 t-inv F
 -0.250000 -0.437500 -0.687500    0.00024414 143 t-inv F
  0.437500 -0.250000  0.187500    0.00024414 143 t-inv F
 -0.437500  0.250000 -0.187500    0.00024414 143 t-inv F
  0.312500 -0.500000 -0.187500    0.00024414 144 t-inv F
  0.187500 -0.312500  0.500000    0.00024414 144 t-inv F
 -0.187500  0.312500 -0.500000    0.00024414 144 t-inv F
  0.500000  0.187500 -0.312500    0.00024414 144 t-inv F
 -0.500000 -0.187500  0.312500    0.00024414 144 t-inv F
  0.500000  0.312500  0.812500    0.00024414 144 t-inv F
 -0.500000 -0.312500 -0.812500    0.00024414 144 t-inv F
 -0.312500 -0.812500 -0.500000    0.00024414 144 t-inv F
  0.312500  0.812500  0.500000    0.00024414 144 t-inv F
  0.187500  0.500000 -0.312500    0.00024414 144 t-inv F
 -0.187500 -0.500000  0.312500    0.00024414 144 t-inv F
  0.250000 -0.500000 -0.250000    0.00024414 145 t-inv F
  0.250000 -0.250000  0.500000    0.00024414 145 t-inv F
 -0.250000  0.250000 -0.500000    0.00024414 145 t-inv F
  0.500000  0.250000 -0.250000    0.00024414 145 t-inv F
 -0.500000 -0.250000  0.250000    0.00024414 145 t-inv F


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




 Dimension of arrays:
   k-points           NKPTS =    145   k-points in BZ     NKDIM =    145   number of bands    NBANDS=     14
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV =   8000
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   7122
   dimension x,y,z NGX =    20 NGY =   20 NGZ =   20
   dimension x,y,z NGXF=    40 NGYF=   40 NGZF=   40
   support grid    NGXF=    40 NGYF=   40 NGZF=   40
   ions per type =               1   1
   NGX,Y,Z   is equivalent  to a cutoff of   7.29,  7.29,  7.29 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  14.57, 14.57, 14.57 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Te1 Pb1                                 

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

 Electronic Relaxation 1
   ENCUT  =  300.0 eV  22.05 Ry    4.70 a.u.   6.45  6.45  6.45*2*pi/ulx,y,z
   ENINI  =  300.0     initial cutoff
   ENAUG  =  391.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  5; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = -.1E-01   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  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    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 =****** mass=  -0.476E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 207.20127.60
  Ionic Valenz
   ZVAL   =  14.00  6.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00
   NELECT =      20.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.10  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 =  0.18E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      33.61       226.78
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.092955  2.065386 16.252862  1.194552
  Thomas-Fermi vector in A             =   2.229231

 Write flags
   LWAVE        =      T    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      T    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +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
   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    =     T    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (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

 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



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


 Static calculation
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands            4
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Gauss-broadening in eV      SIGMA  =   0.10


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


  energy-cutoff  :      300.00
  volume of cell :       67.21
      direct lattice vectors                 reciprocal lattice vectors
    -3.227050000 -3.227050000  0.000000000    -0.154940271 -0.154940271  0.154940271
    -3.227050000  0.000000000 -3.227050000    -0.154940271  0.154940271 -0.154940271
     0.000000000 -3.227050000 -3.227050000     0.154940271 -0.154940271 -0.154940271

  length of vectors
     4.563737876  4.563737876  4.563737876     0.268364421  0.268364421  0.268364421



 k-points in units of 2pi/SCALE and weight: Grid: 16x16x16                          
  -0.00000000 -0.00000000 -0.00000000       0.000
  -0.00968377 -0.00968377  0.00968377       0.002
  -0.01936753 -0.01936753  0.01936753       0.002
  -0.02905130 -0.02905130  0.02905130       0.002
  -0.03873507 -0.03873507  0.03873507       0.002
  -0.04841883 -0.04841883  0.04841883       0.002
  -0.05810260 -0.05810260  0.05810260       0.002
  -0.06778637 -0.06778637  0.06778637       0.002
  -0.07747014 -0.07747014  0.07747014       0.001
  -0.01936753 -0.00000000 -0.00000000       0.001
  -0.02905130 -0.00968377  0.00968377       0.006
  -0.03873507 -0.01936753  0.01936753       0.006
  -0.04841883 -0.02905130  0.02905130       0.006
  -0.05810260 -0.03873507  0.03873507       0.006
  -0.06778637 -0.04841883  0.04841883       0.006
  -0.07747014 -0.05810260  0.05810260       0.006
  -0.08715390 -0.06778637  0.06778637       0.006
   0.05810260  0.07747014 -0.07747014       0.006
   0.04841883  0.06778637 -0.06778637       0.006
   0.03873507  0.05810260 -0.05810260       0.006
   0.02905130  0.04841883 -0.04841883       0.006
   0.01936753  0.03873507 -0.03873507       0.006
   0.00968377  0.02905130 -0.02905130       0.006
  -0.00000000  0.01936753 -0.01936753       0.003
  -0.03873507 -0.00000000 -0.00000000       0.001
  -0.04841883 -0.00968377  0.00968377       0.006
  -0.05810260 -0.01936753  0.01936753       0.006
  -0.06778637 -0.02905130  0.02905130       0.006
  -0.07747014 -0.03873507  0.03873507       0.006
  -0.08715390 -0.04841883  0.04841883       0.006
  -0.09683767 -0.05810260  0.05810260       0.006
   0.04841883  0.08715390 -0.08715390       0.006
   0.03873507  0.07747014 -0.07747014       0.006
   0.02905130  0.06778637 -0.06778637       0.006
   0.01936753  0.05810260 -0.05810260       0.006
   0.00968377  0.04841883 -0.04841883       0.006
  -0.00000000  0.03873507 -0.03873507       0.003
  -0.05810260 -0.00000000 -0.00000000       0.001
  -0.06778637 -0.00968377  0.00968377       0.006
  -0.07747014 -0.01936753  0.01936753       0.006
  -0.08715390 -0.02905130  0.02905130       0.006
  -0.09683767 -0.03873507  0.03873507       0.006
  -0.10652144 -0.04841883  0.04841883       0.006
   0.03873507  0.09683767 -0.09683767       0.006
   0.02905130  0.08715390 -0.08715390       0.006
   0.01936753  0.07747014 -0.07747014       0.006
   0.00968377  0.06778637 -0.06778637       0.006
  -0.00000000  0.05810260 -0.05810260       0.003
  -0.07747014 -0.00000000 -0.00000000       0.001
  -0.08715390 -0.00968377  0.00968377       0.006
  -0.09683767 -0.01936753  0.01936753       0.006
  -0.10652144 -0.02905130  0.02905130       0.006
  -0.11620520 -0.03873507  0.03873507       0.006
   0.02905130  0.10652144 -0.10652144       0.006
   0.01936753  0.09683767 -0.09683767       0.006
   0.00968377  0.08715390 -0.08715390       0.006
  -0.00000000  0.07747014 -0.07747014       0.003
  -0.09683767 -0.00000000 -0.00000000       0.001
  -0.10652144 -0.00968377  0.00968377       0.006
  -0.11620520 -0.01936753  0.01936753       0.006
  -0.12588897 -0.02905130  0.02905130       0.006
   0.01936753  0.11620520 -0.11620520       0.006
   0.00968377  0.10652144 -0.10652144       0.006
  -0.00000000  0.09683767 -0.09683767       0.003
  -0.11620520 -0.00000000 -0.00000000       0.001
  -0.12588897 -0.00968377  0.00968377       0.006
  -0.13557274 -0.01936753  0.01936753       0.006
   0.00968377  0.12588897 -0.12588897       0.006
  -0.00000000  0.11620520 -0.11620520       0.003
  -0.13557274 -0.00000000 -0.00000000       0.001
  -0.14525650 -0.00968377  0.00968377       0.006
  -0.00000000  0.13557274 -0.13557274       0.003
  -0.15494027 -0.00000000 -0.00000000       0.001
  -0.03873507 -0.01936753 -0.00000000       0.006
  -0.04841883 -0.02905130  0.00968377       0.012
  -0.05810260 -0.03873507  0.01936753       0.012
  -0.06778637 -0.04841883  0.02905130       0.012
  -0.07747014 -0.05810260  0.03873507       0.012
  -0.08715390 -0.06778637  0.04841883       0.012
   0.05810260  0.07747014 -0.09683767       0.006
  -0.05810260 -0.01936753 -0.00000000       0.006
  -0.06778637 -0.02905130  0.00968377       0.012
  -0.07747014 -0.03873507  0.01936753       0.012
  -0.08715390 -0.04841883  0.02905130       0.012
  -0.09683767 -0.05810260  0.03873507       0.012
   0.04841883  0.08715390 -0.10652144       0.012
   0.03873507  0.07747014 -0.09683767       0.012
   0.02905130  0.06778637 -0.08715390       0.012
   0.01936753  0.05810260 -0.07747014       0.012
   0.00968377  0.04841883 -0.06778637       0.012
  -0.00000000  0.03873507 -0.05810260       0.006
  -0.07747014 -0.01936753 -0.00000000       0.006
  -0.08715390 -0.02905130  0.00968377       0.012
  -0.09683767 -0.03873507  0.01936753       0.012
  -0.10652144 -0.04841883  0.02905130       0.012
   0.03873507  0.09683767 -0.11620520       0.012
   0.02905130  0.08715390 -0.10652144       0.012
   0.01936753  0.07747014 -0.09683767       0.012
   0.00968377  0.06778637 -0.08715390       0.012
  -0.00000000  0.05810260 -0.07747014       0.006
  -0.09683767 -0.01936753 -0.00000000       0.006
  -0.10652144 -0.02905130  0.00968377       0.012
  -0.11620520 -0.03873507  0.01936753       0.012
   0.02905130  0.10652144 -0.12588897       0.012
   0.01936753  0.09683767 -0.11620520       0.012
   0.00968377  0.08715390 -0.10652144       0.012
  -0.00000000  0.07747014 -0.09683767       0.006
  -0.11620520 -0.01936753 -0.00000000       0.006
  -0.12588897 -0.02905130  0.00968377       0.012
   0.01936753  0.11620520 -0.13557274       0.012
   0.00968377  0.10652144 -0.12588897       0.012
  -0.00000000  0.09683767 -0.11620520       0.006
  -0.13557274 -0.01936753 -0.00000000       0.006
   0.00968377  0.12588897 -0.14525650       0.012
  -0.00000000  0.11620520 -0.13557274       0.006
  -0.00000000  0.13557274 -0.15494027       0.003
  -0.07747014 -0.03873507 -0.00000000       0.006
  -0.08715390 -0.04841883  0.00968377       0.012
  -0.09683767 -0.05810260  0.01936753       0.012
   0.04841883  0.08715390 -0.12588897       0.012
   0.03873507  0.07747014 -0.11620520       0.006
  -0.09683767 -0.03873507 -0.00000000       0.006
  -0.10652144 -0.04841883  0.00968377       0.012
   0.03873507  0.09683767 -0.13557274       0.012
   0.02905130  0.08715390 -0.12588897       0.012
   0.01936753  0.07747014 -0.11620520       0.012
   0.00968377  0.06778637 -0.10652144       0.012
  -0.00000000  0.05810260 -0.09683767       0.006
  -0.11620520 -0.03873507 -0.00000000       0.006
   0.02905130  0.10652144 -0.14525650       0.012
   0.01936753  0.09683767 -0.13557274       0.012
   0.00968377  0.08715390 -0.12588897       0.012
  -0.00000000  0.07747014 -0.11620520       0.006
   0.01936753  0.11620520 -0.15494027       0.006
   0.00968377  0.10652144 -0.14525650       0.012
  -0.00000000  0.09683767 -0.13557274       0.006
  -0.00000000  0.11620520 -0.15494027       0.003
   0.03873507  0.09683767 -0.15494027       0.006
   0.02905130  0.08715390 -0.14525650       0.012
   0.01936753  0.07747014 -0.13557274       0.006
   0.01936753  0.09683767 -0.15494027       0.006
   0.00968377  0.08715390 -0.14525650       0.012
  -0.00000000  0.07747014 -0.13557274       0.006
  -0.00000000  0.09683767 -0.15494027       0.003
  -0.00000000  0.07747014 -0.15494027       0.001

 k-points in reciprocal lattice and weights: Grid: 16x16x16                          
   0.00000000  0.00000000  0.00000000       0.000
   0.06250000  0.00000000  0.00000000       0.002
   0.12500000  0.00000000  0.00000000       0.002
   0.18750000  0.00000000  0.00000000       0.002
   0.25000000  0.00000000  0.00000000       0.002
   0.31250000  0.00000000  0.00000000       0.002
   0.37500000  0.00000000  0.00000000       0.002
   0.43750000  0.00000000  0.00000000       0.002
   0.50000000  0.00000000  0.00000000       0.001
   0.06250000  0.06250000  0.00000000       0.001
   0.12500000  0.06250000  0.00000000       0.006
   0.18750000  0.06250000  0.00000000       0.006
   0.25000000  0.06250000  0.00000000       0.006
   0.31250000  0.06250000  0.00000000       0.006
   0.37500000  0.06250000  0.00000000       0.006
   0.43750000  0.06250000  0.00000000       0.006
   0.50000000  0.06250000  0.00000000       0.006
  -0.43750000  0.06250000  0.00000000       0.006
  -0.37500000  0.06250000  0.00000000       0.006
  -0.31250000  0.06250000  0.00000000       0.006
  -0.25000000  0.06250000  0.00000000       0.006
  -0.18750000  0.06250000  0.00000000       0.006
  -0.12500000  0.06250000  0.00000000       0.006
  -0.06250000  0.06250000  0.00000000       0.003
   0.12500000  0.12500000  0.00000000       0.001
   0.18750000  0.12500000  0.00000000       0.006
   0.25000000  0.12500000  0.00000000       0.006
   0.31250000  0.12500000  0.00000000       0.006
   0.37500000  0.12500000  0.00000000       0.006
   0.43750000  0.12500000  0.00000000       0.006
   0.50000000  0.12500000  0.00000000       0.006
  -0.43750000  0.12500000  0.00000000       0.006
  -0.37500000  0.12500000  0.00000000       0.006
  -0.31250000  0.12500000  0.00000000       0.006
  -0.25000000  0.12500000  0.00000000       0.006
  -0.18750000  0.12500000  0.00000000       0.006
  -0.12500000  0.12500000  0.00000000       0.003
   0.18750000  0.18750000  0.00000000       0.001
   0.25000000  0.18750000  0.00000000       0.006
   0.31250000  0.18750000  0.00000000       0.006
   0.37500000  0.18750000  0.00000000       0.006
   0.43750000  0.18750000  0.00000000       0.006
   0.50000000  0.18750000  0.00000000       0.006
  -0.43750000  0.18750000  0.00000000       0.006
  -0.37500000  0.18750000  0.00000000       0.006
  -0.31250000  0.18750000  0.00000000       0.006
  -0.25000000  0.18750000  0.00000000       0.006
  -0.18750000  0.18750000  0.00000000       0.003
   0.25000000  0.25000000  0.00000000       0.001
   0.31250000  0.25000000  0.00000000       0.006
   0.37500000  0.25000000  0.00000000       0.006
   0.43750000  0.25000000  0.00000000       0.006
   0.50000000  0.25000000  0.00000000       0.006
  -0.43750000  0.25000000  0.00000000       0.006
  -0.37500000  0.25000000  0.00000000       0.006
  -0.31250000  0.25000000  0.00000000       0.006
  -0.25000000  0.25000000  0.00000000       0.003
   0.31250000  0.31250000  0.00000000       0.001
   0.37500000  0.31250000  0.00000000       0.006
   0.43750000  0.31250000  0.00000000       0.006
   0.50000000  0.31250000  0.00000000       0.006
  -0.43750000  0.31250000  0.00000000       0.006
  -0.37500000  0.31250000  0.00000000       0.006
  -0.31250000  0.31250000  0.00000000       0.003
   0.37500000  0.37500000  0.00000000       0.001
   0.43750000  0.37500000  0.00000000       0.006
   0.50000000  0.37500000  0.00000000       0.006
  -0.43750000  0.37500000  0.00000000       0.006
  -0.37500000  0.37500000  0.00000000       0.003
   0.43750000  0.43750000  0.00000000       0.001
   0.50000000  0.43750000  0.00000000       0.006
  -0.43750000  0.43750000  0.00000000       0.003
   0.50000000  0.50000000  0.00000000       0.001
   0.18750000  0.12500000  0.06250000       0.006
   0.25000000  0.12500000  0.06250000       0.012
   0.31250000  0.12500000  0.06250000       0.012
   0.37500000  0.12500000  0.06250000       0.012
   0.43750000  0.12500000  0.06250000       0.012
   0.50000000  0.12500000  0.06250000       0.012
  -0.43750000  0.12500000  0.06250000       0.006
   0.25000000  0.18750000  0.06250000       0.006
   0.31250000  0.18750000  0.06250000       0.012
   0.37500000  0.18750000  0.06250000       0.012
   0.43750000  0.18750000  0.06250000       0.012
   0.50000000  0.18750000  0.06250000       0.012
  -0.43750000  0.18750000  0.06250000       0.012
  -0.37500000  0.18750000  0.06250000       0.012
  -0.31250000  0.18750000  0.06250000       0.012
  -0.25000000  0.18750000  0.06250000       0.012
  -0.18750000  0.18750000  0.06250000       0.012
  -0.12500000  0.18750000  0.06250000       0.006
   0.31250000  0.25000000  0.06250000       0.006
   0.37500000  0.25000000  0.06250000       0.012
   0.43750000  0.25000000  0.06250000       0.012
   0.50000000  0.25000000  0.06250000       0.012
  -0.43750000  0.25000000  0.06250000       0.012
  -0.37500000  0.25000000  0.06250000       0.012
  -0.31250000  0.25000000  0.06250000       0.012
  -0.25000000  0.25000000  0.06250000       0.012
  -0.18750000  0.25000000  0.06250000       0.006
   0.37500000  0.31250000  0.06250000       0.006
   0.43750000  0.31250000  0.06250000       0.012
   0.50000000  0.31250000  0.06250000       0.012
  -0.43750000  0.31250000  0.06250000       0.012
  -0.37500000  0.31250000  0.06250000       0.012
  -0.31250000  0.31250000  0.06250000       0.012
  -0.25000000  0.31250000  0.06250000       0.006
   0.43750000  0.37500000  0.06250000       0.006
   0.50000000  0.37500000  0.06250000       0.012
  -0.43750000  0.37500000  0.06250000       0.012
  -0.37500000  0.37500000  0.06250000       0.012
  -0.31250000  0.37500000  0.06250000       0.006
   0.50000000  0.43750000  0.06250000       0.006
  -0.43750000  0.43750000  0.06250000       0.012
  -0.37500000  0.43750000  0.06250000       0.006
  -0.43750000  0.50000000  0.06250000       0.003
   0.37500000  0.25000000  0.12500000       0.006
   0.43750000  0.25000000  0.12500000       0.012
   0.50000000  0.25000000  0.12500000       0.012
  -0.43750000  0.25000000  0.12500000       0.012
  -0.37500000  0.25000000  0.12500000       0.006
   0.43750000  0.31250000  0.12500000       0.006
   0.50000000  0.31250000  0.12500000       0.012
  -0.43750000  0.31250000  0.12500000       0.012
  -0.37500000  0.31250000  0.12500000       0.012
  -0.31250000  0.31250000  0.12500000       0.012
  -0.25000000  0.31250000  0.12500000       0.012
  -0.18750000  0.31250000  0.12500000       0.006
   0.50000000  0.37500000  0.12500000       0.006
  -0.43750000  0.37500000  0.12500000       0.012
  -0.37500000  0.37500000  0.12500000       0.012
  -0.31250000  0.37500000  0.12500000       0.012
  -0.25000000  0.37500000  0.12500000       0.006
  -0.43750000  0.43750000  0.12500000       0.006
  -0.37500000  0.43750000  0.12500000       0.012
  -0.31250000  0.43750000  0.12500000       0.006
  -0.37500000  0.50000000  0.12500000       0.003
  -0.43750000  0.37500000  0.18750000       0.006
  -0.37500000  0.37500000  0.18750000       0.012
  -0.31250000  0.37500000  0.18750000       0.006
  -0.37500000  0.43750000  0.18750000       0.006
  -0.31250000  0.43750000  0.18750000       0.012
  -0.25000000  0.43750000  0.18750000       0.006
  -0.31250000  0.50000000  0.18750000       0.003
  -0.25000000  0.50000000  0.25000000       0.001

 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.50000000

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
  -3.22705000 -3.22705000 -3.22705000



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     821
 k-point  2 :   0.0625 0.0000 0.0000  plane waves:     797
 k-point  3 :   0.1250 0.0000 0.0000  plane waves:     803
 k-point  4 :   0.1875 0.0000 0.0000  plane waves:     800
 k-point  5 :   0.2500 0.0000 0.0000  plane waves:     797
 k-point  6 :   0.3125 0.0000 0.0000  plane waves:     796
 k-point  7 :   0.3750 0.0000 0.0000  plane waves:     790
 k-point  8 :   0.4375 0.0000 0.0000  plane waves:     799
 k-point  9 :   0.5000 0.0000 0.0000  plane waves:     796
 k-point 10 :   0.0625 0.0625 0.0000  plane waves:     801
 k-point 11 :   0.1250 0.0625 0.0000  plane waves:     799
 k-point 12 :   0.1875 0.0625 0.0000  plane waves:     795
 k-point 13 :   0.2500 0.0625 0.0000  plane waves:     800
 k-point 14 :   0.3125 0.0625 0.0000  plane waves:     798
 k-point 15 :   0.3750 0.0625 0.0000  plane waves:     794
 k-point 16 :   0.4375 0.0625 0.0000  plane waves:     791
 k-point 17 :   0.5000 0.0625 0.0000  plane waves:     790
 k-point 18 :  -0.4375 0.0625 0.0000  plane waves:     790
 k-point 19 :  -0.3750 0.0625 0.0000  plane waves:     790
 k-point 20 :  -0.3125 0.0625 0.0000  plane waves:     792
 k-point 21 :  -0.2500 0.0625 0.0000  plane waves:     795
 k-point 22 :  -0.1875 0.0625 0.0000  plane waves:     800
 k-point 23 :  -0.1250 0.0625 0.0000  plane waves:     804
 k-point 24 :  -0.0625 0.0625 0.0000  plane waves:     807
 k-point 25 :   0.1250 0.1250 0.0000  plane waves:     805
 k-point 26 :   0.1875 0.1250 0.0000  plane waves:     799
 k-point 27 :   0.2500 0.1250 0.0000  plane waves:     800
 k-point 28 :   0.3125 0.1250 0.0000  plane waves:     801
 k-point 29 :   0.3750 0.1250 0.0000  plane waves:     788
 k-point 30 :   0.4375 0.1250 0.0000  plane waves:     798
 k-point 31 :   0.5000 0.1250 0.0000  plane waves:     795
 k-point 32 :  -0.4375 0.1250 0.0000  plane waves:     795
 k-point 33 :  -0.3750 0.1250 0.0000  plane waves:     799
 k-point 34 :  -0.3125 0.1250 0.0000  plane waves:     796
 k-point 35 :  -0.2500 0.1250 0.0000  plane waves:     800
 k-point 36 :  -0.1875 0.1250 0.0000  plane waves:     803
 k-point 37 :  -0.1250 0.1250 0.0000  plane waves:     799
 k-point 38 :   0.1875 0.1875 0.0000  plane waves:     801
 k-point 39 :   0.2500 0.1875 0.0000  plane waves:     809
 k-point 40 :   0.3125 0.1875 0.0000  plane waves:     800
 k-point 41 :   0.3750 0.1875 0.0000  plane waves:     798
 k-point 42 :   0.4375 0.1875 0.0000  plane waves:     800
 k-point 43 :   0.5000 0.1875 0.0000  plane waves:     796
 k-point 44 :  -0.4375 0.1875 0.0000  plane waves:     789
 k-point 45 :  -0.3750 0.1875 0.0000  plane waves:     788
 k-point 46 :  -0.3125 0.1875 0.0000  plane waves:     795
 k-point 47 :  -0.2500 0.1875 0.0000  plane waves:     801
 k-point 48 :  -0.1875 0.1875 0.0000  plane waves:     799
 k-point 49 :   0.2500 0.2500 0.0000  plane waves:     817
 k-point 50 :   0.3125 0.2500 0.0000  plane waves:     804
 k-point 51 :   0.3750 0.2500 0.0000  plane waves:     796
 k-point 52 :   0.4375 0.2500 0.0000  plane waves:     794
 k-point 53 :   0.5000 0.2500 0.0000  plane waves:     788
 k-point 54 :  -0.4375 0.2500 0.0000  plane waves:     790
 k-point 55 :  -0.3750 0.2500 0.0000  plane waves:     791
 k-point 56 :  -0.3125 0.2500 0.0000  plane waves:     792
 k-point 57 :  -0.2500 0.2500 0.0000  plane waves:     792
 k-point 58 :   0.3125 0.3125 0.0000  plane waves:     801
 k-point 59 :   0.3750 0.3125 0.0000  plane waves:     790
 k-point 60 :   0.4375 0.3125 0.0000  plane waves:     786
 k-point 61 :   0.5000 0.3125 0.0000  plane waves:     786
 k-point 62 :  -0.4375 0.3125 0.0000  plane waves:     785
 k-point 63 :  -0.3750 0.3125 0.0000  plane waves:     792
 k-point 64 :  -0.3125 0.3125 0.0000  plane waves:     790
 k-point 65 :   0.3750 0.3750 0.0000  plane waves:     801
 k-point 66 :   0.4375 0.3750 0.0000  plane waves:     790
 k-point 67 :   0.5000 0.3750 0.0000  plane waves:     786
 k-point 68 :  -0.4375 0.3750 0.0000  plane waves:     790
 k-point 69 :  -0.3750 0.3750 0.0000  plane waves:     786
 k-point 70 :   0.4375 0.4375 0.0000  plane waves:     789
 k-point 71 :   0.5000 0.4375 0.0000  plane waves:     787
 k-point 72 :  -0.4375 0.4375 0.0000  plane waves:     778
 k-point 73 :   0.5000 0.5000 0.0000  plane waves:     790
 k-point 74 :   0.1875 0.1250 0.0625  plane waves:     801
 k-point 75 :   0.2500 0.1250 0.0625  plane waves:     802
 k-point 76 :   0.3125 0.1250 0.0625  plane waves:     798
 k-point 77 :   0.3750 0.1250 0.0625  plane waves:     796
 k-point 78 :   0.4375 0.1250 0.0625  plane waves:     795
 k-point 79 :   0.5000 0.1250 0.0625  plane waves:     792
 k-point 80 :  -0.4375 0.1250 0.0625  plane waves:     792
 k-point 81 :   0.2500 0.1875 0.0625  plane waves:     800
 k-point 82 :   0.3125 0.1875 0.0625  plane waves:     800
 k-point 83 :   0.3750 0.1875 0.0625  plane waves:     799
 k-point 84 :   0.4375 0.1875 0.0625  plane waves:     797
 k-point 85 :   0.5000 0.1875 0.0625  plane waves:     792
 k-point 86 :  -0.4375 0.1875 0.0625  plane waves:     796
 k-point 87 :  -0.3750 0.1875 0.0625  plane waves:     795
 k-point 88 :  -0.3125 0.1875 0.0625  plane waves:     796
 k-point 89 :  -0.2500 0.1875 0.0625  plane waves:     802
 k-point 90 :  -0.1875 0.1875 0.0625  plane waves:     801
 k-point 91 :  -0.1250 0.1875 0.0625  plane waves:     802
 k-point 92 :   0.3125 0.2500 0.0625  plane waves:     808
 k-point 93 :   0.3750 0.2500 0.0625  plane waves:     799
 k-point 94 :   0.4375 0.2500 0.0625  plane waves:     798
 k-point 95 :   0.5000 0.2500 0.0625  plane waves:     791
 k-point 96 :  -0.4375 0.2500 0.0625  plane waves:     796
 k-point 97 :  -0.3750 0.2500 0.0625  plane waves:     794
 k-point 98 :  -0.3125 0.2500 0.0625  plane waves:     788
 k-point 99 :  -0.2500 0.2500 0.0625  plane waves:     794
 k-point ** :  -0.1875 0.2500 0.0625  plane waves:     792
 k-point ** :   0.3750 0.3125 0.0625  plane waves:     803
 k-point ** :   0.4375 0.3125 0.0625  plane waves:     794
 k-point ** :   0.5000 0.3125 0.0625  plane waves:     784
 k-point ** :  -0.4375 0.3125 0.0625  plane waves:     790
 k-point ** :  -0.3750 0.3125 0.0625  plane waves:     791
 k-point ** :  -0.3125 0.3125 0.0625  plane waves:     794
 k-point ** :  -0.2500 0.3125 0.0625  plane waves:     788
 k-point ** :   0.4375 0.3750 0.0625  plane waves:     791
 k-point ** :   0.5000 0.3750 0.0625  plane waves:     785
 k-point ** :  -0.4375 0.3750 0.0625  plane waves:     783
 k-point ** :  -0.3750 0.3750 0.0625  plane waves:     787
 k-point ** :  -0.3125 0.3750 0.0625  plane waves:     793
 k-point ** :   0.5000 0.4375 0.0625  plane waves:     783
 k-point ** :  -0.4375 0.4375 0.0625  plane waves:     784
 k-point ** :  -0.3750 0.4375 0.0625  plane waves:     786
 k-point ** :  -0.4375 0.5000 0.0625  plane waves:     788
 k-point ** :   0.3750 0.2500 0.1250  plane waves:     800
 k-point ** :   0.4375 0.2500 0.1250  plane waves:     796
 k-point ** :   0.5000 0.2500 0.1250  plane waves:     794
 k-point ** :  -0.4375 0.2500 0.1250  plane waves:     791
 k-point ** :  -0.3750 0.2500 0.1250  plane waves:     802
 k-point ** :   0.4375 0.3125 0.1250  plane waves:     794
 k-point ** :   0.5000 0.3125 0.1250  plane waves:     790
 k-point ** :  -0.4375 0.3125 0.1250  plane waves:     791
 k-point ** :  -0.3750 0.3125 0.1250  plane waves:     792
 k-point ** :  -0.3125 0.3125 0.1250  plane waves:     794
 k-point ** :  -0.2500 0.3125 0.1250  plane waves:     793
 k-point ** :  -0.1875 0.3125 0.1250  plane waves:     789
 k-point ** :   0.5000 0.3750 0.1250  plane waves:     793
 k-point ** :  -0.4375 0.3750 0.1250  plane waves:     788
 k-point ** :  -0.3750 0.3750 0.1250  plane waves:     786
 k-point ** :  -0.3125 0.3750 0.1250  plane waves:     787
 k-point ** :  -0.2500 0.3750 0.1250  plane waves:     788
 k-point ** :  -0.4375 0.4375 0.1250  plane waves:     785
 k-point ** :  -0.3750 0.4375 0.1250  plane waves:     783
 k-point ** :  -0.3125 0.4375 0.1250  plane waves:     777
 k-point ** :  -0.3750 0.5000 0.1250  plane waves:     786
 k-point ** :  -0.4375 0.3750 0.1875  plane waves:     789
 k-point ** :  -0.3750 0.3750 0.1875  plane waves:     788
 k-point ** :  -0.3125 0.3750 0.1875  plane waves:     788
 k-point ** :  -0.3750 0.4375 0.1875  plane waves:     787
 k-point ** :  -0.3125 0.4375 0.1875  plane waves:     780
 k-point ** :  -0.2500 0.4375 0.1875  plane waves:     782
 k-point ** :  -0.3125 0.5000 0.1875  plane waves:     774
 k-point ** :  -0.2500 0.5000 0.2500  plane waves:     772

 maximum and minimum number of plane-waves per node :       821      772

 maximum number of plane-waves:       821
 maximum index in each direction: 
   IXMAX=    6   IYMAX=    6   IZMAX=    6
   IXMIN=   -6   IYMIN=   -6   IZMIN=   -6


 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    81592. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      34353. kBytes
   fftplans  :       1158. kBytes
   grid      :       2182. kBytes
   one-center:         31. kBytes
   wavefun   :      13868. kBytes

     INWAV:  cpu time    0.0001: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 13   NGY = 13   NGZ = 13
  (NGX  = 40   NGY  = 40   NGZ  = 40)
  gives a total of   2197 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      20.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         3365 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.436
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0010: real time    0.0010


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


    POTLOK:  cpu time    0.0480: real time    0.0635
    SETDIJ:  cpu time    0.0080: real time    0.0105
     EDDAV:  cpu time    2.5675: real time    3.0607
       DOS:  cpu time    0.0047: real time    0.0053
    --------------------------------------------
      LOOP:  cpu time    2.6282: real time    3.1400

 eigenvalue-minimisations  :  4122
 total energy-change (2. order) : 0.1268001E+03  (-0.6967137E+03)
 number of electron      20.0000000 magnetization 
 augmentation part       20.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -504.09128302
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.81894978
  PAW double counting   =      1643.15449491    -1588.00105475
  entropy T*S    EENTRO =        -0.00362993
  eigenvalues    EBANDS =        35.75505641
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       126.80013525 eV

  energy without entropy =      126.80376517  energy(sigma->0) =      126.80195021


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




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


     EDDAV:  cpu time    2.8853: real time    3.5178
       DOS:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    2.8887: real time    3.5213

 eigenvalue-minimisations  :  4432
 total energy-change (2. order) :-0.1263492E+03  (-0.1242221E+03)
 number of electron      20.0000000 magnetization 
 augmentation part       20.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -504.09128302
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.81894978
  PAW double counting   =      1643.15449491    -1588.00105475
  entropy T*S    EENTRO =        -0.00083293
  eigenvalues    EBANDS =       -90.59697437
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         0.45090146 eV

  energy without entropy =        0.45173439  energy(sigma->0) =        0.45131792


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




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


     EDDAV:  cpu time    3.3142: real time    3.7716
       DOS:  cpu time    0.0025: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time    3.3167: real time    3.7743

 eigenvalue-minimisations  :  5290
 total energy-change (2. order) :-0.7906891E+01  (-0.7844026E+01)
 number of electron      20.0000000 magnetization 
 augmentation part       20.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -504.09128302
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.81894978
  PAW double counting   =      1643.15449491    -1588.00105475
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =       -98.50469855
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.45598979 eV

  energy without entropy =       -7.45598979  energy(sigma->0) =       -7.45598979


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




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


     EDDAV:  cpu time    3.1115: real time    3.8505
       DOS:  cpu time    0.0026: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    3.1141: real time    3.8543

 eigenvalue-minimisations  :  5142
 total energy-change (2. order) :-0.1568964E+00  (-0.1568631E+00)
 number of electron      20.0000000 magnetization 
 augmentation part       20.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -504.09128302
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.81894978
  PAW double counting   =      1643.15449491    -1588.00105475
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =       -98.66159493
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.61288617 eV

  energy without entropy =       -7.61288617  energy(sigma->0) =       -7.61288617


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




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


     EDDAV:  cpu time    3.1460: real time    3.5936
       DOS:  cpu time    0.0027: real time    0.0029
    CHARGE:  cpu time    0.1401: real time    0.1504
    MIXING:  cpu time    0.0030: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time    3.2918: real time    3.7511

 eigenvalue-minimisations  :  5304
 total energy-change (2. order) :-0.3625052E-02  (-0.3625023E-02)
 number of electron      20.0000079 magnetization 
 augmentation part        4.3521741 magnetization 

 Broyden mixing:
  rms(total) = 0.33602E+00    rms(broyden)= 0.33599E+00
  rms(prec ) = 0.61607E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -504.09128302
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.81894978
  PAW double counting   =      1643.15449491    -1588.00105475
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =       -98.66521998
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.61651123 eV

  energy without entropy =       -7.61651123  energy(sigma->0) =       -7.61651123


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




--------------------------------------- Iteration      1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0333: real time    0.0428
    SETDIJ:  cpu time    0.0063: real time    0.0079
     EDDAV:  cpu time    3.8797: real time    5.6389
       DOS:  cpu time    0.0057: real time    0.0064
    CHARGE:  cpu time    0.1745: real time    0.2089
    MIXING:  cpu time    0.0014: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time    4.1009: real time    5.9063

 eigenvalue-minimisations  :  5456
 total energy-change (2. order) : 0.1182372E+00  (-0.2758167E-01)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3860490 magnetization 

 Broyden mixing:
  rms(total) = 0.20781E+00    rms(broyden)= 0.20780E+00
  rms(prec ) = 0.27990E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.3523
  2.3523

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -501.50632839
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.84875265
  PAW double counting   =      1710.67568973    -1655.06853623
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -101.61545364
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49827403 eV

  energy without entropy =       -7.49827403  energy(sigma->0) =       -7.49827403


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




--------------------------------------- Iteration      1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.0388: real time    0.0636
    SETDIJ:  cpu time    0.0049: real time    0.0051
     EDDAV:  cpu time    3.4172: real time    4.5495
       DOS:  cpu time    0.0035: real time    0.0037
    CHARGE:  cpu time    0.1493: real time    0.1569
    MIXING:  cpu time    0.0012: real time    0.0012
    --------------------------------------------
      LOOP:  cpu time    3.6150: real time    4.7800

 eigenvalue-minimisations  :  5078
 total energy-change (2. order) : 0.3684834E-02  (-0.8729953E-02)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3961195 magnetization 

 Broyden mixing:
  rms(total) = 0.91522E-01    rms(broyden)= 0.91522E-01
  rms(prec ) = 0.10824E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8740
  1.2297  2.5183

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.48604578
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.89888234
  PAW double counting   =      1803.49546564    -1747.75323951
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.81725373
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49458920 eV

  energy without entropy =       -7.49458920  energy(sigma->0) =       -7.49458920


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




--------------------------------------- Iteration      1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.0510: real time    0.0549
    SETDIJ:  cpu time    0.0080: real time    0.0081
     EDDAV:  cpu time    2.8306: real time    3.3920
       DOS:  cpu time    0.0080: real time    0.0083
    CHARGE:  cpu time    0.1391: real time    0.1766
    MIXING:  cpu time    0.0012: real time    0.0013
    --------------------------------------------
      LOOP:  cpu time    3.0378: real time    3.6411

 eigenvalue-minimisations  :  4444
 total energy-change (2. order) :-0.1717715E-02  (-0.9877161E-03)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3872391 magnetization 

 Broyden mixing:
  rms(total) = 0.14176E-01    rms(broyden)= 0.14176E-01
  rms(prec ) = 0.22885E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6977
  2.3233  1.3850  1.3850

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.82389434
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.94546066
  PAW double counting   =      1883.25509835    -1827.69515062
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.34542280
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49630691 eV

  energy without entropy =       -7.49630691  energy(sigma->0) =       -7.49630691


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




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


    POTLOK:  cpu time    0.0492: real time    0.0803
    SETDIJ:  cpu time    0.0079: real time    0.0135
     EDDAV:  cpu time    3.7506: real time    4.6422
       DOS:  cpu time    0.0027: real time    0.0029
    CHARGE:  cpu time    0.1319: real time    0.1566
    MIXING:  cpu time    0.0012: real time    0.0013
    --------------------------------------------
      LOOP:  cpu time    3.9435: real time    4.8967

 eigenvalue-minimisations  :  5972
 total energy-change (2. order) : 0.4305852E-04  (-0.1021687E-03)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3896518 magnetization 

 Broyden mixing:
  rms(total) = 0.57312E-02    rms(broyden)= 0.57312E-02
  rms(prec ) = 0.90665E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6283
  2.3879  0.9464  1.7294  1.4494

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.61034764
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.94521041
  PAW double counting   =      1881.98456444    -1826.40335089
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.57994202
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49626386 eV

  energy without entropy =       -7.49626386  energy(sigma->0) =       -7.49626386


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




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


    POTLOK:  cpu time    0.0341: real time    0.0475
    SETDIJ:  cpu time    0.0127: real time    0.0205
     EDDAV:  cpu time    3.3853: real time    5.3183
       DOS:  cpu time    0.0043: real time    0.0052
    CHARGE:  cpu time    0.1451: real time    0.1768
    MIXING:  cpu time    0.0014: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time    3.5828: real time    5.5696

 eigenvalue-minimisations  :  4204
 total energy-change (2. order) :-0.4203308E-04  (-0.1206741E-04)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3890765 magnetization 

 Broyden mixing:
  rms(total) = 0.20885E-02    rms(broyden)= 0.20885E-02
  rms(prec ) = 0.32506E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7973
  2.7613  2.7613  1.2386  1.2386  0.9868

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.63153629
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.94908445
  PAW double counting   =      1884.76955093    -1829.21069646
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.54031036
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49630589 eV

  energy without entropy =       -7.49630589  energy(sigma->0) =       -7.49630589


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




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


    POTLOK:  cpu time    0.0363: real time    0.0435
    SETDIJ:  cpu time    0.0044: real time    0.0044
     EDDAV:  cpu time    3.0468: real time    3.8967
       DOS:  cpu time    0.0038: real time    0.0040
    CHARGE:  cpu time    0.1327: real time    0.1978
    MIXING:  cpu time    0.0013: real time    0.0013
    --------------------------------------------
      LOOP:  cpu time    3.2252: real time    4.1477

 eigenvalue-minimisations  :  4972
 total energy-change (2. order) :-0.7339678E-05  (-0.3329806E-05)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3886654 magnetization 

 Broyden mixing:
  rms(total) = 0.12467E-02    rms(broyden)= 0.12467E-02
  rms(prec ) = 0.16279E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7281
  3.1080  2.5338  1.5308  1.3644  1.0354  0.7961

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.67058043
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.95173186
  PAW double counting   =      1884.59080314    -1829.04242415
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.49344549
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49631323 eV

  energy without entropy =       -7.49631323  energy(sigma->0) =       -7.49631323


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




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


    POTLOK:  cpu time    0.0354: real time    0.0581
    SETDIJ:  cpu time    0.0065: real time    0.0080
     EDDAV:  cpu time    2.8978: real time    3.9534
       DOS:  cpu time    0.0075: real time    0.0092
    --------------------------------------------
      LOOP:  cpu time    2.9471: real time    4.0287

 eigenvalue-minimisations  :  4792
 total energy-change (2. order) :-0.1997205E-07  (-0.2223885E-06)
 number of electron      20.0000078 magnetization 
 augmentation part        4.3886654 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        36.16034624
  Ewald energy   TEWEN  =     -1390.83092711
  -Hartree energ DENC   =      -500.67951215
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =         9.95214163
  PAW double counting   =      1884.53219986    -1828.98236830
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =      -102.48637613
  atomic energy  EATOM  =      1884.83818271
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        -7.49631325 eV

  energy without entropy =       -7.49631325  energy(sigma->0) =       -7.49631325


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




 average (electrostatic) potential at core
  the test charge radii are     1.1541  1.1897
  (the norm of the test charge is              1.0000)
       1 -91.5795       2 -88.1832



 E-fermi :   6.0371     XC(G=0):  -9.3169     alpha+bet :-10.8597


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0380      2.00000
      2     -11.0380      2.00000
      3     -11.0293      2.00000
      4     -11.0293      2.00000
      5     -11.0293      2.00000
      6      -6.3776      2.00000
      7       0.0844      2.00000
      8       4.3115      2.00000
      9       4.3115      2.00000
     10       4.3115      2.00000
     11       9.7539      0.00000
     12       9.7539      0.00000
     13       9.7539      0.00000
     14      11.4615      0.00000

 k-point     2 :       0.0625    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0380      2.00000
      2     -11.0380      2.00000
      3     -11.0288      2.00000
      4     -11.0284      2.00000
      5     -11.0284      2.00000
      6      -6.3437      2.00000
      7      -0.0342      2.00000
      8       4.3214      2.00000
      9       4.3214      2.00000
     10       4.3811      2.00000
     11       9.5125      0.00000
     12       9.5777      0.00000
     13       9.5777      0.00000
     14      11.3876      0.00000

 k-point     3 :       0.1250    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0395      2.00000
      2     -11.0395      2.00000
      3     -11.0286      2.00000
      4     -11.0268      2.00000
      5     -11.0268      2.00000
      6      -6.2429      2.00000
      7      -0.3579      2.00000
      8       4.3516      2.00000
      9       4.3516      2.00000
     10       4.5596      2.00000
     11       8.9752      0.00000
     12       9.1532      0.00000
     13       9.1532      0.00000
     14      11.3041      0.00000

 k-point     4 :       0.1875    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0418      2.00000
      2     -11.0418      2.00000
      3     -11.0282      2.00000
      4     -11.0238      2.00000
      5     -11.0238      2.00000
      6      -6.0781      2.00000
      7      -0.8178      2.00000
      8       4.4033      2.00000
      9       4.4033      2.00000
     10       4.7861      2.00000
     11       8.3697      0.00000
     12       8.6363      0.00000
     13       8.6363      0.00000
     14      11.3642      0.00000

 k-point     5 :       0.2500    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0448      2.00000
      2     -11.0448      2.00000
      3     -11.0276      2.00000
      4     -11.0203      2.00000
      5     -11.0203      2.00000
      6      -5.8552      2.00000
      7      -1.3468      2.00000
      8       4.4762      2.00000
      9       4.4762      2.00000
     10       5.0141      2.00000
     11       7.7935      0.00000
     12       8.1200      0.00000
     13       8.1200      0.00000
     14      11.6227      0.00000

 k-point     6 :       0.3125    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0480      2.00000
      2     -11.0480      2.00000
      3     -11.0270      2.00000
      4     -11.0167      2.00000
      5     -11.0167      2.00000
      6      -5.5863      2.00000
      7      -1.8893      2.00000
      8       4.5665      2.00000
      9       4.5665      2.00000
     10       5.2251      2.00000
     11       7.2830      0.00000
     12       7.6549      0.00000
     13       7.6549      0.00000
     14      12.0830      0.00000

 k-point     7 :       0.3750    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0506      2.00000
      2     -11.0506      2.00000
      3     -11.0266      2.00000
      4     -11.0135      2.00000
      5     -11.0135      2.00000
      6      -5.2966      2.00000
      7      -2.3917      2.00000
      8       4.6626      2.00000
      9       4.6626      2.00000
     10       5.4191      2.00000
     11       6.8559      0.00000
     12       7.2778      0.00000
     13       7.2778      0.00000
     14      12.7211      0.00000

 k-point     8 :       0.4375    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0525      2.00000
      2     -11.0525      2.00000
      3     -11.0265      2.00000
      4     -11.0115      2.00000
      5     -11.0115      2.00000
      6      -5.0426      2.00000
      7      -2.7796      2.00000
      8       4.7415      2.00000
      9       4.7415      2.00000
     10       5.5896      2.00000
     11       6.5366      0.00000
     12       7.0254      0.00000
     13       7.0254      0.00000
     14      13.4849      0.00000

 k-point     9 :       0.5000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -11.0531      2.00000
      2     -11.0531      2.00000
      3     -11.0265      2.00000
      4     -11.0107      2.00000
      5     -11.0107      2.00000
      6      -4.9322      2.00000
      7      -2.9357      2.00000
      8       4.7731      2.00000
      9       4.7731      2.00000
     10       5.6736      2.00000
     11       6.4016      0.00000
     12       6.9353      0.00000
     13       6.9353      0.00000
     14      14.0703      0.00000

 k-point    10 :       0.0625    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0393      2.00000
      2     -11.0372      2.00000
      3     -11.0292      2.00000
      4     -11.0281      2.00000
      5     -11.0281      2.00000
      6      -6.3324      2.00000
      7      -0.0665      2.00000
      8       4.2413      2.00000
      9       4.2413      2.00000
     10       4.5623      2.00000
     11       9.0759      0.00000
     12       9.7499      0.00000
     13       9.7499      0.00000
     14      11.1655      0.00000

 k-point    11 :       0.1250    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0412      2.00000
      2     -11.0373      2.00000
      3     -11.0294      2.00000
      4     -11.0267      2.00000
      5     -11.0264      2.00000
      6      -6.2539      2.00000
      7      -0.3046      2.00000
      8       4.1869      2.00000
      9       4.2137      2.00000
     10       4.8081      2.00000
     11       8.4828      0.00000
     12       9.5485      0.00000
     13       9.5920      0.00000
     14      11.0127      0.00000

 k-point    12 :       0.1875    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0438      2.00000
      2     -11.0388      2.00000
      3     -11.0290      2.00000
      4     -11.0246      2.00000
      5     -11.0235      2.00000
      6      -6.1104      2.00000
      7      -0.6993      2.00000
      8       4.1652      2.00000
      9       4.2509      2.00000
     10       5.0472      2.00000
     11       7.8991      0.00000
     12       9.0972      0.00000
     13       9.2080      0.00000
     14      11.0288      0.00000

 k-point    13 :       0.2500    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0469      2.00000
      2     -11.0414      2.00000
      3     -11.0284      2.00000
      4     -11.0221      2.00000
      5     -11.0200      2.00000
      6      -5.9069      2.00000
      7      -1.1881      2.00000
      8       4.1818      2.00000
      9       4.3267      2.00000
     10       5.2339      2.00000
     11       7.3996      0.00000
     12       8.5868      0.00000
     13       8.7336      0.00000
     14      11.2137      0.00000

 k-point    14 :       0.3125    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0501      2.00000
      2     -11.0445      2.00000
      3     -11.0274      2.00000
      4     -11.0189      2.00000
      5     -11.0164      2.00000
      6      -5.6530      2.00000
      7      -1.7136      2.00000
      8       4.2397      2.00000
      9       4.4197      2.00000
     10       5.3233      2.00000
     11       7.0463      0.00000
     12       8.1033      0.00000
     13       8.2522      0.00000
     14      11.5842      0.00000

 k-point    15 :       0.3750    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0527      2.00000
      2     -11.0477      2.00000
      3     -11.0266      2.00000
      4     -11.0158      2.00000
      5     -11.0131      2.00000
      6      -5.3683      2.00000
      7      -2.2226      2.00000
      8       4.3378      2.00000
      9       4.5041      2.00000
     10       5.3035      2.00000
     11       6.8751      0.00000
     12       7.6942      0.00000
     13       7.8092      0.00000
     14      12.1329      0.00000

 k-point    16 :       0.4375    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0542      2.00000
      2     -11.0503      2.00000
      3     -11.0260      2.00000
      4     -11.0131      2.00000
      5     -11.0111      2.00000
      6      -5.0962      2.00000
      7      -2.6501      2.00000
      8       4.4685      2.00000
      9       4.5278      2.00000
     10       5.2608      2.00000
     11       6.8193      0.00000
     12       7.4278      0.00000
     13       7.4343      0.00000
     14      12.8271      0.00000

 k-point    17 :       0.5000    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0545      2.00000
      2     -11.0518      2.00000
      3     -11.0258      2.00000
      4     -11.0116      2.00000
      5     -11.0104      2.00000
      6      -4.9265      2.00000
      7      -2.8932      2.00000
      8       4.4428      2.00000
      9       4.6136      2.00000
     10       5.3100      2.00000
     11       6.7238      0.00000
     12       7.1561      0.00000
     13       7.4178      0.00000
     14      13.5643      0.00000

 k-point    18 :      -0.4375    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0537      2.00000
      2     -11.0523      2.00000
      3     -11.0258      2.00000
      4     -11.0113      2.00000
      5     -11.0112      2.00000
      6      -4.9638      2.00000
      7      -2.8422      2.00000
      8       4.2964      2.00000
      9       4.7409      2.00000
     10       5.4262      2.00000
     11       6.6171      0.00000
     12       7.0100      0.00000
     13       7.6261      0.00000
     14      13.5049      0.00000

 k-point    19 :      -0.3750    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0517      2.00000
      2     -11.0515      2.00000
      3     -11.0260      2.00000
      4     -11.0134      2.00000
      5     -11.0123      2.00000
      6      -5.1809      2.00000
      7      -2.5253      2.00000
      8       4.1554      2.00000
      9       4.8112      2.00000
     10       5.4962      2.00000
     11       6.6485      0.00000
     12       7.0334      0.00000
     13       7.9478      0.00000
     14      12.7725      0.00000

 k-point    20 :      -0.3125    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0499      2.00000
      2     -11.0484      2.00000
      3     -11.0265      2.00000
      4     -11.0166      2.00000
      5     -11.0145      2.00000
      6      -5.4645      2.00000
      7      -2.0637      2.00000
      8       4.0518      2.00000
      9       4.8053      2.00000
     10       5.4424      2.00000
     11       6.8908      0.00000
     12       7.2391      0.00000
     13       8.3377      0.00000
     14      12.1190      0.00000

 k-point    21 :      -0.2500    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0473      2.00000
      2     -11.0451      2.00000
      3     -11.0273      2.00000
      4     -11.0201      2.00000
      5     -11.0177      2.00000
      6      -5.7423      2.00000
      7      -1.5453      2.00000
      8       3.9982      2.00000
      9       4.7386      2.00000
     10       5.2866      2.00000
     11       7.3039      0.00000
     12       7.6009      0.00000
     13       8.7667      0.00000
     14      11.6333      0.00000

 k-point    22 :      -0.1875    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0444      2.00000
      2     -11.0419      2.00000
      3     -11.0282      2.00000
      4     -11.0235      2.00000
      5     -11.0212      2.00000
      6      -5.9810      2.00000
      7      -1.0284      2.00000
      8       3.9991      2.00000
      9       4.6393      2.00000
     10       5.0680      2.00000
     11       7.8293      0.00000
     12       8.0738      0.00000
     13       9.1965      0.00000
     14      11.3444      0.00000

 k-point    23 :      -0.1250    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0418      2.00000
      2     -11.0395      2.00000
      3     -11.0287      2.00000
      4     -11.0263      2.00000
      5     -11.0244      2.00000
      6      -6.1653      2.00000
      7      -0.5653      2.00000
      8       4.0560      2.00000
      9       4.5287      2.00000
     10       4.8154      2.00000
     11       8.4227      0.00000
     12       8.6097      0.00000
     13       9.5601      0.00000
     14      11.2412      0.00000

 k-point    24 :      -0.0625    0.0625    0.0000
  band No.  band energies     occupation 
      1     -11.0398      2.00000
      2     -11.0383      2.00000
      3     -11.0290      2.00000
      4     -11.0279      2.00000
      5     -11.0271      2.00000
      6      -6.2875      2.00000
      7      -0.2139      2.00000
      8       4.1691      2.00000
      9       4.4197      2.00000
     10       4.5656      2.00000
     11       9.0271      0.00000
     12       9.1463      0.00000
     13       9.7330      0.00000
     14      11.2695      0.00000

 k-point    25 :       0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0441      2.00000
      2     -11.0362      2.00000
      3     -11.0306      2.00000
      4     -11.0253      2.00000
      5     -11.0253      2.00000
      6      -6.1982      2.00000
      7      -0.4210      2.00000
      8       4.0502      2.00000
      9       4.0502      2.00000
     10       5.1262      2.00000
     11       7.9013      0.00000
     12       9.7906      0.00000
     13       9.7906      0.00000
     14      10.6424      0.00000

 k-point    26 :       0.1875    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0476      2.00000
      2     -11.0360      2.00000
      3     -11.0308      2.00000
      4     -11.0233      2.00000
      5     -11.0228      2.00000
      6      -6.0773      2.00000
      7      -0.6955      2.00000
      8       3.9533      2.00000
      9       3.9772      2.00000
     10       5.3103      2.00000
     11       7.4701      0.00000
     12       9.6259      0.00000
     13       9.6844      0.00000
     14      10.5220      0.00000

 k-point    27 :       0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0513      2.00000
      2     -11.0376      2.00000
      3     -11.0304      2.00000
      4     -11.0212      2.00000
      5     -11.0193      2.00000
      6      -5.8956      2.00000
      7      -1.0901      2.00000
      8       3.9051      2.00000
      9       3.9813      2.00000
     10       5.2567      2.00000
     11       7.2992      0.00000
     12       9.2301      0.00000
     13       9.3555      0.00000
     14      10.6081      0.00000

 k-point    28 :       0.3125    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0550      2.00000
      2     -11.0402      2.00000
      3     -11.0293      2.00000
      4     -11.0188      2.00000
      5     -11.0158      2.00000
      6      -5.6612      2.00000
      7      -1.5541      2.00000
      8       3.9115      2.00000
      9       4.0323      2.00000
     10       5.0055      2.00000
     11       7.3567      0.00000
     12       8.7958      0.00000
     13       8.9276      0.00000
     14      10.8603      0.00000

 k-point    29 :       0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0576      2.00000
      2     -11.0431      2.00000
      3     -11.0277      2.00000
      4     -11.0164      2.00000
      5     -11.0123      2.00000
      6      -5.3904      2.00000
      7      -2.0338      2.00000
      8       3.9751      2.00000
      9       4.0771      2.00000
     10       4.7293      2.00000
     11       7.4960      0.00000
     12       8.4114      0.00000
     13       8.4814      0.00000
     14      11.2904      0.00000

 k-point    30 :       0.4375    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0593      2.00000
      2     -11.0464      2.00000
      3     -11.0262      2.00000
      4     -11.0149      2.00000
      5     -11.0105      2.00000
      6      -5.1162      2.00000
      7      -2.4684      2.00000
      8       3.9977      2.00000
      9       4.0946      2.00000
     10       4.6296      2.00000
     11       7.5453      0.00000
     12       8.0596      0.00000
     13       8.2058      0.00000
     14      11.8870      0.00000

 k-point    31 :       0.5000    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0593      2.00000
      2     -11.0488      2.00000
      3     -11.0251      2.00000
      4     -11.0135      2.00000
      5     -11.0098      2.00000
      6      -4.9085      2.00000
      7      -2.7706      2.00000
      8       3.7925      2.00000
      9       4.2632      2.00000
     10       4.7468      2.00000
     11       7.3735      0.00000
     12       7.6877      0.00000
     13       8.3035      0.00000
     14      12.6116      0.00000

 k-point    32 :      -0.4375    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0580      2.00000
      2     -11.0505      2.00000
      3     -11.0245      2.00000
      4     -11.0128      2.00000
      5     -11.0106      2.00000
      6      -4.8720      2.00000
      7      -2.8273      2.00000
      8       3.5945      2.00000
      9       4.4652      2.00000
     10       4.9627      2.00000
     11       7.1347      0.00000
     12       7.3879      0.00000
     13       8.5535      0.00000
     14      13.2371      0.00000

 k-point    33 :      -0.3750    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0553      2.00000
      2     -11.0510      2.00000
      3     -11.0247      2.00000
      4     -11.0130      2.00000
      5     -11.0128      2.00000
      6      -5.0327      2.00000
      7      -2.6115      2.00000
      8       3.4577      2.00000
      9       4.6694      2.00000
     10       5.2159      2.00000
     11       6.9354      0.00000
     12       7.1902      0.00000
     13       8.8563      0.00000
     14      12.7888      0.00000

 k-point    34 :      -0.3125    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0516      2.00000
      2     -11.0503      2.00000
      3     -11.0253      2.00000
      4     -11.0158      2.00000
      5     -11.0140      2.00000
      6      -5.2953      2.00000
      7      -2.2256      2.00000
      8       3.4002      2.00000
      9       4.8255      2.00000
     10       5.4386      2.00000
     11       6.8408      0.00000
     12       7.1392      0.00000
     13       9.1726      0.00000
     14      12.1811      0.00000

 k-point    35 :      -0.2500    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0488      2.00000
      2     -11.0476      2.00000
      3     -11.0265      2.00000
      4     -11.0192      2.00000
      5     -11.0158      2.00000
      6      -5.5732      2.00000
      7      -1.7705      2.00000
      8       3.4308      2.00000
      9       4.8818      2.00000
     10       5.5132      2.00000
     11       6.9528      0.00000
     12       7.2773      0.00000
     13       9.4600      0.00000
     14      11.7429      0.00000

 k-point    36 :      -0.1875    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0465      2.00000
      2     -11.0439      2.00000
      3     -11.0277      2.00000
      4     -11.0224      2.00000
      5     -11.0185      2.00000
      6      -5.8228      2.00000
      7      -1.3112      2.00000
      8       3.5535      2.00000
      9       4.8281      2.00000
     10       5.3851      2.00000
     11       7.3088      0.00000
     12       7.6031      0.00000
     13       9.6637      0.00000
     14      11.4887      0.00000

 k-point    37 :      -0.1250    0.1250    0.0000
  band No.  band energies     occupation 
      1     -11.0441      2.00000
      2     -11.0409      2.00000
      3     -11.0283      2.00000
      4     -11.0247      2.00000
      5     -11.0215      2.00000
      6      -6.0235      2.00000
      7      -0.8956      2.00000
      8       3.7663      2.00000
      9       4.6973      2.00000
     10       5.1260      2.00000
     11       7.8266      0.00000
     12       8.0683      0.00000
     13       9.7280      0.00000
     14      11.3293      0.00000

 k-point    38 :       0.1875    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0525      2.00000
      2     -11.0341      2.00000
      3     -11.0322      2.00000
      4     -11.0210      2.00000
      5     -11.0210      2.00000
      6      -5.9799      2.00000
      7      -0.8232      2.00000
      8       3.7852      2.00000
      9       3.7852      2.00000
     10       5.2114      2.00000
     11       7.4340      0.00000
     12       9.9335      0.00000
     13       9.9335      0.00000
     14      10.1419      0.00000

 k-point    39 :       0.2500    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0577      2.00000
      2     -11.0341      2.00000
      3     -11.0327      2.00000
      4     -11.0189      2.00000
      5     -11.0183      2.00000
      6      -5.8221      2.00000
      7      -1.0795      2.00000
      8       3.6725      2.00000
      9       3.6917      2.00000
     10       4.8241      2.00000
     11       7.7062      0.00000
     12       9.7399      0.00000
     13       9.8820      0.00000
     14      10.1529      0.00000

 k-point    40 :       0.3125    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0620      2.00000
      2     -11.0356      2.00000
      3     -11.0320      2.00000
      4     -11.0165      2.00000
      5     -11.0147      2.00000
      6      -5.6115      2.00000
      7      -1.4362      2.00000
      8       3.6228      2.00000
      9       3.6741      2.00000
     10       4.3755      2.00000
     11       8.0588      0.00000
     12       9.4271      0.00000
     13       9.6001      0.00000
     14      10.2818      0.00000

 k-point    41 :       0.3750    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0654      2.00000
      2     -11.0381      2.00000
      3     -11.0306      2.00000
      4     -11.0149      2.00000
      5     -11.0114      2.00000
      6      -5.3618      2.00000
      7      -1.8467      2.00000
      8       3.6294      2.00000
      9       3.6403      2.00000
     10       4.0529      2.00000
     11       8.3492      0.00000
     12       9.1334      0.00000
     13       9.2073      0.00000
     14      10.5613      0.00000

 k-point    42 :       0.4375    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0670      2.00000
      2     -11.0412      2.00000
      3     -11.0284      2.00000
      4     -11.0141      2.00000
      5     -11.0094      2.00000
      6      -5.0996      2.00000
      7      -2.2535      2.00000
      8       3.3805      2.00000
      9       3.7261      2.00000
     10       4.0585      2.00000
     11       8.3722      0.00000
     12       8.7824      0.00000
     13       9.0669      0.00000
     14      11.0282      0.00000

 k-point    43 :       0.5000    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0667      2.00000
      2     -11.0442      2.00000
      3     -11.0258      2.00000
      4     -11.0140      2.00000
      5     -11.0087      2.00000
      6      -4.8770      2.00000
      7      -2.5815      2.00000
      8       3.1025      2.00000
      9       3.8778      2.00000
     10       4.2288      2.00000
     11       8.1146      0.00000
     12       8.3654      0.00000
     13       9.2688      0.00000
     14      11.6652      0.00000

 k-point    44 :      -0.4375    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0648      2.00000
      2     -11.0465      2.00000
      3     -11.0236      2.00000
      4     -11.0143      2.00000
      5     -11.0093      2.00000
      6      -4.7810      2.00000
      7      -2.7312      2.00000
      8       2.8991      2.00000
      9       4.0881      2.00000
     10       4.4694      2.00000
     11       7.8054      0.00000
     12       7.9779      0.00000
     13       9.5243      0.00000
     14      12.4256      0.00000

 k-point    45 :      -0.3750    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0612      2.00000
      2     -11.0483      2.00000
      3     -11.0225      2.00000
      4     -11.0147      2.00000
      5     -11.0114      2.00000
      6      -4.8709      2.00000
      7      -2.6400      2.00000
      8       2.7955      2.00000
      9       4.3411      2.00000
     10       4.7617      2.00000
     11       7.5051      0.00000
     12       7.6379      0.00000
     13       9.7624      0.00000
     14      12.8821      0.00000

 k-point    46 :      -0.3125    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0566      2.00000
      2     -11.0494      2.00000
      3     -11.0230      2.00000
      4     -11.0149      2.00000
      5     -11.0143      2.00000
      6      -5.0933      2.00000
      7      -2.3669      2.00000
      8       2.8046      2.00000
      9       4.6047      2.00000
     10       5.0869      2.00000
     11       7.2290      0.00000
     12       7.3733      0.00000
     13       9.9349      0.00000
     14      12.4426      0.00000

 k-point    47 :      -0.2500    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0519      2.00000
      2     -11.0493      2.00000
      3     -11.0247      2.00000
      4     -11.0176      2.00000
      5     -11.0153      2.00000
      6      -5.3582      2.00000
      7      -2.0130      2.00000
      8       2.9350      2.00000
      9       4.8189      2.00000
     10       5.3915      2.00000
     11       7.0171      0.00000
     12       7.2382      0.00000
     13       9.9905      0.00000
     14      12.0870      0.00000

 k-point    48 :      -0.1875    0.1875    0.0000
  band No.  band energies     occupation 
      1     -11.0482      2.00000
      2     -11.0472      2.00000
      3     -11.0265      2.00000
      4     -11.0204      2.00000
      5     -11.0163      2.00000
      6      -5.6105      2.00000
      7      -1.6476      2.00000
      8       3.1882      2.00000
      9       4.9042      2.00000
     10       5.5318      2.00000
     11       7.0028      0.00000
     12       7.3059      0.00000
     13       9.9080      0.00000
     14      11.7932      0.00000

 k-point    49 :       0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0644      2.00000
      2     -11.0343      2.00000
      3     -11.0320      2.00000
      4     -11.0163      2.00000
      5     -11.0163      2.00000
      6      -5.6903      2.00000
      7      -1.1786      2.00000
      8       3.4991      2.00000
      9       3.4991      2.00000
     10       4.2551      2.00000
     11       8.2736      0.00000
     12       9.7175      0.00000
     13      10.1790      0.00000
     14      10.1790      0.00000

 k-point    50 :       0.3125    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0700      2.00000
      2     -11.0347      2.00000
      3     -11.0315      2.00000
      4     -11.0137      2.00000
      5     -11.0131      2.00000
      6      -5.5073      2.00000
      7      -1.3901      2.00000
      8       3.3940      2.00000
      9       3.3978      2.00000
     10       3.7217      2.00000
     11       8.8236      0.00000
     12       9.5786      0.00000
     13      10.1671      0.00000
     14      10.2342      0.00000

 k-point    51 :       0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0742      2.00000
      2     -11.0338      2.00000
      3     -11.0332      2.00000
      4     -11.0117      2.00000
      5     -11.0100      2.00000
      6      -5.2858      2.00000
      7      -1.6895      2.00000
      8       3.1454      2.00000
      9       3.3625      2.00000
     10       3.5085      2.00000
     11       9.2152      0.00000
     12       9.5866      0.00000
     13       9.9126      0.00000
     14      10.2268      0.00000

 k-point    52 :       0.4375    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0762      2.00000
      2     -11.0357      2.00000
      3     -11.0319      2.00000
      4     -11.0111      2.00000
      5     -11.0079      2.00000
      6      -5.0480      2.00000
      7      -2.0298      2.00000
      8       2.7618      2.00000
      9       3.4068      2.00000
     10       3.6003      2.00000
     11       9.1450      0.00000
     12       9.5323      0.00000
     13       9.8884      0.00000
     14      10.4089      0.00000

 k-point    53 :       0.5000    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0758      2.00000
      2     -11.0387      2.00000
      3     -11.0290      2.00000
      4     -11.0115      2.00000
      5     -11.0070      2.00000
      6      -4.8328      2.00000
      7      -2.3468      2.00000
      8       2.4652      2.00000
      9       3.5265      2.00000
     10       3.7782      2.00000
     11       8.8552      0.00000
     12       9.1018      0.00000
     13      10.2097      0.00000
     14      10.8638      0.00000

 k-point    54 :      -0.4375    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0732      2.00000
      2     -11.0419      2.00000
      3     -11.0257      2.00000
      4     -11.0131      2.00000
      5     -11.0077      2.00000
      6      -4.7035      2.00000
      7      -2.5605      2.00000
      8       2.2835      2.00000
      9       3.7179      2.00000
     10       4.0190      2.00000
     11       8.5080      0.00000
     12       8.6574      0.00000
     13      10.4441      0.00000
     14      11.5315      0.00000

 k-point    55 :      -0.3750    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0688      2.00000
      2     -11.0447      2.00000
      3     -11.0222      2.00000
      4     -11.0154      2.00000
      5     -11.0097      2.00000
      6      -4.7229      2.00000
      7      -2.6010      2.00000
      8       2.2315      2.00000
      9       3.9723      2.00000
     10       4.3159      2.00000
     11       8.1373      0.00000
     12       8.2182      0.00000
     13      10.5651      0.00000
     14      12.3469      0.00000

 k-point    56 :      -0.3125    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0633      2.00000
      2     -11.0470      2.00000
      3     -11.0200      2.00000
      4     -11.0171      2.00000
      5     -11.0124      2.00000
      6      -4.8839      2.00000
      7      -2.4761      2.00000
      8       2.3211      2.00000
      9       4.2720      2.00000
     10       4.6628      2.00000
     11       7.7483      0.00000
     12       7.8036      0.00000
     13      10.5315      0.00000
     14      12.9038      0.00000

 k-point    57 :      -0.2500    0.2500    0.0000
  band No.  band energies     occupation 
      1     -11.0572      2.00000
      2     -11.0485      2.00000
      3     -11.0219      2.00000
      4     -11.0160      2.00000
      5     -11.0151      2.00000
      6      -5.1165      2.00000
      7      -2.2590      2.00000
      8       2.5577      2.00000
      9       4.5796      2.00000
     10       5.0425      2.00000
     11       7.3528      0.00000
     12       7.4510      0.00000
     13      10.3362      0.00000
     14      12.5360      0.00000

 k-point    58 :       0.3125    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0773      2.00000
      2     -11.0362      2.00000
      3     -11.0296      2.00000
      4     -11.0107      2.00000
      5     -11.0107      2.00000
      6      -5.3560      2.00000
      7      -1.4409      2.00000
      8       3.1180      2.00000
      9       3.2363      2.00000
     10       3.2363      2.00000
     11       9.3828      0.00000
     12       9.5378      0.00000
     13      10.4920      0.00000
     14      10.4920      0.00000

 k-point    59 :       0.3750    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0825      2.00000
      2     -11.0365      2.00000
      3     -11.0292      2.00000
      4     -11.0084      2.00000
      5     -11.0081      2.00000
      6      -5.1700      2.00000
      7      -1.5944      2.00000
      8       2.6083      2.00000
      9       3.1559      2.00000
     10       3.1861      2.00000
     11       9.3203      0.00000
     12      10.1158      0.00000
     13      10.4939      0.00000
     14      10.5663      0.00000

 k-point    60 :       0.4375    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0854      2.00000
      2     -11.0354      2.00000
      3     -11.0308      2.00000
      4     -11.0075      2.00000
      5     -11.0059      2.00000
      6      -4.9684      2.00000
      7      -1.8279      2.00000
      8       2.2033      2.00000
      9       3.1561      2.00000
     10       3.2479      2.00000
     11       9.3881      0.00000
     12      10.2377      0.00000
     13      10.2982      0.00000
     14      10.7685      0.00000

 k-point    61 :       0.5000    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0854      2.00000
      2     -11.0335      2.00000
      3     -11.0329      2.00000
      4     -11.0080      2.00000
      5     -11.0052      2.00000
      6      -4.7809      2.00000
      7      -2.0948      2.00000
      8       1.9231      2.00000
      9       3.2376      2.00000
     10       3.4007      2.00000
     11       9.3937      0.00000
     12       9.8357      0.00000
     13      10.3728      0.00000
     14      11.0766      0.00000

 k-point    62 :      -0.4375    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0824      2.00000
      2     -11.0368      2.00000
      3     -11.0294      2.00000
      4     -11.0096      2.00000
      5     -11.0059      2.00000
      6      -4.6495      2.00000
      7      -2.3347      2.00000
      8       1.7842      2.00000
      9       3.3985      2.00000
     10       3.6275      2.00000
     11       9.1464      0.00000
     12       9.3588      0.00000
     13      10.7951      0.00000
     14      11.2384      0.00000

 k-point    63 :      -0.3750    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0772      2.00000
      2     -11.0404      2.00000
      3     -11.0256      2.00000
      4     -11.0125      2.00000
      5     -11.0076      2.00000
      6      -4.6197      2.00000
      7      -2.4885      2.00000
      8       1.8009      2.00000
      9       3.6336      2.00000
     10       3.9176      2.00000
     11       8.7476      0.00000
     12       8.8431      0.00000
     13      11.1945      0.00000
     14      11.4863      0.00000

 k-point    64 :      -0.3125    0.3125    0.0000
  band No.  band energies     occupation 
      1     -11.0704      2.00000
      2     -11.0438      2.00000
      3     -11.0215      2.00000
      4     -11.0158      2.00000
      5     -11.0100      2.00000
      6      -4.7086      2.00000
      7      -2.5288      2.00000
      8       1.9809      2.00000
      9       3.9321      2.00000
     10       4.2652      2.00000
     11       8.2708      0.00000
     12       8.3137      0.00000
     13      10.9510      0.00000
     14      12.3442      0.00000

 k-point    65 :       0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1     -11.0893      2.00000
      2     -11.0380      2.00000
      3     -11.0278      2.00000
      4     -11.0062      2.00000
      5     -11.0062      2.00000
      6      -5.0263      2.00000
      7      -1.5891      2.00000
      8       2.1216      2.00000
      9       3.0284      2.00000
     10       3.0284      2.00000
     11       9.1423      0.00000
     12      10.8137      0.00000
     13      10.8137      0.00000
     14      10.8529      0.00000

 k-point    66 :       0.4375    0.3750    0.0000
  band No.  band energies     occupation 
      1     -11.0932      2.00000
      2     -11.0379      2.00000
      3     -11.0277      2.00000
      4     -11.0046      2.00000
      5     -11.0042      2.00000
      6      -4.8723      2.00000
      7      -1.6838      2.00000
      8       1.7433      2.00000
      9       2.9841      2.00000
     10       3.0082      2.00000
     11       9.1381      0.00000
     12      10.7934      0.00000
     13      10.8041      0.00000
     14      11.4203      0.00000

 k-point    67 :       0.5000    0.3750    0.0000
  band No.  band energies     occupation 
      1     -11.0936      2.00000
      2     -11.0363      2.00000
      3     -11.0292      2.00000
      4     -11.0048      2.00000
      5     -11.0036      2.00000
      6      -4.7306      2.00000
      7      -1.8618      2.00000
      8       1.5051      2.00000
      9       3.0246      2.00000
     10       3.1074      2.00000
     11       9.2953      0.00000
     12      10.4954      0.00000
     13      10.6186      0.00000
     14      11.7614      0.00000

 k-point    68 :      -0.4375    0.3750    0.0000
  band No.  band energies     occupation 
      1     -11.0907      2.00000
      2     -11.0336      2.00000
      3     -11.0323      2.00000
      4     -11.0063      2.00000
      5     -11.0042      2.00000
      6      -4.6272      2.00000
      7      -2.0855      2.00000
      8       1.4295      2.00000
      9       3.1492      2.00000
     10       3.3036      2.00000
     11       9.4552      0.00000
     12      10.0266      0.00000
     13      10.4857      0.00000
     14      11.8317      0.00000

 k-point    69 :      -0.3750    0.3750    0.0000
  band No.  band energies     occupation 
      1     -11.0848      2.00000
      2     -11.0360      2.00000
      3     -11.0296      2.00000
      4     -11.0091      2.00000
      5     -11.0056      2.00000
      6      -4.5859      2.00000
      7      -2.3082      2.00000
      8       1.5286      2.00000
      9       3.3546      2.00000
     10       3.5776      2.00000
     11       9.2504      0.00000
     12       9.4601      0.00000
     13      10.7966      0.00000
     14      11.6286      0.00000

 k-point    70 :       0.4375    0.4375    0.0000
  band No.  band energies     occupation 
      1     -11.0982      2.00000
      2     -11.0391      2.00000
      3     -11.0263      2.00000
      4     -11.0027      2.00000
      5     -11.0027      2.00000
      6      -4.7752      2.00000
      7      -1.6320      2.00000
      8       1.4118      2.00000
      9       2.8961      2.00000
     10       2.8961      2.00000
     11       8.9977      0.00000
     12      11.0645      0.00000
     13      11.0645      0.00000
     14      11.9463      0.00000

 k-point    71 :       0.5000    0.4375    0.0000
  band No.  band energies     occupation 
      1     -11.0993      2.00000
      2     -11.0387      2.00000
      3     -11.0266      2.00000
      4     -11.0024      2.00000
      5     -11.0022      2.00000
      6      -4.6937      2.00000
      7      -1.6923      2.00000
      8       1.2378      2.00000
      9       2.8945      2.00000
     10       2.9172      2.00000
     11       9.0451      0.00000
     12      10.9785      0.00000
     13      11.0091      0.00000
     14      12.2295      0.00000

 k-point    72 :      -0.4375    0.4375    0.0000
  band No.  band energies     occupation 
      1     -11.0965      2.00000
      2     -11.0366      2.00000
      3     -11.0284      2.00000
      4     -11.0036      2.00000
      5     -11.0026      2.00000
      6      -4.6418      2.00000
      7      -1.8556      2.00000
      8       1.2427      2.00000
      9       2.9796      2.00000
     10       3.0603      2.00000
     11       9.2586      0.00000
     12      10.5960      0.00000
     13      10.7348      0.00000
     14      12.1837      0.00000

 k-point    73 :       0.5000    0.5000    0.0000
  band No.  band energies     occupation 
      1     -11.1013      2.00000
      2     -11.0394      2.00000
      3     -11.0258      2.00000
      4     -11.0017      2.00000
      5     -11.0017      2.00000
      6      -4.6800      2.00000
      7      -1.6293      2.00000
      8       1.1451      2.00000
      9       2.8507      2.00000
     10       2.8507      2.00000
     11       8.9495      0.00000
     12      11.1610      0.00000
     13      11.1610      0.00000
     14      12.4030      0.00000

 k-point    74 :       0.1875    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0439      2.00000
      2     -11.0376      2.00000
      3     -11.0297      2.00000
      4     -11.0254      2.00000
      5     -11.0241      2.00000
      6      -6.1541      2.00000
      7      -0.5614      2.00000
      8       3.9733      2.00000
      9       4.2837      2.00000
     10       5.0897      2.00000
     11       7.8996      0.00000
     12       9.1536      0.00000
     13       9.7444      0.00000
     14      10.8909      0.00000

 k-point    75 :       0.2500    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0469      2.00000
      2     -11.0391      2.00000
      3     -11.0294      2.00000
      4     -11.0233      2.00000
      5     -11.0210      2.00000
      6      -5.9912      2.00000
      7      -0.9452      2.00000
      8       3.8117      2.00000
      9       4.3993      2.00000
     10       5.2878      2.00000
     11       7.4277      0.00000
     12       8.6317      0.00000
     13       9.6138      0.00000
     14      10.9561      0.00000

 k-point    76 :       0.3125    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0502      2.00000
      2     -11.0418      2.00000
      3     -11.0284      2.00000
      4     -11.0207      2.00000
      5     -11.0176      2.00000
      6      -5.7717      2.00000
      7      -1.4070      2.00000
      8       3.7222      2.00000
      9       4.5217      2.00000
     10       5.3280      2.00000
     11       7.1534      0.00000
     12       8.1138      0.00000
     13       9.3255      0.00000
     14      11.1524      0.00000

 k-point    77 :       0.3750    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0532      2.00000
      2     -11.0449      2.00000
      3     -11.0271      2.00000
      4     -11.0178      2.00000
      5     -11.0145      2.00000
      6      -5.5082      2.00000
      7      -1.8966      2.00000
      8       3.7057      2.00000
      9       4.6045      2.00000
     10       5.2262      2.00000
     11       7.0830      0.00000
     12       7.6735      0.00000
     13       8.9667      0.00000
     14      11.5219      0.00000

 k-point    78 :       0.4375    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0554      2.00000
      2     -11.0478      2.00000
      3     -11.0259      2.00000
      4     -11.0153      2.00000
      5     -11.0121      2.00000
      6      -5.2264      2.00000
      7      -2.3592      2.00000
      8       3.7582      2.00000
      9       4.5530      2.00000
     10       5.1559      2.00000
     11       7.0289      0.00000
     12       7.4551      0.00000
     13       8.5979      0.00000
     14      12.0705      0.00000

 k-point    79 :       0.5000    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0567      2.00000
      2     -11.0499      2.00000
      3     -11.0252      2.00000
      4     -11.0133      2.00000
      5     -11.0107      2.00000
      6      -4.9822      2.00000
      7      -2.7193      2.00000
      8       3.8659      2.00000
      9       4.3718      2.00000
     10       5.1893      2.00000
     11       6.8530      0.00000
     12       7.5481      0.00000
     13       8.2695      0.00000
     14      12.7588      0.00000

 k-point    80 :      -0.4375    0.1250    0.0625
  band No.  band energies     occupation 
      1     -11.0572      2.00000
      2     -11.0507      2.00000
      3     -11.0250      2.00000
      4     -11.0125      2.00000
      5     -11.0102      2.00000
      6      -4.8774      2.00000
      7      -2.8640      2.00000
      8       3.9530      2.00000
      9       4.2471      2.00000
     10       5.2180      2.00000
     11       6.7693      0.00000
     12       7.6602      0.00000
     13       8.0955      0.00000
     14      13.3187      0.00000

 k-point    81 :       0.2500    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0518      2.00000
      2     -11.0359      2.00000
      3     -11.0313      2.00000
      4     -11.0212      2.00000
      5     -11.0201      2.00000
      6      -5.9375      2.00000
      7      -0.9577      2.00000
      8       3.7031      2.00000
      9       4.0240      2.00000
     10       5.2374      2.00000
     11       7.3658      0.00000
     12       9.3076      0.00000
     13       9.8108      0.00000
     14      10.4857      0.00000

 k-point    82 :       0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0560      2.00000
      2     -11.0375      2.00000
      3     -11.0308      2.00000
      4     -11.0190      2.00000
      5     -11.0168      2.00000
      6      -5.7404      2.00000
      7      -1.3200      2.00000
      8       3.5204      2.00000
      9       4.1229      2.00000
     10       4.9269      2.00000
     11       7.5309      0.00000
     12       8.8389      0.00000
     13       9.7228      0.00000
     14      10.6246      0.00000

 k-point    83 :       0.3750    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0595      2.00000
      2     -11.0400      2.00000
      3     -11.0295      2.00000
      4     -11.0168      2.00000
      5     -11.0138      2.00000
      6      -5.4970      2.00000
      7      -1.7409      2.00000
      8       3.4234      2.00000
      9       4.1757      2.00000
     10       4.6230      2.00000
     11       7.7600      0.00000
     12       8.3964      0.00000
     13       9.5308      0.00000
     14      10.8486      0.00000

 k-point    84 :       0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0619      2.00000
      2     -11.0429      2.00000
      3     -11.0276      2.00000
      4     -11.0152      2.00000
      5     -11.0113      2.00000
      6      -5.2281      2.00000
      7      -2.1696      2.00000
      8       3.4076      2.00000
      9       3.9723      2.00000
     10       4.6257      2.00000
     11       7.7254      0.00000
     12       8.2641      0.00000
     13       9.2564      0.00000
     14      11.2516      0.00000

 k-point    85 :       0.5000    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0629      2.00000
      2     -11.0456      2.00000
      3     -11.0254      2.00000
      4     -11.0145      2.00000
      5     -11.0096      2.00000
      6      -4.9764      2.00000
      7      -2.5399      2.00000
      8       3.4346      2.00000
      9       3.7192      2.00000
     10       4.7933      2.00000
     11       7.4023      0.00000
     12       8.4322      0.00000
     13       8.9886      0.00000
     14      11.8380      0.00000

 k-point    86 :      -0.4375    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0627      2.00000
      2     -11.0477      2.00000
      3     -11.0241      2.00000
      4     -11.0144      2.00000
      5     -11.0093      2.00000
      6      -4.8230      2.00000
      7      -2.7553      2.00000
      8       3.3270      2.00000
      9       3.7310      2.00000
     10       4.9849      2.00000
     11       7.1138      0.00000
     12       8.3994      0.00000
     13       8.9701      0.00000
     14      12.5507      0.00000

 k-point    87 :      -0.3750    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0612      2.00000
      2     -11.0486      2.00000
      3     -11.0235      2.00000
      4     -11.0145      2.00000
      5     -11.0101      2.00000
      6      -4.8549      2.00000
      7      -2.7222      2.00000
      8       3.1752      2.00000
      9       3.9389      2.00000
     10       5.1466      2.00000
     11       6.9416      0.00000
     12       8.1406      0.00000
     13       9.2012      0.00000
     14      12.7617      0.00000

 k-point    88 :      -0.3125    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0589      2.00000
      2     -11.0480      2.00000
      3     -11.0243      2.00000
      4     -11.0149      2.00000
      5     -11.0119      2.00000
      6      -5.0518      2.00000
      7      -2.4632      2.00000
      8       3.0995      2.00000
      9       4.2181      2.00000
     10       5.2222      2.00000
     11       6.9440      0.00000
     12       7.8600      0.00000
     13       9.4646      0.00000
     14      12.1543      0.00000

 k-point    89 :      -0.2500    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0563      2.00000
      2     -11.0461      2.00000
      3     -11.0260      2.00000
      4     -11.0164      2.00000
      5     -11.0139      2.00000
      6      -5.3169      2.00000
      7      -2.0847      2.00000
      8       3.1217      2.00000
      9       4.5102      2.00000
     10       5.2053      2.00000
     11       7.1228      0.00000
     12       7.6235      0.00000
     13       9.6837      0.00000
     14      11.6670      0.00000

 k-point    90 :      -0.1875    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0533      2.00000
      2     -11.0433      2.00000
      3     -11.0277      2.00000
      4     -11.0189      2.00000
      5     -11.0157      2.00000
      6      -5.5817      2.00000
      7      -1.6718      2.00000
      8       3.2498      2.00000
      9       4.6706      2.00000
     10       5.2235      2.00000
     11       7.2310      0.00000
     12       7.6735      0.00000
     13       9.8020      0.00000
     14      11.3517      0.00000

 k-point    91 :      -0.1250    0.1875    0.0625
  band No.  band energies     occupation 
      1     -11.0502      2.00000
      2     -11.0407      2.00000
      3     -11.0289      2.00000
      4     -11.0214      2.00000
      5     -11.0182      2.00000
      6      -5.8121      2.00000
      7      -1.2791      2.00000
      8       3.4839      2.00000
      9       4.5833      2.00000
     10       5.3333      2.00000
     11       7.2104      0.00000
     12       8.1062      0.00000
     13       9.7964      0.00000
     14      11.1219      0.00000

 k-point    92 :       0.3125    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0632      2.00000
      2     -11.0339      2.00000
      3     -11.0332      2.00000
      4     -11.0163      2.00000
      5     -11.0155      2.00000
      6      -5.6505      2.00000
      7      -1.3084      2.00000
      8       3.4127      2.00000
      9       3.7308      2.00000
     10       4.3198      2.00000
     11       8.1673      0.00000
     12       9.5659      0.00000
     13       9.7484      0.00000
     14      10.3787      0.00000

 k-point    93 :       0.3750    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0675      2.00000
      2     -11.0352      2.00000
      3     -11.0325      2.00000
      4     -11.0139      2.00000
      5     -11.0125      2.00000
      6      -5.4326      2.00000
      7      -1.6219      2.00000
      8       3.2324      2.00000
      9       3.6800      2.00000
     10       4.0058      2.00000
     11       8.5748      0.00000
     12       9.1749      0.00000
     13       9.7458      0.00000
     14      10.5372      0.00000

 k-point    94 :       0.4375    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0703      2.00000
      2     -11.0377      2.00000
      3     -11.0307      2.00000
      4     -11.0129      2.00000
      5     -11.0100      2.00000
      6      -5.1863      2.00000
      7      -1.9796      2.00000
      8       3.1273      2.00000
      9       3.3344      2.00000
     10       4.1259      2.00000
     11       8.5241      0.00000
     12       9.1566      0.00000
     13       9.7411      0.00000
     14      10.6828      0.00000

 k-point    95 :       0.5000    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0712      2.00000
      2     -11.0404      2.00000
      3     -11.0281      2.00000
      4     -11.0131      2.00000
      5     -11.0081      2.00000
      6      -4.9447      2.00000
      7      -2.3245      2.00000
      8       2.9172      2.00000
      9       3.2216      2.00000
     10       4.3395      2.00000
     11       8.1293      0.00000
     12       9.3150      0.00000
     13       9.7084      0.00000
     14      11.0583      0.00000

 k-point    96 :      -0.4375    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0704      2.00000
      2     -11.0432      2.00000
      3     -11.0252      2.00000
      4     -11.0143      2.00000
      5     -11.0078      2.00000
      6      -4.7678      2.00000
      7      -2.5782      2.00000
      8       2.6787      2.00000
      9       3.3232      2.00000
     10       4.5870      2.00000
     11       7.7388      0.00000
     12       9.1239      0.00000
     13       9.8904      0.00000
     14      11.6663      0.00000

 k-point    97 :      -0.3750    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0678      2.00000
      2     -11.0453      2.00000
      3     -11.0226      2.00000
      4     -11.0160      2.00000
      5     -11.0087      2.00000
      6      -4.7344      2.00000
      7      -2.6525      2.00000
      8       2.5392      2.00000
      9       3.5220      2.00000
     10       4.8483      2.00000
     11       7.3977      0.00000
     12       8.7986      0.00000
     13      10.1025      0.00000
     14      12.4112      0.00000

 k-point    98 :      -0.3125    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0641      2.00000
      2     -11.0465      2.00000
      3     -11.0217      2.00000
      4     -11.0165      2.00000
      5     -11.0106      2.00000
      6      -4.8663      2.00000
      7      -2.5249      2.00000
      8       2.5196      2.00000
      9       3.7996      2.00000
     10       5.0879      2.00000
     11       7.1428      0.00000
     12       8.4384      0.00000
     13      10.2316      0.00000
     14      12.4377      0.00000

 k-point    99 :      -0.2500    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0602      2.00000
      2     -11.0465      2.00000
      3     -11.0236      2.00000
      4     -11.0155      2.00000
      5     -11.0133      2.00000
      6      -5.0959      2.00000
      7      -2.2690      2.00000
      8       2.6310      2.00000
      9       4.1366      2.00000
     10       5.2342      2.00000
     11       7.0447      0.00000
     12       8.0636      0.00000
     13      10.2223      0.00000
     14      12.0396      0.00000

 k-point   100 :      -0.1875    0.2500    0.0625
  band No.  band energies     occupation 
      1     -11.0565      2.00000
      2     -11.0451      2.00000
      3     -11.0259      2.00000
      4     -11.0162      2.00000
      5     -11.0149      2.00000
      6      -5.3489      2.00000
      7      -1.9678      2.00000
      8       2.8772      2.00000
      9       4.4858      2.00000
     10       5.2316      2.00000
     11       7.1610      0.00000
     12       7.7108      0.00000
     13      10.0763      0.00000
     14      11.6985      0.00000

 k-point   101 :       0.3750    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0757      2.00000
      2     -11.0351      2.00000
      3     -11.0315      2.00000
      4     -11.0109      2.00000
      5     -11.0108      2.00000
      6      -5.3204      2.00000
      7      -1.5663      2.00000
      8       3.1355      2.00000
      9       3.1468      2.00000
     10       3.5215      2.00000
     11       9.3885      0.00000
     12       9.5095      0.00000
     13       9.9244      0.00000
     14      10.6020      0.00000

 k-point   102 :       0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0793      2.00000
      2     -11.0341      2.00000
      3     -11.0328      2.00000
      4     -11.0097      2.00000
      5     -11.0081      2.00000
      6      -5.1059      2.00000
      7      -1.8166      2.00000
      8       2.6854      2.00000
      9       2.9981      2.00000
     10       3.6769      2.00000
     11       9.3289      0.00000
     12       9.6476      0.00000
     13      10.0285      0.00000
     14      10.7343      0.00000

 k-point   103 :       0.5000    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0804      2.00000
      2     -11.0351      2.00000
      3     -11.0317      2.00000
      4     -11.0098      2.00000
      5     -11.0062      2.00000
      6      -4.8904      2.00000
      7      -2.0992      2.00000
      8       2.3338      2.00000
      9       2.9559      2.00000
     10       3.8978      2.00000
     11       8.9140      0.00000
     12       9.7815      0.00000
     13      10.4014      0.00000
     14      10.7698      0.00000

 k-point   104 :      -0.4375    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0793      2.00000
      2     -11.0382      2.00000
      3     -11.0286      2.00000
      4     -11.0116      2.00000
      5     -11.0059      2.00000
      6      -4.7167      2.00000
      7      -2.3542      2.00000
      8       2.1031      2.00000
      9       3.0177      2.00000
     10       4.1631      2.00000
     11       8.4642      0.00000
     12       9.7180      0.00000
     13      10.7312      0.00000
     14      11.0031      0.00000

 k-point   105 :      -0.3750    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0758      2.00000
      2     -11.0412      2.00000
      3     -11.0250      2.00000
      4     -11.0142      2.00000
      5     -11.0066      2.00000
      6      -4.6418      2.00000
      7      -2.5125      2.00000
      8       2.0084      2.00000
      9       3.1774      2.00000
     10       4.4608      2.00000
     11       8.0175      0.00000
     12       9.4243      0.00000
     13      10.8816      0.00000
     14      11.5917      0.00000

 k-point   106 :      -0.3125    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0710      2.00000
      2     -11.0438      2.00000
      3     -11.0212      2.00000
      4     -11.0173      2.00000
      5     -11.0086      2.00000
      6      -4.7030      2.00000
      7      -2.5307      2.00000
      8       2.0623      2.00000
      9       3.4265      2.00000
     10       4.7745      2.00000
     11       7.5927      0.00000
     12       9.0201      0.00000
     13      10.8247      0.00000
     14      12.4015      0.00000

 k-point   107 :      -0.2500    0.3125    0.0625
  band No.  band energies     occupation 
      1     -11.0652      2.00000
      2     -11.0456      2.00000
      3     -11.0207      2.00000
      4     -11.0175      2.00000
      5     -11.0111      2.00000
      6      -4.8747      2.00000
      7      -2.4310      2.00000
      8       2.2714      2.00000
      9       3.7534      2.00000
     10       5.0640      2.00000
     11       7.2332      0.00000
     12       8.5555      0.00000
     13      10.5919      0.00000
     14      12.4958      0.00000

 k-point   108 :       0.4375    0.3750    0.0625
  band No.  band energies     occupation 
      1     -11.0873      2.00000
      2     -11.0366      2.00000
      3     -11.0293      2.00000
      4     -11.0068      2.00000
      5     -11.0060      2.00000
      6      -4.9965      2.00000
      7      -1.7099      2.00000
      8       2.1626      2.00000
      9       2.9371      2.00000
     10       3.2938      2.00000
     11       9.2966      0.00000
     12      10.1655      0.00000
     13      10.7964      0.00000
     14      10.9001      0.00000

 k-point   109 :       0.5000    0.3750    0.0625
  band No.  band energies     occupation 
      1     -11.0891      2.00000
      2     -11.0352      2.00000
      3     -11.0306      2.00000
      4     -11.0067      2.00000
      5     -11.0043      2.00000
      6      -4.8219      2.00000
      7      -1.8955      2.00000
      8       1.8333      2.00000
      9       2.8197      2.00000
     10       3.4971      2.00000
     11       9.4081      0.00000
     12       9.7964      0.00000
     13      10.9610      0.00000
     14      11.2522      0.00000

 k-point   110 :      -0.4375    0.3750    0.0625
  band No.  band energies     occupation 
      1     -11.0878      2.00000
      2     -11.0333      2.00000
      3     -11.0325      2.00000
      4     -11.0082      2.00000
      5     -11.0038      2.00000
      6      -4.6760      2.00000
      7      -2.1141      2.00000
      8       1.6448      2.00000
      9       2.8168      2.00000
     10       3.7622      2.00000
     11       9.1845      0.00000
     12       9.7958      0.00000
     13      10.8755      0.00000
     14      11.4931      0.00000

 k-point   111 :      -0.3750    0.3750    0.0625
  band No.  band energies     occupation 
      1     -11.0839      2.00000
      2     -11.0366      2.00000
      3     -11.0290      2.00000
      4     -11.0109      2.00000
      5     -11.0046      2.00000
      6      -4.5936      2.00000
      7      -2.3181      2.00000
      8       1.6157      2.00000
      9       2.9229      2.00000
     10       4.0734      2.00000
     11       8.6764      0.00000
     12       9.8567      0.00000
     13      10.9962      0.00000
     14      11.4888      0.00000

 k-point   112 :      -0.3125    0.3750    0.0625
  band No.  band energies     occupation 
      1     -11.0779      2.00000
      2     -11.0404      2.00000
      3     -11.0251      2.00000
      4     -11.0141      2.00000
      5     -11.0064      2.00000
      6      -4.6022      2.00000
      7      -2.4639      2.00000
      8       1.7557      2.00000
      9       3.1296      2.00000
     10       4.4177      2.00000
     11       8.1302      0.00000
     12       9.5325      0.00000
     13      11.2471      0.00000
     14      11.5773      0.00000

 k-point   113 :       0.5000    0.4375    0.0625
  band No.  band energies     occupation 
      1     -11.0958      2.00000
      2     -11.0376      2.00000
      3     -11.0277      2.00000
      4     -11.0041      2.00000
      5     -11.0026      2.00000
      6      -4.7517      2.00000
      7      -1.7488      2.00000
      8       1.4584      2.00000
      9       2.8038      2.00000
     10       3.1591      2.00000
     11       9.1621      0.00000
     12      10.4647      0.00000
     13      11.1430      0.00000
     14      11.8512      0.00000

 k-point   114 :      -0.4375    0.4375    0.0625
  band No.  band energies     occupation 
      1     -11.0948      2.00000
      2     -11.0358      2.00000
      3     -11.0296      2.00000
      4     -11.0053      2.00000
      5     -11.0022      2.00000
      6      -4.6545      2.00000
      7      -1.8965      2.00000
      8       1.3337      2.00000
      9       2.7283      2.00000
     10       3.4058      2.00000
     11       9.3469      0.00000
     12       9.9984      0.00000
     13      11.1564      0.00000
     14      12.0215      0.00000

 k-point   115 :      -0.3750    0.4375    0.0625
  band No.  band energies     occupation 
      1     -11.0906      2.00000
      2     -11.0330      2.00000
      3     -11.0325      2.00000
      4     -11.0078      2.00000
      5     -11.0029      2.00000
      6      -4.5982      2.00000
      7      -2.0995      2.00000
      8       1.3859      2.00000
      9       2.7700      2.00000
     10       3.7163      2.00000
     11       9.2807      0.00000
     12       9.8003      0.00000
     13      10.9707      0.00000
     14      11.8844      0.00000

 k-point   116 :      -0.4375    0.5000    0.0625
  band No.  band energies     occupation 
      1     -11.0990      2.00000
      2     -11.0381      2.00000
      3     -11.0272      2.00000
      4     -11.0032      2.00000
      5     -11.0017      2.00000
      6      -4.6595      2.00000
      7      -1.7445      2.00000
      8       1.1939      2.00000
      9       2.7581      2.00000
     10       3.1134      2.00000
     11       9.1165      0.00000
     12      10.5766      0.00000
     13      11.2375      0.00000
     14      12.2905      0.00000

 k-point   117 :       0.3750    0.2500    0.1250
  band No.  band energies     occupation 
      1     -11.0602      2.00000
      2     -11.0387      2.00000
      3     -11.0302      2.00000
      4     -11.0164      2.00000
      5     -11.0147      2.00000
      6      -5.5337      2.00000
      7      -1.6178      2.00000
      8       3.1835      2.00000
      9       4.2036      2.00000
     10       4.6243      2.00000
     11       7.8594      0.00000
     12       8.3965      0.00000
     13       9.8683      0.00000
     14      10.9147      0.00000

 k-point   118 :       0.4375    0.2500    0.1250
  band No.  band energies     occupation 
      1     -11.0634      2.00000
      2     -11.0409      2.00000
      3     -11.0285      2.00000
      4     -11.0144      2.00000
      5     -11.0128      2.00000
      6      -5.2899      2.00000
      7      -1.9568      2.00000
      8       2.9538      2.00000
      9       3.8949      2.00000
     10       4.7379      2.00000
     11       7.7529      0.00000
     12       8.4320      0.00000
     13       9.9477      0.00000
     14      11.1729      0.00000

 k-point   119 :       0.5000    0.2500    0.1250
  band No.  band energies     occupation 
      1     -11.0657      2.00000
      2     -11.0432      2.00000
      3     -11.0262      2.00000
      4     -11.0145      2.00000
      5     -11.0104      2.00000
      6      -5.0363      2.00000
      7      -2.2945      2.00000
      8       2.8402      2.00000
      9       3.5286      2.00000
     10       4.9547      2.00000
     11       7.3843      0.00000
     12       8.7703      0.00000
     13       9.9414      0.00000
     14      11.4788      0.00000

 k-point   120 :      -0.4375    0.2500    0.1250
  band No.  band energies     occupation 
      1     -11.0670      2.00000
      2     -11.0449      2.00000
      3     -11.0237      2.00000
      4     -11.0156      2.00000
      5     -11.0086      2.00000
      6      -4.8252      2.00000
      7      -2.5636      2.00000
      8       2.8354      2.00000
      9       3.2345      2.00000
     10       5.1325      2.00000
     11       7.1061      0.00000
     12       9.0797      0.00000
     13       9.8138      0.00000
     14      11.9749      0.00000

 k-point   121 :      -0.3750    0.2500    0.1250
  band No.  band energies     occupation 
      1     -11.0676      2.00000
      2     -11.0457      2.00000
      3     -11.0226      2.00000
      4     -11.0168      2.00000
      5     -11.0081      2.00000
      6      -4.7382      2.00000
      7      -2.6713      2.00000
      8       2.8794      2.00000
      9       3.0900      2.00000
     10       5.2039      2.00000
     11       7.0005      0.00000
     12       9.2430      0.00000
     13       9.7017      0.00000
     14      12.4951      0.00000

 k-point   122 :       0.4375    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0715      2.00000
      2     -11.0362      2.00000
      3     -11.0316      2.00000
      4     -11.0117      2.00000
      5     -11.0109      2.00000
      6      -5.2171      2.00000
      7      -1.8622      2.00000
      8       2.9107      2.00000
      9       3.2622      2.00000
     10       4.2018      2.00000
     11       8.5464      0.00000
     12       9.2643      0.00000
     13       9.8262      0.00000
     14      10.9586      0.00000

 k-point   123 :       0.5000    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0739      2.00000
      2     -11.0382      2.00000
      3     -11.0295      2.00000
      4     -11.0121      2.00000
      5     -11.0083      2.00000
      6      -4.9877      2.00000
      7      -2.1287      2.00000
      8       2.6984      2.00000
      9       2.8736      2.00000
     10       4.4897      2.00000
     11       8.1104      0.00000
     12       9.6777      0.00000
     13      10.0081      0.00000
     14      11.1969      0.00000

 k-point   124 :      -0.4375    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0747      2.00000
      2     -11.0404      2.00000
      3     -11.0267      2.00000
      4     -11.0139      2.00000
      5     -11.0066      2.00000
      6      -4.7838      2.00000
      7      -2.3737      2.00000
      8       2.5259      2.00000
      9       2.6674      2.00000
     10       4.7840      2.00000
     11       7.6905      0.00000
     12       9.9467      0.00000
     13      10.2344      0.00000
     14      11.4214      0.00000

 k-point   125 :      -0.3750    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0739      2.00000
      2     -11.0423      2.00000
      3     -11.0234      2.00000
      4     -11.0167      2.00000
      5     -11.0061      2.00000
      6      -4.6656      2.00000
      7      -2.5281      2.00000
      8       2.3543      2.00000
      9       2.6979      2.00000
     10       5.0463      2.00000
     11       7.3457      0.00000
     12       9.9334      0.00000
     13      10.4282      0.00000
     14      11.8819      0.00000

 k-point   126 :      -0.3125    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0722      2.00000
      2     -11.0433      2.00000
      3     -11.0215      2.00000
      4     -11.0184      2.00000
      5     -11.0068      2.00000
      6      -4.6875      2.00000
      7      -2.5328      2.00000
      8       2.2970      2.00000
      9       2.8569      2.00000
     10       5.2143      2.00000
     11       7.1392      0.00000
     12       9.6934      0.00000
     13      10.5117      0.00000
     14      12.3112      0.00000

 k-point   127 :      -0.2500    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0697      2.00000
      2     -11.0433      2.00000
      3     -11.0238      2.00000
      4     -11.0160      2.00000
      5     -11.0086      2.00000
      6      -4.8395      2.00000
      7      -2.3972      2.00000
      8       2.3759      2.00000
      9       3.1221      2.00000
     10       5.2059      2.00000
     11       7.1525      0.00000
     12       9.3301      0.00000
     13      10.4204      0.00000
     14      11.9484      0.00000

 k-point   128 :      -0.1875    0.3125    0.1250
  band No.  band energies     occupation 
      1     -11.0667      2.00000
      2     -11.0422      2.00000
      3     -11.0264      2.00000
      4     -11.0140      2.00000
      5     -11.0110      2.00000
      6      -5.0592      2.00000
      7      -2.1861      2.00000
      8       2.5970      2.00000
      9       3.4779      2.00000
     10       5.0155      2.00000
     11       7.3917      0.00000
     12       8.8910      0.00000
     13      10.2089      0.00000
     14      11.6005      0.00000

 k-point   129 :       0.5000    0.3750    0.1250
  band No.  band energies     occupation 
      1     -11.0822      2.00000
      2     -11.0340      2.00000
      3     -11.0329      2.00000
      4     -11.0095      2.00000
      5     -11.0061      2.00000
      6      -4.9125      2.00000
      7      -1.9891      2.00000
      8       2.2947      2.00000
      9       2.6966      2.00000
     10       3.9831      2.00000
     11       8.9327      0.00000
     12       9.7073      0.00000
     13      10.5237      0.00000
     14      11.1732      0.00000

 k-point   130 :      -0.4375    0.3750    0.1250
  band No.  band energies     occupation 
      1     -11.0828      2.00000
      2     -11.0359      2.00000
      3     -11.0305      2.00000
      4     -11.0110      2.00000
      5     -11.0044      2.00000
      6      -4.7354      2.00000
      7      -2.1798      2.00000
      8       2.0140      2.00000
      9       2.5300      2.00000
     10       4.3242      2.00000
     11       8.4408      0.00000
     12       9.9572      0.00000
     13      10.8927      0.00000
     14      11.3689      0.00000

 k-point   131 :      -0.3750    0.3750    0.1250
  band No.  band energies     occupation 
      1     -11.0811      2.00000
      2     -11.0383      2.00000
      3     -11.0271      2.00000
      4     -11.0139      2.00000
      5     -11.0039      2.00000
      6      -4.6148      2.00000
      7      -2.3472      2.00000
      8       1.8696      2.00000
      9       2.4976      2.00000
     10       4.6720      2.00000
     11       7.9596      0.00000
     12      10.1940      0.00000
     13      11.0840      0.00000
     14      11.4873      0.00000

 k-point   132 :      -0.3125    0.3750    0.1250
  band No.  band energies     occupation 
      1     -11.0780      2.00000
      2     -11.0406      2.00000
      3     -11.0232      2.00000
      4     -11.0173      2.00000
      5     -11.0046      2.00000
      6      -4.5909      2.00000
      7      -2.4465      2.00000
      8       1.8786      2.00000
      9       2.5925      2.00000
     10       4.9919      2.00000
     11       7.5250      0.00000
     12      10.1516      0.00000
     13      11.0400      0.00000
     14      11.8725      0.00000

 k-point   133 :      -0.2500    0.3750    0.1250
  band No.  band energies     occupation 
      1     -11.0739      2.00000
      2     -11.0424      2.00000
      3     -11.0207      2.00000
      4     -11.0193      2.00000
      5     -11.0062      2.00000
      6      -4.6756      2.00000
      7      -2.4576      2.00000
      8       2.0489      2.00000
      9       2.8047      2.00000
     10       5.2112      2.00000
     11       7.2113      0.00000
     12       9.8195      0.00000
     13      10.7786      0.00000
     14      12.4490      0.00000

 k-point   134 :      -0.4375    0.4375    0.1250
  band No.  band energies     occupation 
      1     -11.0900      2.00000
      2     -11.0337      2.00000
      3     -11.0321      2.00000
      4     -11.0080      2.00000
      5     -11.0027      2.00000
      6      -4.6887      2.00000
      7      -2.0115      2.00000
      8       1.5982      2.00000
      9       2.5610      2.00000
     10       3.8503      2.00000
     11       9.2303      0.00000
     12       9.6095      0.00000
     13      11.3858      0.00000
     14      11.5690      0.00000

 k-point   135 :      -0.3750    0.4375    0.1250
  band No.  band energies     occupation 
      1     -11.0879      2.00000
      2     -11.0344      2.00000
      3     -11.0309      2.00000
      4     -11.0106      2.00000
      5     -11.0021      2.00000
      6      -4.5933      2.00000
      7      -2.1597      2.00000
      8       1.5204      2.00000
      9       2.4364      2.00000
     10       4.2385      2.00000
     11       8.6563      0.00000
     12       9.9207      0.00000
     13      11.4928      0.00000
     14      11.6483      0.00000

 k-point   136 :      -0.3125    0.4375    0.1250
  band No.  band energies     occupation 
      1     -11.0834      2.00000
      2     -11.0374      2.00000
      3     -11.0272      2.00000
      4     -11.0138      2.00000
      5     -11.0027      2.00000
      6      -4.5573      2.00000
      7      -2.3145      2.00000
      8       1.6140      2.00000
      9       2.4491      2.00000
     10       4.6329      2.00000
     11       8.0706      0.00000
     12      10.2225      0.00000
     13      11.4359      0.00000
     14      11.5174      0.00000

 k-point   137 :      -0.3750    0.5000    0.1250
  band No.  band energies     occupation 
      1     -11.0928      2.00000
      2     -11.0340      2.00000
      3     -11.0315      2.00000
      4     -11.0077      2.00000
      5     -11.0016      2.00000
      6      -4.6065      2.00000
      7      -2.0002      2.00000
      8       1.3374      2.00000
      9       2.5146      2.00000
     10       3.8052      2.00000
     11       9.3492      0.00000
     12       9.5737      0.00000
     13      11.4727      0.00000
     14      11.9748      0.00000

 k-point   138 :      -0.4375    0.3750    0.1875
  band No.  band energies     occupation 
      1     -11.0763      2.00000
      2     -11.0394      2.00000
      3     -11.0273      2.00000
      4     -11.0138      2.00000
      5     -11.0062      2.00000
      6      -4.7934      2.00000
      7      -2.2771      2.00000
      8       2.3783      2.00000
      9       2.5152      2.00000
     10       4.8582      2.00000
     11       7.6874      0.00000
     12      10.1698      0.00000
     13      10.2456      0.00000
     14      11.6765      0.00000

 k-point   139 :      -0.3750    0.3750    0.1875
  band No.  band energies     occupation 
      1     -11.0776      2.00000
      2     -11.0405      2.00000
      3     -11.0242      2.00000
      4     -11.0169      2.00000
      5     -11.0045      2.00000
      6      -4.6444      2.00000
      7      -2.3943      2.00000
      8       2.1889      2.00000
      9       2.2835      2.00000
     10       5.1538      2.00000
     11       7.3621      0.00000
     12      10.4564      0.00000
     13      10.5801      0.00000
     14      11.9901      0.00000

 k-point   140 :      -0.3125    0.3750    0.1875
  band No.  band energies     occupation 
      1     -11.0779      2.00000
      2     -11.0409      2.00000
      3     -11.0212      2.00000
      4     -11.0199      2.00000
      5     -11.0039      2.00000
      6      -4.5870      2.00000
      7      -2.4404      2.00000
      8       2.1303      2.00000
      9       2.1995      2.00000
     10       5.2745      2.00000
     11       7.2323      0.00000
     12      10.5623      0.00000
     13      10.7461      0.00000
     14      12.2860      0.00000

 k-point   141 :      -0.3750    0.4375    0.1875
  band No.  band energies     occupation 
      1     -11.0833      2.00000
      2     -11.0372      2.00000
      3     -11.0279      2.00000
      4     -11.0140      2.00000
      5     -11.0028      2.00000
      6      -4.6107      2.00000
      7      -2.2626      2.00000
      8       1.8240      2.00000
      9       2.2402      2.00000
     10       4.7521      2.00000
     11       7.9537      0.00000
     12      10.2259      0.00000
     13      11.1697      0.00000
     14      11.8203      0.00000

 k-point   142 :      -0.3125    0.4375    0.1875
  band No.  band energies     occupation 
      1     -11.0820      2.00000
      2     -11.0387      2.00000
      3     -11.0244      2.00000
      4     -11.0173      2.00000
      5     -11.0021      2.00000
      6      -4.5450      2.00000
      7      -2.3345      2.00000
      8       1.7843      2.00000
      9       2.1028      2.00000
     10       5.1138      2.00000
     11       7.5300      0.00000
     12      10.5475      0.00000
     13      11.1418      0.00000
     14      12.0668      0.00000

 k-point   143 :      -0.2500    0.4375    0.1875
  band No.  band energies     occupation 
      1     -11.0799      2.00000
      2     -11.0399      2.00000
      3     -11.0210      2.00000
      4     -11.0205      2.00000
      5     -11.0028      2.00000
      6      -4.5571      2.00000
      7      -2.3813      2.00000
      8       1.9088      2.00000
      9       2.1178      2.00000
     10       5.2886      2.00000
     11       7.2893      0.00000
     12      10.7129      0.00000
     13      10.8700      0.00000
     14      12.3463      0.00000

 k-point   144 :      -0.3125    0.5000    0.1875
  band No.  band energies     occupation 
      1     -11.0856      2.00000
      2     -11.0362      2.00000
      3     -11.0279      2.00000
      4     -11.0137      2.00000
      5     -11.0015      2.00000
      6      -4.5471      2.00000
      7      -2.2349      2.00000
      8       1.5657      2.00000
      9       2.1931      2.00000
     10       4.7147      2.00000
     11       8.0645      0.00000
     12      10.2122      0.00000
     13      11.4987      0.00000
     14      11.8885      0.00000

 k-point   145 :      -0.2500    0.5000    0.2500
  band No.  band energies     occupation 
      1     -11.0821      2.00000
      2     -11.0389      2.00000
      3     -11.0208      2.00000
      4     -11.0208      2.00000
      5     -11.0015      2.00000
      6      -4.5202      2.00000
      7      -2.3284      2.00000
      8       1.8610      2.00000
      9       1.8610      2.00000
     10       5.3091      2.00000
     11       7.3408      0.00000
     12      10.8936      0.00000
     13      10.8936      0.00000
     14      12.5296      0.00000


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


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

 pseudopotential strength for first ion, spin component:           1
-13.378  -0.000   0.000  -0.000  -0.000   3.094   0.000  -0.000
 -0.000 -13.378  -0.000  -0.000   0.000   0.000   3.094   0.000
  0.000  -0.000 -13.369  -0.000   0.000  -0.000   0.000   3.088
 -0.000  -0.000  -0.000 -13.378  -0.000   0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000 -13.369   0.000  -0.000  -0.000
  3.094   0.000  -0.000   0.000   0.000   6.371  -0.000   0.000
  0.000   3.094   0.000   0.000  -0.000  -0.000   6.371  -0.000
 -0.000   0.000   3.088   0.000  -0.000   0.000  -0.000   6.373
  0.000   0.000   0.000   3.094   0.000  -0.000  -0.000  -0.000
  0.000  -0.000  -0.000   0.000   3.088  -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  -0.000  -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
 total augmentation occupancy for first ion, spin component:           1
  1.996   0.000   0.000   0.000  -0.000  -0.003  -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   1.996  -0.000  -0.000  -0.000   0.000  -0.003   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000   1.995  -0.000   0.000  -0.000   0.000  -0.004   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000   1.996  -0.000  -0.000   0.000  -0.000  -0.003   0.000  -0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.000   1.995  -0.000   0.000   0.000   0.000  -0.004   0.000  -0.000   0.000   0.000   0.000   0.000
 -0.003   0.000   0.000  -0.000   0.000   0.005  -0.000   0.000  -0.000  -0.000  -0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.003   0.000  -0.000   0.000  -0.000   0.005  -0.000   0.000   0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.004   0.000   0.000   0.000  -0.000   0.023  -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000  -0.000  -0.000  -0.003  -0.000  -0.000   0.000   0.000   0.005   0.000   0.000  -0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000  -0.000  -0.004  -0.000   0.000   0.000   0.000   0.023  -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   2.041  -0.014   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  -0.014   0.009   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   0.758   0.000  -0.000  -0.055
  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   0.758  -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   0.758   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  -0.055   0.000   0.000   0.005
  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  -0.055  -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  -0.055   0.000


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


    CHARGE:  cpu time    0.1240: real time    0.2448
    FORLOC:  cpu time    0.0025: real time    0.0032
    FORNL :  cpu time    0.4796: real time    0.7150
    STRESS:  cpu time    2.7223: real time    3.1627
    FORCOR:  cpu time    0.0396: real time    0.0504
    FORHAR:  cpu time    0.0166: real time    0.0182
    MIXING:  cpu time    0.0018: real time    0.0070
    OFIELD:  cpu time    0.0001: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    36.16035    36.16035    36.16035
  Ewald    -463.61043  -463.61043  -463.61043     0.00000    -0.00000    -0.00000
  Hartree   166.88860   166.88860   166.88860     0.00000     0.00000     0.00000
  E(xc)     -90.42652   -90.42652   -90.42652     0.00001     0.00001     0.00001
  Local    -118.58618  -118.58618  -118.58618     0.00018     0.00018     0.00018
  n-local   178.77937   182.33852   179.58474    -0.51899     0.46252     0.30413
  augment    96.62404    96.62404    96.62404    -0.00012    -0.00012    -0.00012
  Kinetic   189.57206   197.40265   193.64004    -2.38383     3.71936     1.48967
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.82232     0.82232     0.82232    -0.00000    -0.00000     0.00000
  in kB      19.60209    19.60209    19.60209    -0.00000    -0.00000     0.00000
  external pressure =       19.60 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      300.00
  volume of cell :       67.21
      direct lattice vectors                 reciprocal lattice vectors
    -3.227050000 -3.227050000  0.000000000    -0.154940271 -0.154940271  0.154940271
    -3.227050000  0.000000000 -3.227050000    -0.154940271  0.154940271 -0.154940271
     0.000000000 -3.227050000 -3.227050000     0.154940271 -0.154940271 -0.154940271

  length of vectors
     4.563737876  4.563737876  4.563737876     0.268364421  0.268364421  0.268364421


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.298E-13 0.433E-13 0.101E-13   0.260E-14 0.102E-14 0.277E-14   -.662E-23 -.662E-23 -.662E-23   0.117E-13 0.177E-13 -.455E-13
   0.142E-13 0.795E-13 -.327E-12   0.139E-15 -.867E-16 -.160E-14   0.414E-24 0.827E-24 -.827E-24   0.290E-14 -.718E-15 0.594E-14
 -----------------------------------------------------------------------------------------------
   0.440E-13 0.123E-12 -.317E-12   0.274E-14 0.937E-15 0.118E-14   -.620E-23 -.579E-23 -.744E-23   0.146E-13 0.170E-13 -.395E-13


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000     -0.000000
     -3.22705     -3.22705     -3.22705         0.000000     -0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -7.49631325 eV

  energy  without entropy=       -7.49631325  energy(sigma->0) =       -7.49631325



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


    POTLOK:  cpu time    0.0639: real time    0.0712


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


 writing wavefunctions
     LOOP+:  cpu time   43.4802: real time   55.6995


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



 plasma frequency squared (from intraband transitions) (eV^2)
  --------------------------------------------------------------------------------------
       0.000      -0.000       0.000
      -0.000       0.000      -0.000
      -0.000       0.000       0.000

 electrical conductivity sigma (Mega S m-1) (frequency dependency in vasprun.xml)
  --------------------------------------------------------------------------------------
       0.000       0.000      -0.000
      -0.000       0.000       0.000
       0.000       0.000       0.000

 plasma frequency squared (from interband transitions, int dw w eps(2)(w)) (eV^2)
  --------------------------------------------------------------------------------------
     200.189       0.000       0.000       0.000      -0.000      -0.000
       0.000      -0.000     200.189       0.000      -0.000       0.000
      -0.000       0.000      -0.000      -0.000     200.189       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):     410.304

 Anomalous Hall contribution (eV) 2/pi Imag((f_n-f_m)<u_m| d/dk_a u_n> <u_m| d/dk_b u_n>^*) 
  --------------------------------------------------------------------------------------
       0.000       0.000       0.000
      -0.000       0.000       0.000
      -0.000      -0.000       0.000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000
    0.302362    0.491427    0.491427    0.491427    0.000000    0.000000   -0.000000
    0.604724    1.295176    1.295176    1.295176    0.000000    0.000000   -0.000000
    0.907087    3.136381    3.136381    3.136381    0.000000    0.000000   -0.000000
    1.209449   10.396633   10.396633   10.396633   -0.000000    0.000000    0.000000
    1.511811   31.612136   31.612136   31.612136    0.000000    0.000000    0.000000
    1.814173   72.335612   72.335612   72.335612    0.000000   -0.000000   -0.000000
    2.116535   57.775879   57.775879   57.775879   -0.000000   -0.000000   -0.000000
    2.418897   37.849446   37.849446   37.849446    0.000000   -0.000000   -0.000000
    2.721260   19.531896   19.531896   19.531896   -0.000000   -0.000000   -0.000000
    3.023622   12.618953   12.618953   12.618953    0.000000   -0.000000   -0.000000
    3.325984    7.808427    7.808427    7.808427    0.000000   -0.000000   -0.000000
    3.628346    6.740550    6.740550    6.740550   -0.000000   -0.000000    0.000000
    3.930708    4.253674    4.253674    4.253674   -0.000000    0.000000   -0.000000
    4.233071    3.297152    3.297152    3.297152    0.000000    0.000000   -0.000000
    4.535433    2.633958    2.633958    2.633958    0.000000    0.000000   -0.000000
    4.837795    2.247384    2.247384    2.247384    0.000000    0.000000   -0.000000
    5.140157    2.317420    2.317420    2.317420    0.000000    0.000000   -0.000000
    5.442519    2.945238    2.945238    2.945238   -0.000000   -0.000000    0.000000
    5.744881    3.426274    3.426274    3.426274   -0.000000   -0.000000    0.000000
    6.047244    4.547055    4.547055    4.547055    0.000000   -0.000000   -0.000000
    6.349606    4.363891    4.363891    4.363891   -0.000000   -0.000000    0.000000
    6.651968    5.001373    5.001373    5.001373   -0.000000   -0.000000    0.000000
    6.954330    4.281912    4.281912    4.281912    0.000000    0.000000    0.000000
    7.256692    2.638916    2.638916    2.638916    0.000000    0.000000    0.000000
    7.559054    2.009105    2.009105    2.009105   -0.000000   -0.000000    0.000000
    7.861417    1.366840    1.366840    1.366840    0.000000    0.000000   -0.000000
    8.163779    1.067569    1.067569    1.067569    0.000000    0.000000   -0.000000
    8.466141    1.003783    1.003783    1.003783    0.000000    0.000000   -0.000000
    8.768503    0.870184    0.870184    0.870184   -0.000000   -0.000000   -0.000000
    9.070865    0.898377    0.898377    0.898377    0.000000    0.000000   -0.000000
    9.373228    0.890925    0.890925    0.890925    0.000000    0.000000   -0.000000
    9.675590    1.052986    1.052986    1.052986    0.000000   -0.000000   -0.000000
    9.977952    0.756518    0.756518    0.756518    0.000000    0.000000   -0.000000
   10.280314    0.653578    0.653578    0.653578    0.000000   -0.000000   -0.000000
   10.582676    0.417650    0.417650    0.417650    0.000000    0.000000   -0.000000
   10.885038    0.408930    0.408930    0.408930    0.000000   -0.000000   -0.000000
   11.187401    0.329914    0.329914    0.329914   -0.000000   -0.000000   -0.000000
   11.489763    0.284568    0.284568    0.284568   -0.000000   -0.000000   -0.000000
   11.792125    0.295127    0.295127    0.295127    0.000000   -0.000000    0.000000
   12.094487    0.255544    0.255544    0.255544    0.000000   -0.000000    0.000000
   12.396849    0.287973    0.287973    0.287973   -0.000000   -0.000000    0.000000
   12.699212    0.235412    0.235412    0.235412   -0.000000   -0.000000    0.000000
   13.001574    0.261493    0.261493    0.261493   -0.000000   -0.000000   -0.000000
   13.303936    0.221832    0.221832    0.221832   -0.000000   -0.000000    0.000000
   13.606298    0.189704    0.189704    0.189704   -0.000000   -0.000000    0.000000
   13.908660    0.216256    0.216256    0.216256   -0.000000   -0.000000    0.000000
   14.211022    0.108313    0.108313    0.108313   -0.000000    0.000000    0.000000
   14.513385    0.149724    0.149724    0.149724    0.000000    0.000000   -0.000000
   14.815747    0.106046    0.106046    0.106046    0.000000    0.000000   -0.000000
   15.118109    0.132516    0.132516    0.132516    0.000000    0.000000   -0.000000
   15.420471    0.119722    0.119722    0.119722    0.000000    0.000000   -0.000000
   15.722833    0.116285    0.116285    0.116285    0.000000    0.000000    0.000000
   16.025196    0.077101    0.077101    0.077101    0.000000   -0.000000   -0.000000
   16.327558    0.040839    0.040839    0.040839    0.000000   -0.000000   -0.000000
   16.629920    0.031747    0.031747    0.031747    0.000000    0.000000   -0.000000
   16.932282    0.029757    0.029757    0.029757    0.000000    0.000000    0.000000
   17.234644    0.034141    0.034141    0.034141    0.000000    0.000000    0.000000
   17.537006    0.064697    0.064697    0.064697    0.000000    0.000000    0.000000
   17.839369    0.189766    0.189766    0.189766    0.000000    0.000000    0.000000
   18.141731    0.426724    0.426724    0.426724    0.000000    0.000000    0.000000
   18.444093    0.450721    0.450721    0.450721   -0.000000    0.000000   -0.000000
   18.746455    0.372109    0.372109    0.372109    0.000000    0.000000    0.000000
   19.048817    0.298658    0.298658    0.298658   -0.000000   -0.000000    0.000000
   19.351179    0.284952    0.284952    0.284952   -0.000000   -0.000000    0.000000
   19.653542    0.264641    0.264641    0.264641   -0.000000   -0.000000    0.000000
   19.955904    0.245895    0.245895    0.245895   -0.000000   -0.000000    0.000000
   20.258266    0.307501    0.307501    0.307501    0.000000    0.000000    0.000000
   20.560628    0.276109    0.276109    0.276109    0.000000   -0.000000   -0.000000
   20.862990    0.310289    0.310289    0.310289   -0.000000   -0.000000   -0.000000
   21.165353    0.221044    0.221044    0.221044    0.000000   -0.000000   -0.000000
   21.467715    0.208817    0.208817    0.208817    0.000000   -0.000000   -0.000000
   21.770077    0.209435    0.209435    0.209435    0.000000    0.000000   -0.000000
   22.072439    0.202196    0.202196    0.202196   -0.000000    0.000000   -0.000000
   22.374801    0.162350    0.162350    0.162350   -0.000000   -0.000000    0.000000
   22.677163    0.130076    0.130076    0.130076   -0.000000   -0.000000    0.000000
   22.979526    0.108837    0.108837    0.108837   -0.000000   -0.000000    0.000000
   23.281888    0.071556    0.071556    0.071556    0.000000    0.000000    0.000000
   23.584250    0.050777    0.050777    0.050777   -0.000000    0.000000   -0.000000
   23.886612    0.030529    0.030529    0.030529    0.000000   -0.000000   -0.000000
   24.188974    0.013712    0.013712    0.013712    0.000000    0.000000   -0.000000
   24.491337    0.011544    0.011544    0.011544    0.000000    0.000000   -0.000000
   24.793699    0.007427    0.007427    0.007427    0.000000    0.000000   -0.000000
   25.096061    0.005700    0.005700    0.005700    0.000000   -0.000000   -0.000000
   25.398423    0.004961    0.004961    0.004961    0.000000   -0.000000   -0.000000
   25.700785    0.004454    0.004454    0.004454    0.000000   -0.000000   -0.000000
   26.003147    0.004064    0.004064    0.004064    0.000000   -0.000000   -0.000000
   26.305510    0.003747    0.003747    0.003747    0.000000   -0.000000   -0.000000
   26.607872    0.003483    0.003483    0.003483    0.000000   -0.000000   -0.000000
   26.910234    0.003255    0.003255    0.003255    0.000000   -0.000000   -0.000000
   27.212596    0.003058    0.003058    0.003058    0.000000   -0.000000   -0.000000
   27.514958    0.002883    0.002883    0.002883    0.000000   -0.000000   -0.000000
   27.817321    0.002727    0.002727    0.002727    0.000000   -0.000000   -0.000000
   28.119683    0.002586    0.002586    0.002586    0.000000   -0.000000   -0.000000
   28.422045    0.002459    0.002459    0.002459    0.000000   -0.000000   -0.000000
   28.724407    0.002343    0.002343    0.002343    0.000000   -0.000000   -0.000000
   29.026769    0.002236    0.002236    0.002236    0.000000   -0.000000   -0.000000
   29.329131    0.002137    0.002137    0.002137    0.000000   -0.000000   -0.000000
   29.631494    0.002046    0.002046    0.002046    0.000000   -0.000000   -0.000000
   29.933856    0.001962    0.001962    0.001962    0.000000   -0.000000   -0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) density-density
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   28.816385   28.816385   28.816385    0.000000   -0.000000   -0.000000
    0.302362   29.521894   29.521894   29.521894    0.000000   -0.000000   -0.000000
    0.604724   31.932857   31.932857   31.932857    0.000000    0.000000   -0.000000
    0.907087   37.111667   37.111667   37.111667    0.000000   -0.000000   -0.000000
    1.209449   45.241224   45.241224   45.241224    0.000000    0.000000    0.000000
    1.511811   56.219775   56.219775   56.219775    0.000000    0.000000   -0.000000
    1.814173   33.105819   33.105819   33.105819    0.000000   -0.000000   -0.000000
    2.116535  -11.070877  -11.070877  -11.070877   -0.000000   -0.000000   -0.000000
    2.418897  -20.020626  -20.020626  -20.020626   -0.000000    0.000000    0.000000
    2.721260  -21.395497  -21.395497  -21.395497   -0.000000   -0.000000    0.000000
    3.023622  -16.477240  -16.477240  -16.477240   -0.000000    0.000000    0.000000
    3.325984  -12.724871  -12.724871  -12.724871   -0.000000    0.000000    0.000000
    3.628346   -9.681557   -9.681557   -9.681557   -0.000000    0.000000    0.000000
    3.930708   -8.557857   -8.557857   -8.557857    0.000000    0.000000    0.000000
    4.233071   -6.007126   -6.007126   -6.007126    0.000000    0.000000    0.000000
    4.535433   -4.733869   -4.733869   -4.733869   -0.000000    0.000000    0.000000
    4.837795   -3.274158   -3.274158   -3.274158   -0.000000   -0.000000    0.000000
    5.140157   -1.942032   -1.942032   -1.942032   -0.000000    0.000000    0.000000
    5.442519   -1.107973   -1.107973   -1.107973   -0.000000   -0.000000    0.000000
    5.744881   -0.908323   -0.908323   -0.908323   -0.000000    0.000000    0.000000
    6.047244   -0.628136   -0.628136   -0.628136   -0.000000    0.000000    0.000000
    6.349606   -1.602951   -1.602951   -1.602951   -0.000000    0.000000    0.000000
    6.651968   -2.321946   -2.321946   -2.321946    0.000000    0.000000    0.000000
    6.954330   -3.488184   -3.488184   -3.488184    0.000000    0.000000    0.000000
    7.256692   -3.731557   -3.731557   -3.731557   -0.000000   -0.000000    0.000000
    7.559054   -3.198784   -3.198784   -3.198784   -0.000000   -0.000000    0.000000
    7.861417   -2.764686   -2.764686   -2.764686   -0.000000    0.000000   -0.000000
    8.163779   -2.228494   -2.228494   -2.228494   -0.000000   -0.000000    0.000000
    8.466141   -1.957866   -1.957866   -1.957866   -0.000000   -0.000000    0.000000
    8.768503   -1.512743   -1.512743   -1.512743   -0.000000   -0.000000    0.000000
    9.070865   -1.391156   -1.391156   -1.391156    0.000000    0.000000    0.000000
    9.373228   -1.135338   -1.135338   -1.135338   -0.000000    0.000000    0.000000
    9.675590   -1.257876   -1.257876   -1.257876   -0.000000    0.000000    0.000000
    9.977952   -1.242282   -1.242282   -1.242282   -0.000000    0.000000    0.000000
   10.280314   -1.131263   -1.131263   -1.131263   -0.000000    0.000000    0.000000
   10.582676   -1.013674   -1.013674   -1.013674   -0.000000    0.000000    0.000000
   10.885038   -0.767047   -0.767047   -0.767047   -0.000000   -0.000000    0.000000
   11.187401   -0.726043   -0.726043   -0.726043   -0.000000    0.000000    0.000000
   11.489763   -0.543363   -0.543363   -0.543363   -0.000000    0.000000    0.000000
   11.792125   -0.444684   -0.444684   -0.444684   -0.000000    0.000000    0.000000
   12.094487   -0.368710   -0.368710   -0.368710   -0.000000    0.000000    0.000000
   12.396849   -0.254083   -0.254083   -0.254083   -0.000000    0.000000    0.000000
   12.699212   -0.255944   -0.255944   -0.255944   -0.000000    0.000000    0.000000
   13.001574   -0.144383   -0.144383   -0.144383   -0.000000    0.000000    0.000000
   13.303936   -0.146778   -0.146778   -0.146778   -0.000000    0.000000    0.000000
   13.606298   -0.064305   -0.064305   -0.064305   -0.000000    0.000000    0.000000
   13.908660   -0.056003   -0.056003   -0.056003   -0.000000    0.000000    0.000000
   14.211022    0.010322    0.010322    0.010322   -0.000000    0.000000    0.000000
   14.513385    0.096424    0.096424    0.096424   -0.000000    0.000000    0.000000
   14.815747    0.123682    0.123682    0.123682   -0.000000    0.000000    0.000000
   15.118109    0.195982    0.195982    0.195982   -0.000000    0.000000    0.000000
   15.420471    0.204746    0.204746    0.204746   -0.000000    0.000000    0.000000
   15.722833    0.243885    0.243885    0.243885   -0.000000    0.000000    0.000000
   16.025196    0.263306    0.263306    0.263306   -0.000000    0.000000    0.000000
   16.327558    0.328840    0.328840    0.328840   -0.000000    0.000000    0.000000
   16.629920    0.395847    0.395847    0.395847   -0.000000    0.000000    0.000000
   16.932282    0.466346    0.466346    0.466346   -0.000000    0.000000    0.000000
   17.234644    0.545240    0.545240    0.545240   -0.000000    0.000000    0.000000
   17.537006    0.652436    0.652436    0.652436   -0.000000    0.000000    0.000000
   17.839369    0.775589    0.775589    0.775589   -0.000000    0.000000    0.000000
   18.141731    0.712344    0.712344    0.712344   -0.000000    0.000000    0.000000
   18.444093    0.527241    0.527241    0.527241   -0.000000   -0.000000    0.000000
   18.746455    0.434146    0.434146    0.434146   -0.000000   -0.000000    0.000000
   19.048817    0.482815    0.482815    0.482815   -0.000000   -0.000000    0.000000
   19.351179    0.485793    0.485793    0.485793   -0.000000   -0.000000    0.000000
   19.653542    0.460727    0.460727    0.460727   -0.000000    0.000000    0.000000
   19.955904    0.511841    0.511841    0.511841   -0.000000    0.000000    0.000000
   20.258266    0.496728    0.496728    0.496728   -0.000000   -0.000000   -0.000000
   20.560628    0.505584    0.505584    0.505584   -0.000000    0.000000   -0.000000
   20.862990    0.429050    0.429050    0.429050   -0.000000    0.000000    0.000000
   21.165353    0.428380    0.428380    0.428380   -0.000000    0.000000    0.000000
   21.467715    0.469387    0.469387    0.469387   -0.000000    0.000000    0.000000
   21.770077    0.466303    0.466303    0.466303   -0.000000    0.000000    0.000000
   22.072439    0.438872    0.438872    0.438872   -0.000000    0.000000    0.000000
   22.374801    0.437800    0.437800    0.437800   -0.000000    0.000000    0.000000
   22.677163    0.427292    0.427292    0.427292   -0.000000    0.000000    0.000000
   22.979526    0.451225    0.451225    0.451225   -0.000000    0.000000    0.000000
   23.281888    0.462795    0.462795    0.462795   -0.000000    0.000000    0.000000
   23.584250    0.477261    0.477261    0.477261   -0.000000    0.000000    0.000000
   23.886612    0.506421    0.506421    0.506421   -0.000000    0.000000    0.000000
   24.188974    0.536530    0.536530    0.536530   -0.000000    0.000000    0.000000
   24.491337    0.561354    0.561354    0.561354   -0.000000    0.000000    0.000000
   24.793699    0.580418    0.580418    0.580418   -0.000000    0.000000    0.000000
   25.096061    0.599254    0.599254    0.599254   -0.000000    0.000000    0.000000
   25.398423    0.615244    0.615244    0.615244   -0.000000    0.000000    0.000000
   25.700785    0.629423    0.629423    0.629423   -0.000000    0.000000    0.000000
   26.003147    0.642268    0.642268    0.642268   -0.000000    0.000000    0.000000
   26.305510    0.654056    0.654056    0.654056   -0.000000    0.000000    0.000000
   26.607872    0.664970    0.664970    0.664970   -0.000000    0.000000    0.000000
   26.910234    0.675145    0.675145    0.675145   -0.000000    0.000000    0.000000
   27.212596    0.684680    0.684680    0.684680   -0.000000    0.000000    0.000000
   27.514958    0.693653    0.693653    0.693653   -0.000000    0.000000    0.000000
   27.817321    0.702128    0.702128    0.702128   -0.000000    0.000000    0.000000
   28.119683    0.710156    0.710156    0.710156   -0.000000    0.000000    0.000000
   28.422045    0.717779    0.717779    0.717779   -0.000000    0.000000    0.000000
   28.724407    0.725035    0.725035    0.725035   -0.000000    0.000000    0.000000
   29.026769    0.731954    0.731954    0.731954   -0.000000    0.000000    0.000000
   29.329131    0.738563    0.738563    0.738563   -0.000000    0.000000    0.000000
   29.631494    0.744886    0.744886    0.744886   -0.000000    0.000000    0.000000
   29.933856    0.750943    0.750943    0.750943   -0.000000    0.000000    0.000000

  frequency dependent IMAGINARY DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)      X         Y         Z        XY        YZ        ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000  184.855400  184.855400  184.855400    0.000000    0.000000   -0.000000
    0.302362   19.447876   19.447876   19.447876    0.000000    0.000000   -0.000000
    0.604724   11.607616   11.607616   11.607616    0.000000    0.000000   -0.000000
    0.907087   11.240783   11.240783   11.240783    0.000000    0.000000   -0.000000
    1.209449   17.930778   17.930778   17.930778    0.000000    0.000000   -0.000000
    1.511811   39.618911   39.618911   39.618911    0.000000    0.000000   -0.000000
    1.814173   76.109261   76.109261   76.109261    0.000000    0.000000   -0.000000
    2.116535   56.143104   56.143104   56.143104   -0.000000   -0.000000   -0.000000
    2.418897   35.887209   35.887209   35.887209    0.000000   -0.000000    0.000000
    2.721260   17.727760   17.727760   17.727760    0.000000    0.000000    0.000000
    3.023622   11.394244   11.394244   11.394244    0.000000    0.000000    0.000000
    3.325984    6.947806    6.947806    6.947806    0.000000    0.000000    0.000000
    3.628346    6.139510    6.139510    6.139510    0.000000   -0.000000    0.000000
    3.930708    3.743524    3.743524    3.743524    0.000000    0.000000    0.000000
    4.233071    2.963849    2.963849    2.963849    0.000000   -0.000000    0.000000
    4.535433    2.376248    2.376248    2.376248    0.000000    0.000000   -0.000000
    4.837795    2.070238    2.070238    2.070238   -0.000000    0.000000    0.000000
    5.140157    2.206670    2.206670    2.206670    0.000000    0.000000    0.000000
    5.442519    2.872307    2.872307    2.872307    0.000000    0.000000   -0.000000
    5.744881    3.359988    3.359988    3.359988    0.000000    0.000000    0.000000
    6.047244    4.500722    4.500722    4.500722    0.000000    0.000000    0.000000
    6.349606    4.280207    4.280207    4.280207    0.000000    0.000000    0.000000
    6.651968    4.897713    4.897713    4.897713    0.000000    0.000000    0.000000
    6.954330    4.145854    4.145854    4.145854    0.000000    0.000000   -0.000000
    7.256692    2.502137    2.502137    2.502137   -0.000000    0.000000   -0.000000
    7.559054    1.895116    1.895116    1.895116   -0.000000   -0.000000    0.000000
    7.861417    1.268974    1.268974    1.268974   -0.000000    0.000000    0.000000
    8.163779    0.987729    0.987729    0.987729   -0.000000   -0.000000    0.000000
    8.466141    0.932392    0.932392    0.932392   -0.000000   -0.000000    0.000000
    8.768503    0.813603    0.813603    0.813603    0.000000   -0.000000   -0.000000
    9.070865    0.845148    0.845148    0.845148    0.000000    0.000000    0.000000
    9.373228    0.845962    0.845962    0.845962   -0.000000   -0.000000    0.000000
    9.675590    1.005296    1.005296    1.005296   -0.000000    0.000000    0.000000
    9.977952    0.710807    0.710807    0.710807    0.000000    0.000000    0.000000
   10.280314    0.611622    0.611622    0.611622    0.000000    0.000000    0.000000
   10.582676    0.378949    0.378949    0.378949   -0.000000   -0.000000    0.000000
   10.885038    0.376718    0.376718    0.376718   -0.000000   -0.000000    0.000000
   11.187401    0.298598    0.298598    0.298598    0.000000    0.000000   -0.000000
   11.489763    0.257731    0.257731    0.257731   -0.000000   -0.000000    0.000000
   11.792125    0.270609    0.270609    0.270609   -0.000000    0.000000    0.000000
   12.094487    0.232797    0.232797    0.232797    0.000000    0.000000   -0.000000
   12.396849    0.268001    0.268001    0.268001    0.000000    0.000000    0.000000
   12.699212    0.215364    0.215364    0.215364    0.000000    0.000000   -0.000000
   13.001574    0.244065    0.244065    0.244065    0.000000    0.000000   -0.000000
   13.303936    0.204420    0.204420    0.204420    0.000000    0.000000    0.000000
   13.606298    0.174074    0.174074    0.174074    0.000000    0.000000   -0.000000
   13.908660    0.200878    0.200878    0.200878    0.000000    0.000000    0.000000
   14.211022    0.094303    0.094303    0.094303    0.000000    0.000000    0.000000
   14.513385    0.137336    0.137336    0.137336    0.000000    0.000000    0.000000
   14.815747    0.094131    0.094131    0.094131    0.000000    0.000000    0.000000
   15.118109    0.121958    0.121958    0.121958    0.000000    0.000000    0.000000
   15.420471    0.109333    0.109333    0.109333    0.000000    0.000000    0.000000
   15.722833    0.106657    0.106657    0.106657   -0.000000   -0.000000    0.000000
   16.025196    0.067809    0.067809    0.067809   -0.000000    0.000000    0.000000
   16.327558    0.032589    0.032589    0.032589    0.000000    0.000000   -0.000000
   16.629920    0.024465    0.024465    0.024465    0.000000   -0.000000    0.000000
   16.932282    0.023459    0.023459    0.023459    0.000000    0.000000    0.000000
   17.234644    0.028887    0.028887    0.028887    0.000000    0.000000    0.000000
   17.537006    0.060854    0.060854    0.060854   -0.000000    0.000000    0.000000
   17.839369    0.187658    0.187658    0.187658    0.000000    0.000000    0.000000
   18.141731    0.423813    0.423813    0.423813    0.000000    0.000000   -0.000000
   18.444093    0.445463    0.445463    0.445463   -0.000000   -0.000000    0.000000
   18.746455    0.365827    0.365827    0.365827    0.000000   -0.000000    0.000000
   19.048817    0.293330    0.293330    0.293330   -0.000000    0.000000    0.000000
   19.351179    0.279708    0.279708    0.279708    0.000000    0.000000    0.000000
   19.653542    0.259038    0.259038    0.259038    0.000000    0.000000   -0.000000
   19.955904    0.241035    0.241035    0.241035   -0.000000   -0.000000   -0.000000
   20.258266    0.302494    0.302494    0.302494    0.000000   -0.000000   -0.000000
   20.560628    0.271405    0.271405    0.271405   -0.000000   -0.000000   -0.000000
   20.862990    0.304676    0.304676    0.304676    0.000000   -0.000000   -0.000000
   21.165353    0.215604    0.215604    0.215604    0.000000    0.000000   -0.000000
   21.467715    0.203947    0.203947    0.203947    0.000000    0.000000   -0.000000
   21.770077    0.204570    0.204570    0.204570   -0.000000    0.000000    0.000000
   22.072439    0.197064    0.197064    0.197064    0.000000   -0.000000   -0.000000
   22.374801    0.157312    0.157312    0.157312   -0.000000   -0.000000   -0.000000
   22.677163    0.124933    0.124933    0.124933    0.000000   -0.000000   -0.000000
   22.979526    0.104038    0.104038    0.104038    0.000000   -0.000000   -0.000000
   23.281888    0.066909    0.066909    0.066909   -0.000000   -0.000000    0.000000
   23.584250    0.046284    0.046284    0.046284   -0.000000   -0.000000   -0.000000
   23.886612    0.026370    0.026370    0.026370   -0.000000   -0.000000   -0.000000
   24.188974    0.009874    0.009874    0.009874    0.000000    0.000000   -0.000000
   24.491337    0.007960    0.007960    0.007960   -0.000000   -0.000000   -0.000000
   24.793699    0.004038    0.004038    0.004038   -0.000000   -0.000000   -0.000000
   25.096061    0.002505    0.002505    0.002505   -0.000000   -0.000000   -0.000000
   25.398423    0.001931    0.001931    0.001931    0.000000   -0.000000   -0.000000
   25.700785    0.001570    0.001570    0.001570    0.000000    0.000000   -0.000000
   26.003147    0.001312    0.001312    0.001312    0.000000    0.000000   -0.000000
   26.305510    0.001117    0.001117    0.001117    0.000000    0.000000   -0.000000
   26.607872    0.000964    0.000964    0.000964    0.000000    0.000000   -0.000000
   26.910234    0.000841    0.000841    0.000841    0.000000    0.000000   -0.000000
   27.212596    0.000740    0.000740    0.000740    0.000000    0.000000   -0.000000
   27.514958    0.000656    0.000656    0.000656    0.000000    0.000000   -0.000000
   27.817321    0.000585    0.000585    0.000585    0.000000    0.000000   -0.000000
   28.119683    0.000525    0.000525    0.000525    0.000000    0.000000   -0.000000
   28.422045    0.000473    0.000473    0.000473    0.000000    0.000000   -0.000000
   28.724407    0.000428    0.000428    0.000428    0.000000    0.000000   -0.000000
   29.026769    0.000389    0.000389    0.000389    0.000000    0.000000   -0.000000
   29.329131    0.000355    0.000355    0.000355    0.000000    0.000000   -0.000000
   29.631494    0.000324    0.000324    0.000324    0.000000    0.000000   -0.000000
   29.933856    0.000297    0.000297    0.000297    0.000000    0.000000   -0.000000

  frequency dependent      REAL DIELECTRIC FUNCTION (independent particle, no local field effects) current-current (2nd set in vasprun.xml)
     E(ev)        X           Y           Z          XY          YZ          ZX
  --------------------------------------------------------------------------------------------------------------
    0.000000   28.632210   28.632210   28.632210    0.000000    0.000000   -0.000000
    0.302362   29.317829   29.317829   29.317829    0.000000    0.000000   -0.000000
    0.604724   31.648050   31.648050   31.648050    0.000000    0.000000   -0.000000
    0.907087   36.644768   36.644768   36.644768    0.000000    0.000000   -0.000000
    1.209449   43.704953   43.704953   43.704953    0.000000    0.000000   -0.000000
    1.511811   51.966736   51.966736   51.966736    0.000000    0.000000   -0.000000
    1.814173   23.975742   23.975742   23.975742    0.000000   -0.000000   -0.000000
    2.116535  -16.777469  -16.777469  -16.777469   -0.000000   -0.000000    0.000000
    2.418897  -23.216665  -23.216665  -23.216665    0.000000   -0.000000    0.000000
    2.721260  -22.675138  -22.675138  -22.675138   -0.000000   -0.000000   -0.000000
    3.023622  -17.239623  -17.239623  -17.239623    0.000000   -0.000000   -0.000000
    3.325984  -13.126682  -13.126682  -13.126682   -0.000000   -0.000000    0.000000
    3.628346  -10.035084  -10.035084  -10.035084   -0.000000   -0.000000   -0.000000
    3.930708   -8.740335   -8.740335   -8.740335   -0.000000   -0.000000   -0.000000
    4.233071   -6.142484   -6.142484   -6.142484   -0.000000   -0.000000   -0.000000
    4.535433   -4.830681   -4.830681   -4.830681   -0.000000   -0.000000   -0.000000
    4.837795   -3.350706   -3.350706   -3.350706   -0.000000   -0.000000   -0.000000
    5.140157   -2.018163   -2.018163   -2.018163   -0.000000   -0.000000   -0.000000
    5.442519   -1.207971   -1.207971   -1.207971   -0.000000   -0.000000    0.000000
    5.744881   -1.020295   -1.020295   -1.020295   -0.000000   -0.000000    0.000000
    6.047244   -0.781065   -0.781065   -0.781065   -0.000000    0.000000    0.000000
    6.349606   -1.733620   -1.733620   -1.733620   -0.000000   -0.000000   -0.000000
    6.651968   -2.477085   -2.477085   -2.477085   -0.000000    0.000000   -0.000000
    6.954330   -3.613366   -3.613366   -3.613366   -0.000000   -0.000000   -0.000000
    7.256692   -3.797591   -3.797591   -3.797591   -0.000000   -0.000000    0.000000
    7.559054   -3.248776   -3.248776   -3.248776   -0.000000   -0.000000    0.000000
    7.861417   -2.794719   -2.794719   -2.794719   -0.000000   -0.000000    0.000000
    8.163779   -2.249927   -2.249927   -2.249927   -0.000000   -0.000000   -0.000000
    8.466141   -1.978519   -1.978519   -1.978519   -0.000000   -0.000000   -0.000000
    8.768503   -1.529288   -1.529288   -1.529288   -0.000000   -0.000000   -0.000000
    9.070865   -1.408454   -1.408454   -1.408454   -0.000000   -0.000000    0.000000
    9.373228   -1.151864   -1.151864   -1.151864   -0.000000   -0.000000    0.000000
    9.675590   -1.279218   -1.279218   -1.279218   -0.000000   -0.000000   -0.000000
    9.977952   -1.255452   -1.255452   -1.255452   -0.000000   -0.000000   -0.000000
   10.280314   -1.142637   -1.142637   -1.142637   -0.000000   -0.000000   -0.000000
   10.582676   -1.019365   -1.019365   -1.019365   -0.000000   -0.000000   -0.000000
   10.885038   -0.773078   -0.773078   -0.773078   -0.000000   -0.000000   -0.000000
   11.187401   -0.730270   -0.730270   -0.730270   -0.000000   -0.000000   -0.000000
   11.489763   -0.546819   -0.546819   -0.546819   -0.000000   -0.000000   -0.000000
   11.792125   -0.448430   -0.448430   -0.448430   -0.000000   -0.000000   -0.000000
   12.094487   -0.371582   -0.371582   -0.371582   -0.000000   -0.000000   -0.000000
   12.396849   -0.257732   -0.257732   -0.257732   -0.000000   -0.000000   -0.000000
   12.699212   -0.258389   -0.258389   -0.258389   -0.000000   -0.000000   -0.000000
   13.001574   -0.147566   -0.147566   -0.147566   -0.000000   -0.000000   -0.000000
   13.303936   -0.149110   -0.149110   -0.149110   -0.000000   -0.000000   -0.000000
   13.606298   -0.066082   -0.066082   -0.066082   -0.000000   -0.000000   -0.000000
   13.908660   -0.058520   -0.058520   -0.058520   -0.000000   -0.000000   -0.000000
   14.211022    0.009874    0.009874    0.009874   -0.000000   -0.000000   -0.000000
   14.513385    0.095018    0.095018    0.095018   -0.000000   -0.000000   -0.000000
   14.815747    0.123142    0.123142    0.123142   -0.000000   -0.000000   -0.000000
   15.118109    0.194884    0.194884    0.194884   -0.000000   -0.000000   -0.000000
   15.420471    0.203888    0.203888    0.203888   -0.000000   -0.000000   -0.000000
   15.722833    0.242988    0.242988    0.242988   -0.000000   -0.000000   -0.000000
   16.025196    0.263001    0.263001    0.263001   -0.000000   -0.000000   -0.000000
   16.327558    0.329028    0.329028    0.329028   -0.000000   -0.000000   -0.000000
   16.629920    0.396113    0.396113    0.396113   -0.000000   -0.000000   -0.000000
   16.932282    0.466626    0.466626    0.466626   -0.000000   -0.000000   -0.000000
   17.234644    0.545494    0.545494    0.545494   -0.000000   -0.000000   -0.000000
   17.537006    0.652389    0.652389    0.652389   -0.000000   -0.000000   -0.000000
   17.839369    0.774062    0.774062    0.774062   -0.000000   -0.000000   -0.000000
   18.141731    0.707650    0.707650    0.707650   -0.000000   -0.000000   -0.000000
   18.444093    0.522468    0.522468    0.522468   -0.000000   -0.000000   -0.000000
   18.746455    0.430428    0.430428    0.430428   -0.000000   -0.000000   -0.000000
   19.048817    0.480087    0.480087    0.480087   -0.000000   -0.000000   -0.000000
   19.351179    0.483274    0.483274    0.483274   -0.000000   -0.000000   -0.000000
   19.653542    0.458440    0.458440    0.458440   -0.000000   -0.000000   -0.000000
   19.955904    0.509829    0.509829    0.509829   -0.000000   -0.000000   -0.000000
   20.258266    0.493868    0.493868    0.493868   -0.000000   -0.000000   -0.000000
   20.560628    0.503288    0.503288    0.503288   -0.000000   -0.000000   -0.000000
   20.862990    0.426237    0.426237    0.426237   -0.000000   -0.000000   -0.000000
   21.165353    0.426660    0.426660    0.426660   -0.000000   -0.000000    0.000000
   21.467715    0.467756    0.467756    0.467756   -0.000000   -0.000000    0.000000
   21.770077    0.464681    0.464681    0.464681   -0.000000   -0.000000    0.000000
   22.072439    0.437303    0.437303    0.437303   -0.000000   -0.000000   -0.000000
   22.374801    0.436670    0.436670    0.436670   -0.000000   -0.000000   -0.000000
   22.677163    0.426453    0.426453    0.426453   -0.000000   -0.000000   -0.000000
   22.979526    0.450534    0.450534    0.450534   -0.000000   -0.000000    0.000000
   23.281888    0.462494    0.462494    0.462494   -0.000000   -0.000000    0.000000
   23.584250    0.477116    0.477116    0.477116   -0.000000   -0.000000   -0.000000
   23.886612    0.506438    0.506438    0.506438   -0.000000   -0.000000   -0.000000
   24.188974    0.536701    0.536701    0.536701   -0.000000   -0.000000   -0.000000
   24.491337    0.561521    0.561521    0.561521   -0.000000   -0.000000   -0.000000
   24.793699    0.580614    0.580614    0.580614   -0.000000   -0.000000   -0.000000
   25.096061    0.599454    0.599454    0.599454   -0.000000   -0.000000   -0.000000
   25.398423    0.615442    0.615442    0.615442   -0.000000   -0.000000   -0.000000
   25.700785    0.629618    0.629618    0.629618   -0.000000   -0.000000   -0.000000
   26.003147    0.642460    0.642460    0.642460   -0.000000   -0.000000   -0.000000
   26.305510    0.654244    0.654244    0.654244   -0.000000   -0.000000   -0.000000
   26.607872    0.665155    0.665155    0.665155   -0.000000   -0.000000   -0.000000
   26.910234    0.675326    0.675326    0.675326   -0.000000   -0.000000   -0.000000
   27.212596    0.684857    0.684857    0.684857   -0.000000   -0.000000   -0.000000
   27.514958    0.693827    0.693827    0.693827   -0.000000   -0.000000   -0.000000
   27.817321    0.702299    0.702299    0.702299   -0.000000   -0.000000   -0.000000
   28.119683    0.710323    0.710323    0.710323   -0.000000   -0.000000   -0.000000
   28.422045    0.717944    0.717944    0.717944   -0.000000   -0.000000   -0.000000
   28.724407    0.725196    0.725196    0.725196   -0.000000   -0.000000   -0.000000
   29.026769    0.732112    0.732112    0.732112   -0.000000   -0.000000   -0.000000
   29.329131    0.738718    0.738718    0.738718   -0.000000   -0.000000   -0.000000
   29.631494    0.745038    0.745038    0.745038   -0.000000   -0.000000   -0.000000
   29.933856    0.751092    0.751092    0.751092   -0.000000   -0.000000   -0.000000

 The outermost node in the dielectric function lies at epsilon=  14.2


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


    OPTICS:  cpu time    2.4915: real time    2.9550
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    81592. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :      34353. kBytes
   fftplans  :       1158. kBytes
   grid      :       2182. kBytes
   one-center:         31. kBytes
   wavefun   :      13868. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       49.503
                            User time (sec):       48.087
                          System time (sec):        1.416
                         Elapsed time (sec):       63.498
  
                   Maximum memory used (kb):      151708.
                   Average memory used (kb):           0.
  
                          Minor page faults:        53481
                          Major page faults:           50
                 Voluntary context switches:          662
