 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jun 30 2017 11:24:31) complex           
 executed on             LinuxGNU date 2017.07.05  10:46:09
 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 Si 05Jan2001                  
 POTCAR:    PAW_PBE Si 05Jan2001                  
   VRHFIN =Si: s2p2                                                             
   LEXCH  = PE                                                                  
   EATOM  =   103.0669 eV,    7.5752 Ry                                         
                                                                                
   TITEL  = PAW_PBE Si 05Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   28.085; ZVAL   =    4.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.480; RWIGS  =    1.312    wigner-seitz radius (au A)           
   ENMAX  =  245.345; ENMIN  =  184.009 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  322.069                                                            
   DEXC   =    0.000                                                            
   RMAX   =    1.950    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.993    radius for radial grids                                 
   RDEPT  =    1.837    core radius for aug-charge                              
                                                                                
   Atomic configuration                                                         
    6 entries                                                                   
     n  l   j            E        occ.                                          
     1  0  0.50     -1785.8828   2.0000                                         
     2  0  0.50      -139.4969   2.0000                                         
     2  1  1.50       -95.5546   6.0000                                         
     3  0  0.50       -10.8127   2.0000                                         
     3  1  0.50        -4.0811   2.0000                                         
     3  2  1.50        -4.0817   0.0000                                         
   Description                                                                  
     l       E           TYP  RCUT    TYP  RCUT                                 
     0    -10.8127223     23  1.900                                             
     0     -7.6451159     23  1.900                                             
     1     -4.0811372     23  1.900                                             
     1      2.4879257     23  1.900                                             
     2     -4.0817478      7  1.900                                             
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8

  PAW_PBE Si 05Jan2001                  :
 energy of atom  1       EATOM= -103.0669
 kinetic energy error for atom=    0.0019 (will be added to EATOM!!)


 POSCAR: Si, equal                               
  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 2.37   2 2.37   2 2.37   2 2.37
   2  0.250  0.250  0.250-   1 2.37   1 2.37   1 2.37   1 2.37

  LATTYP: Found a face centered cubic cell.
 ALAT       =     5.4671121158
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.7335560579,   2.7335560579)
 A2 = (   2.7335560579,   0.0000000000,   2.7335560579)
 A3 = (   2.7335560579,   2.7335560579,   0.0000000000)


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

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


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


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


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

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


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


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


 Subroutine INISYM returns: Found 48 space group operations
 (whereof 24 operations are pure point group operations),
 and found     1 'primitive' translations



 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    2     1.000000   120.000000    -0.577350    -0.577350    -0.577350     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    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    5    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
    6    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
    7     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
    8     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    9     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   10    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   11    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   13     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   14     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   15     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   16    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   17    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   18    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   19     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   20     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   21     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   22    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   23    -1.000000   180.000000     0.707107    -0.707107     0.000000     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     0.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   26    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   27    -1.000000   120.000000     0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   28     1.000000    90.000000     0.000000     0.000000    -1.000000     0.250000     0.250000     0.250000
   29     1.000000   180.000000     0.000000     0.707107     0.707107     0.250000     0.250000     0.250000
   30     1.000000    90.000000     0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   31    -1.000000   180.000000     0.000000     0.000000     1.000000     0.250000     0.250000     0.250000
   32    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.250000     0.250000     0.250000
   33    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   34     1.000000    90.000000     0.000000     0.000000     1.000000     0.250000     0.250000     0.250000
   35     1.000000    90.000000    -1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   36     1.000000   180.000000     0.707107     0.000000     0.707107     0.250000     0.250000     0.250000
   37    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   38    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.250000     0.250000     0.250000
   39    -1.000000   180.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   40     1.000000    90.000000     0.000000    -1.000000     0.000000     0.250000     0.250000     0.250000
   41     1.000000   180.000000     0.707107     0.707107     0.000000     0.250000     0.250000     0.250000
   42     1.000000    90.000000     1.000000     0.000000     0.000000     0.250000     0.250000     0.250000
   43    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.250000     0.250000     0.250000
   44    -1.000000   180.000000     0.000000     1.000000     0.000000     0.250000     0.250000     0.250000
   45    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.250000     0.250000     0.250000
   46     1.000000   180.000000     0.000000    -0.707107     0.707107     0.250000     0.250000     0.250000
   47     1.000000   180.000000     0.707107    -0.707107     0.000000     0.250000     0.250000     0.250000
   48     1.000000   180.000000     0.707107     0.000000    -0.707107     0.250000     0.250000     0.250000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    165 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.058824  0.000000  0.000000      8.000000
  0.117647  0.000000  0.000000      8.000000
  0.176471  0.000000  0.000000      8.000000
  0.235294  0.000000  0.000000      8.000000
  0.294118  0.000000  0.000000      8.000000
  0.352941  0.000000  0.000000      8.000000
  0.411765  0.000000  0.000000      8.000000
  0.470588  0.000000  0.000000      8.000000
  0.058824  0.058824  0.000000      6.000000
  0.117647  0.058824  0.000000     24.000000
  0.176471  0.058824  0.000000     24.000000
  0.235294  0.058824  0.000000     24.000000
  0.294118  0.058824  0.000000     24.000000
  0.352941  0.058824  0.000000     24.000000
  0.411765  0.058824  0.000000     24.000000
  0.470588  0.058824  0.000000     24.000000
 -0.470588  0.058824  0.000000     24.000000
 -0.411765  0.058824  0.000000     24.000000
 -0.352941  0.058824  0.000000     24.000000
 -0.294118  0.058824  0.000000     24.000000
 -0.235294  0.058824  0.000000     24.000000
 -0.176471  0.058824  0.000000     24.000000
 -0.117647  0.058824  0.000000     24.000000
 -0.058824  0.058824  0.000000     12.000000
  0.117647  0.117647  0.000000      6.000000
  0.176471  0.117647  0.000000     24.000000
  0.235294  0.117647  0.000000     24.000000
  0.294118  0.117647  0.000000     24.000000
  0.352941  0.117647  0.000000     24.000000
  0.411765  0.117647  0.000000     24.000000
  0.470588  0.117647  0.000000     24.000000
 -0.470588  0.117647  0.000000     24.000000
 -0.411765  0.117647  0.000000     24.000000
 -0.352941  0.117647  0.000000     24.000000
 -0.294118  0.117647  0.000000     24.000000
 -0.235294  0.117647  0.000000     24.000000
 -0.176471  0.117647  0.000000     24.000000
 -0.117647  0.117647  0.000000     12.000000
  0.176471  0.176471  0.000000      6.000000
  0.235294  0.176471  0.000000     24.000000
  0.294118  0.176471  0.000000     24.000000
  0.352941  0.176471  0.000000     24.000000
  0.411765  0.176471  0.000000     24.000000
  0.470588  0.176471  0.000000     24.000000
 -0.470588  0.176471  0.000000     24.000000
 -0.411765  0.176471  0.000000     24.000000
 -0.352941  0.176471  0.000000     24.000000
 -0.294118  0.176471  0.000000     24.000000
 -0.235294  0.176471  0.000000     24.000000
 -0.176471  0.176471  0.000000     12.000000
  0.235294  0.235294  0.000000      6.000000
  0.294118  0.235294  0.000000     24.000000
  0.352941  0.235294  0.000000     24.000000
  0.411765  0.235294  0.000000     24.000000
  0.470588  0.235294  0.000000     24.000000
 -0.470588  0.235294  0.000000     24.000000
 -0.411765  0.235294  0.000000     24.000000
 -0.352941  0.235294  0.000000     24.000000
 -0.294118  0.235294  0.000000     24.000000
 -0.235294  0.235294  0.000000     12.000000
  0.294118  0.294118  0.000000      6.000000
  0.352941  0.294118  0.000000     24.000000
  0.411765  0.294118  0.000000     24.000000
  0.470588  0.294118  0.000000     24.000000
 -0.470588  0.294118  0.000000     24.000000
 -0.411765  0.294118  0.000000     24.000000
 -0.352941  0.294118  0.000000     24.000000
 -0.294118  0.294118  0.000000     12.000000
  0.352941  0.352941  0.000000      6.000000
  0.411765  0.352941  0.000000     24.000000
  0.470588  0.352941  0.000000     24.000000
 -0.470588  0.352941  0.000000     24.000000
 -0.411765  0.352941  0.000000     24.000000
 -0.352941  0.352941  0.000000     12.000000
  0.411765  0.411765  0.000000      6.000000
  0.470588  0.411765  0.000000     24.000000
 -0.470588  0.411765  0.000000     24.000000
 -0.411765  0.411765  0.000000     12.000000
  0.470588  0.470588  0.000000      6.000000
 -0.470588  0.470588  0.000000     12.000000
  0.176471  0.117647  0.058824     24.000000
  0.235294  0.117647  0.058824     48.000000
  0.294118  0.117647  0.058824     48.000000
  0.352941  0.117647  0.058824     48.000000
  0.411765  0.117647  0.058824     48.000000
  0.470588  0.117647  0.058824     48.000000
 -0.470588  0.117647  0.058824     48.000000
  0.235294  0.176471  0.058824     24.000000
  0.294118  0.176471  0.058824     48.000000
  0.352941  0.176471  0.058824     48.000000
  0.411765  0.176471  0.058824     48.000000
  0.470588  0.176471  0.058824     48.000000
 -0.470588  0.176471  0.058824     48.000000
 -0.411765  0.176471  0.058824     48.000000
 -0.352941  0.176471  0.058824     48.000000
 -0.294118  0.176471  0.058824     48.000000
 -0.235294  0.176471  0.058824     48.000000
 -0.176471  0.176471  0.058824     48.000000
 -0.117647  0.176471  0.058824     24.000000
  0.294118  0.235294  0.058824     24.000000
  0.352941  0.235294  0.058824     48.000000
  0.411765  0.235294  0.058824     48.000000
  0.470588  0.235294  0.058824     48.000000
 -0.470588  0.235294  0.058824     48.000000
 -0.411765  0.235294  0.058824     48.000000
 -0.352941  0.235294  0.058824     48.000000
 -0.294118  0.235294  0.058824     48.000000
 -0.235294  0.235294  0.058824     48.000000
 -0.176471  0.235294  0.058824     24.000000
  0.352941  0.294118  0.058824     24.000000
  0.411765  0.294118  0.058824     48.000000
  0.470588  0.294118  0.058824     48.000000
 -0.470588  0.294118  0.058824     48.000000
 -0.411765  0.294118  0.058824     48.000000
 -0.352941  0.294118  0.058824     48.000000
 -0.294118  0.294118  0.058824     48.000000
 -0.235294  0.294118  0.058824     24.000000
  0.411765  0.352941  0.058824     24.000000
  0.470588  0.352941  0.058824     48.000000
 -0.470588  0.352941  0.058824     48.000000
 -0.411765  0.352941  0.058824     48.000000
 -0.352941  0.352941  0.058824     48.000000
 -0.294118  0.352941  0.058824     24.000000
  0.470588  0.411765  0.058824     24.000000
 -0.470588  0.411765  0.058824     48.000000
 -0.411765  0.411765  0.058824     48.000000
 -0.352941  0.411765  0.058824     24.000000
 -0.470588  0.470588  0.058824     24.000000
 -0.411765  0.470588  0.058824     24.000000
  0.352941  0.235294  0.117647     24.000000
  0.411765  0.235294  0.117647     48.000000
  0.470588  0.235294  0.117647     48.000000
 -0.470588  0.235294  0.117647     48.000000
 -0.411765  0.235294  0.117647     48.000000
  0.411765  0.294118  0.117647     24.000000
  0.470588  0.294118  0.117647     48.000000
 -0.470588  0.294118  0.117647     48.000000
 -0.411765  0.294118  0.117647     48.000000
 -0.352941  0.294118  0.117647     48.000000
 -0.294118  0.294118  0.117647     48.000000
 -0.235294  0.294118  0.117647     48.000000
 -0.176471  0.294118  0.117647     24.000000
  0.470588  0.352941  0.117647     24.000000
 -0.470588  0.352941  0.117647     48.000000
 -0.411765  0.352941  0.117647     48.000000
 -0.352941  0.352941  0.117647     48.000000
 -0.294118  0.352941  0.117647     48.000000
 -0.235294  0.352941  0.117647     24.000000
 -0.470588  0.411765  0.117647     24.000000
 -0.411765  0.411765  0.117647     48.000000
 -0.352941  0.411765  0.117647     48.000000
 -0.294118  0.411765  0.117647     24.000000
 -0.411765  0.470588  0.117647     24.000000
 -0.352941  0.470588  0.117647     24.000000
 -0.470588  0.352941  0.176471     24.000000
 -0.411765  0.352941  0.176471     48.000000
 -0.352941  0.352941  0.176471     48.000000
 -0.411765  0.411765  0.176471     24.000000
 -0.352941  0.411765  0.176471     48.000000
 -0.294118  0.411765  0.176471     48.000000
 -0.235294  0.411765  0.176471     24.000000
 -0.352941  0.470588  0.176471     24.000000
 -0.294118  0.470588  0.176471     24.000000
 -0.294118  0.470588  0.235294     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 -0.058824  0.058824  0.058824      8.000000
 -0.117647  0.117647  0.117647      8.000000
 -0.176471  0.176471  0.176471      8.000000
 -0.235294  0.235294  0.235294      8.000000
 -0.294118  0.294118  0.294118      8.000000
 -0.352941  0.352941  0.352941      8.000000
 -0.411765  0.411765  0.411765      8.000000
 -0.470588  0.470588  0.470588      8.000000
  0.000000  0.000000  0.117647      6.000000
 -0.058824  0.058824  0.176471     24.000000
 -0.117647  0.117647  0.235294     24.000000
 -0.176471  0.176471  0.294118     24.000000
 -0.235294  0.235294  0.352941     24.000000
 -0.294118  0.294118  0.411765     24.000000
 -0.352941  0.352941  0.470588     24.000000
 -0.411765  0.411765  0.529412     24.000000
  0.529412 -0.529412 -0.411765     24.000000
  0.470588 -0.470588 -0.352941     24.000000
  0.411765 -0.411765 -0.294118     24.000000
  0.352941 -0.352941 -0.235294     24.000000
  0.294118 -0.294118 -0.176471     24.000000
  0.235294 -0.235294 -0.117647     24.000000
  0.176471 -0.176471 -0.058824     24.000000
  0.117647 -0.117647  0.000000     12.000000
  0.000000  0.000000  0.235294      6.000000
 -0.058824  0.058824  0.294118     24.000000
 -0.117647  0.117647  0.352941     24.000000
 -0.176471  0.176471  0.411765     24.000000
 -0.235294  0.235294  0.470588     24.000000
 -0.294118  0.294118  0.529412     24.000000
 -0.352941  0.352941  0.588235     24.000000
  0.588235 -0.588235 -0.352941     24.000000
  0.529412 -0.529412 -0.294118     24.000000
  0.470588 -0.470588 -0.235294     24.000000
  0.411765 -0.411765 -0.176471     24.000000
  0.352941 -0.352941 -0.117647     24.000000
  0.294118 -0.294118 -0.058824     24.000000
  0.235294 -0.235294  0.000000     12.000000
  0.000000  0.000000  0.352941      6.000000
 -0.058824  0.058824  0.411765     24.000000
 -0.117647  0.117647  0.470588     24.000000
 -0.176471  0.176471  0.529412     24.000000
 -0.235294  0.235294  0.588235     24.000000
 -0.294118  0.294118  0.647059     24.000000
  0.647059 -0.647059 -0.294118     24.000000
  0.588235 -0.588235 -0.235294     24.000000
  0.529412 -0.529412 -0.176471     24.000000
  0.470588 -0.470588 -0.117647     24.000000
  0.411765 -0.411765 -0.058824     24.000000
  0.352941 -0.352941  0.000000     12.000000
  0.000000  0.000000  0.470588      6.000000
 -0.058824  0.058824  0.529412     24.000000
 -0.117647  0.117647  0.588235     24.000000
 -0.176471  0.176471  0.647059     24.000000
 -0.235294  0.235294  0.705882     24.000000
  0.705882 -0.705882 -0.235294     24.000000
  0.647059 -0.647059 -0.176471     24.000000
  0.588235 -0.588235 -0.117647     24.000000
  0.529412 -0.529412 -0.058824     24.000000
  0.470588 -0.470588  0.000000     12.000000
  0.000000  0.000000  0.588235      6.000000
 -0.058824  0.058824  0.647059     24.000000
 -0.117647  0.117647  0.705882     24.000000
 -0.176471  0.176471  0.764706     24.000000
  0.764706 -0.764706 -0.176471     24.000000
  0.705882 -0.705882 -0.117647     24.000000
  0.647059 -0.647059 -0.058824     24.000000
  0.588235 -0.588235  0.000000     12.000000
  0.000000  0.000000  0.705882      6.000000
 -0.058824  0.058824  0.764706     24.000000
 -0.117647  0.117647  0.823529     24.000000
  0.823529 -0.823529 -0.117647     24.000000
  0.764706 -0.764706 -0.058824     24.000000
  0.705882 -0.705882  0.000000     12.000000
  0.000000  0.000000  0.823529      6.000000
 -0.058824  0.058824  0.882353     24.000000
  0.882353 -0.882353 -0.058824     24.000000
  0.823529 -0.823529  0.000000     12.000000
  0.000000  0.000000  0.941176      6.000000
  0.941176 -0.941176  0.000000     12.000000
  0.000000  0.117647  0.235294     24.000000
 -0.058824  0.176471  0.294118     48.000000
 -0.117647  0.235294  0.352941     48.000000
 -0.176471  0.294118  0.411765     48.000000
 -0.235294  0.352941  0.470588     48.000000
 -0.294118  0.411765  0.529412     48.000000
  0.647059 -0.529412 -0.411765     48.000000
  0.000000  0.117647  0.352941     24.000000
 -0.058824  0.176471  0.411765     48.000000
 -0.117647  0.235294  0.470588     48.000000
 -0.176471  0.294118  0.529412     48.000000
 -0.235294  0.352941  0.588235     48.000000
  0.705882 -0.588235 -0.352941     48.000000
  0.647059 -0.529412 -0.294118     48.000000
  0.588235 -0.470588 -0.235294     48.000000
  0.529412 -0.411765 -0.176471     48.000000
  0.470588 -0.352941 -0.117647     48.000000
  0.411765 -0.294118 -0.058824     48.000000
  0.352941 -0.235294  0.000000     24.000000
  0.000000  0.117647  0.470588     24.000000
 -0.058824  0.176471  0.529412     48.000000
 -0.117647  0.235294  0.588235     48.000000
 -0.176471  0.294118  0.647059     48.000000
  0.764706 -0.647059 -0.294118     48.000000
  0.705882 -0.588235 -0.235294     48.000000
  0.647059 -0.529412 -0.176471     48.000000
  0.588235 -0.470588 -0.117647     48.000000
  0.529412 -0.411765 -0.058824     48.000000
  0.470588 -0.352941  0.000000     24.000000
 -0.000000  0.117647  0.588235     24.000000
 -0.058824  0.176471  0.647059     48.000000
 -0.117647  0.235294  0.705882     48.000000
  0.823529 -0.705882 -0.235294     48.000000
  0.764706 -0.647059 -0.176471     48.000000
  0.705882 -0.588235 -0.117647     48.000000
  0.647059 -0.529412 -0.058824     48.000000
  0.588235 -0.470588  0.000000     24.000000
  0.000000  0.117647  0.705882     24.000000
 -0.058824  0.176471  0.764706     48.000000
  0.882353 -0.764706 -0.176471     48.000000
  0.823529 -0.705882 -0.117647     48.000000
  0.764706 -0.647059 -0.058824     48.000000
  0.705882 -0.588235  0.000000     24.000000
  0.000000  0.117647  0.823529     24.000000
  0.941176 -0.823529 -0.117647     48.000000
  0.882353 -0.764706 -0.058824     48.000000
  0.823529 -0.705882  0.000000     24.000000
  1.000000 -0.882353 -0.058824     24.000000
  0.941176 -0.823529  0.000000     24.000000
  0.000000  0.235294  0.470588     24.000000
 -0.058824  0.294118  0.529412     48.000000
 -0.117647  0.352941  0.588235     48.000000
  0.823529 -0.588235 -0.352941     48.000000
  0.764706 -0.529412 -0.294118     48.000000
  0.000000  0.235294  0.588235     24.000000
 -0.058824  0.294118  0.647059     48.000000
  0.882353 -0.647059 -0.294118     48.000000
  0.823529 -0.588235 -0.235294     48.000000
  0.764706 -0.529412 -0.176471     48.000000
  0.705882 -0.470588 -0.117647     48.000000
  0.647059 -0.411765 -0.058824     48.000000
  0.588235 -0.352941  0.000000     24.000000
  0.000000  0.235294  0.705882     24.000000
  0.941176 -0.705882 -0.235294     48.000000
  0.882353 -0.647059 -0.176471     48.000000
  0.823529 -0.588235 -0.117647     48.000000
  0.764706 -0.529412 -0.058824     48.000000
  0.705882 -0.470588  0.000000     24.000000
  1.000000 -0.764706 -0.176471     24.000000
  0.941176 -0.705882 -0.117647     48.000000
  0.882353 -0.647059 -0.058824     48.000000
  0.823529 -0.588235  0.000000     24.000000
  1.000000 -0.764706 -0.058824     24.000000
  0.941176 -0.705882  0.000000     24.000000
  1.000000 -0.647059 -0.294118     24.000000
  0.941176 -0.588235 -0.235294     48.000000
  0.882353 -0.529412 -0.176471     48.000000
  1.000000 -0.647059 -0.176471     24.000000
  0.941176 -0.588235 -0.117647     48.000000
  0.882353 -0.529412 -0.058824     48.000000
  0.823529 -0.470588  0.000000     24.000000
  1.000000 -0.647059 -0.058824     24.000000
  0.941176 -0.588235  0.000000     24.000000
  1.000000 -0.529412 -0.058824     24.000000
 
 
 Subroutine IBZKPT_HF returns following result:
 ==============================================
 
 Found   4913 k-points in 1st BZ
 the following   4913 k-points will be used (e.g. in the exchange kernel)
 Following reciprocal coordinates:   # in IRBZ
  0.000000  0.000000  0.000000    0.00020354   1 t-inv F
  0.058824  0.000000  0.000000    0.00020354   2 t-inv F
  0.117647  0.000000  0.000000    0.00020354   3 t-inv F
  0.176471  0.000000  0.000000    0.00020354   4 t-inv F
  0.235294  0.000000  0.000000    0.00020354   5 t-inv F
  0.294118  0.000000  0.000000    0.00020354   6 t-inv F
  0.352941  0.000000  0.000000    0.00020354   7 t-inv F
  0.411765  0.000000  0.000000    0.00020354   8 t-inv F
  0.470588  0.000000  0.000000    0.00020354   9 t-inv F
  0.058824  0.058824  0.000000    0.00020354  10 t-inv F
  0.117647  0.058824  0.000000    0.00020354  11 t-inv F
  0.176471  0.058824  0.000000    0.00020354  12 t-inv F
  0.235294  0.058824  0.000000    0.00020354  13 t-inv F
  0.294118  0.058824  0.000000    0.00020354  14 t-inv F
  0.352941  0.058824  0.000000    0.00020354  15 t-inv F
  0.411765  0.058824  0.000000    0.00020354  16 t-inv F
  0.470588  0.058824  0.000000    0.00020354  17 t-inv F
 -0.470588  0.058824  0.000000    0.00020354  18 t-inv F
 -0.411765  0.058824  0.000000    0.00020354  19 t-inv F
 -0.352941  0.058824  0.000000    0.00020354  20 t-inv F
 -0.294118  0.058824  0.000000    0.00020354  21 t-inv F
 -0.235294  0.058824  0.000000    0.00020354  22 t-inv F
 -0.176471  0.058824  0.000000    0.00020354  23 t-inv F
 -0.117647  0.058824  0.000000    0.00020354  24 t-inv F
 -0.058824  0.058824  0.000000    0.00020354  25 t-inv F
  0.117647  0.117647  0.000000    0.00020354  26 t-inv F
  0.176471  0.117647  0.000000    0.00020354  27 t-inv F
  0.235294  0.117647  0.000000    0.00020354  28 t-inv F
  0.294118  0.117647  0.000000    0.00020354  29 t-inv F
  0.352941  0.117647  0.000000    0.00020354  30 t-inv F
  0.411765  0.117647  0.000000    0.00020354  31 t-inv F
  0.470588  0.117647  0.000000    0.00020354  32 t-inv F
 -0.470588  0.117647  0.000000    0.00020354  33 t-inv F
 -0.411765  0.117647  0.000000    0.00020354  34 t-inv F
 -0.352941  0.117647  0.000000    0.00020354  35 t-inv F
 -0.294118  0.117647  0.000000    0.00020354  36 t-inv F
 -0.235294  0.117647  0.000000    0.00020354  37 t-inv F
 -0.176471  0.117647  0.000000    0.00020354  38 t-inv F
 -0.117647  0.117647  0.000000    0.00020354  39 t-inv F
  0.176471  0.176471  0.000000    0.00020354  40 t-inv F
  0.235294  0.176471  0.000000    0.00020354  41 t-inv F
  0.294118  0.176471  0.000000    0.00020354  42 t-inv F
  0.352941  0.176471  0.000000    0.00020354  43 t-inv F
  0.411765  0.176471  0.000000    0.00020354  44 t-inv F
  0.470588  0.176471  0.000000    0.00020354  45 t-inv F
 -0.470588  0.176471  0.000000    0.00020354  46 t-inv F
 -0.411765  0.176471  0.000000    0.00020354  47 t-inv F
 -0.352941  0.176471  0.000000    0.00020354  48 t-inv F
 -0.294118  0.176471  0.000000    0.00020354  49 t-inv F
 -0.235294  0.176471  0.000000    0.00020354  50 t-inv F
 -0.176471  0.176471  0.000000    0.00020354  51 t-inv F
  0.235294  0.235294  0.000000    0.00020354  52 t-inv F
  0.294118  0.235294  0.000000    0.00020354  53 t-inv F
  0.352941  0.235294  0.000000    0.00020354  54 t-inv F
  0.411765  0.235294  0.000000    0.00020354  55 t-inv F
  0.470588  0.235294  0.000000    0.00020354  56 t-inv F
 -0.470588  0.235294  0.000000    0.00020354  57 t-inv F
 -0.411765  0.235294  0.000000    0.00020354  58 t-inv F
 -0.352941  0.235294  0.000000    0.00020354  59 t-inv F
 -0.294118  0.235294  0.000000    0.00020354  60 t-inv F
 -0.235294  0.235294  0.000000    0.00020354  61 t-inv F
  0.294118  0.294118  0.000000    0.00020354  62 t-inv F
  0.352941  0.294118  0.000000    0.00020354  63 t-inv F
  0.411765  0.294118  0.000000    0.00020354  64 t-inv F
  0.470588  0.294118  0.000000    0.00020354  65 t-inv F
 -0.470588  0.294118  0.000000    0.00020354  66 t-inv F
 -0.411765  0.294118  0.000000    0.00020354  67 t-inv F
 -0.352941  0.294118  0.000000    0.00020354  68 t-inv F
 -0.294118  0.294118  0.000000    0.00020354  69 t-inv F
  0.352941  0.352941  0.000000    0.00020354  70 t-inv F
  0.411765  0.352941  0.000000    0.00020354  71 t-inv F
  0.470588  0.352941  0.000000    0.00020354  72 t-inv F
 -0.470588  0.352941  0.000000    0.00020354  73 t-inv F
 -0.411765  0.352941  0.000000    0.00020354  74 t-inv F
 -0.352941  0.352941  0.000000    0.00020354  75 t-inv F
  0.411765  0.411765  0.000000    0.00020354  76 t-inv F
  0.470588  0.411765  0.000000    0.00020354  77 t-inv F
 -0.470588  0.411765  0.000000    0.00020354  78 t-inv F
 -0.411765  0.411765  0.000000    0.00020354  79 t-inv F
  0.470588  0.470588  0.000000    0.00020354  80 t-inv F
 -0.470588  0.470588  0.000000    0.00020354  81 t-inv F
  0.176471  0.117647  0.058824    0.00020354  82 t-inv F
  0.235294  0.117647  0.058824    0.00020354  83 t-inv F
  0.294118  0.117647  0.058824    0.00020354  84 t-inv F
  0.352941  0.117647  0.058824    0.00020354  85 t-inv F
  0.411765  0.117647  0.058824    0.00020354  86 t-inv F
  0.470588  0.117647  0.058824    0.00020354  87 t-inv F
 -0.470588  0.117647  0.058824    0.00020354  88 t-inv F
  0.235294  0.176471  0.058824    0.00020354  89 t-inv F
  0.294118  0.176471  0.058824    0.00020354  90 t-inv F
  0.352941  0.176471  0.058824    0.00020354  91 t-inv F
  0.411765  0.176471  0.058824    0.00020354  92 t-inv F
  0.470588  0.176471  0.058824    0.00020354  93 t-inv F
 -0.470588  0.176471  0.058824    0.00020354  94 t-inv F
 -0.411765  0.176471  0.058824    0.00020354  95 t-inv F
 -0.352941  0.176471  0.058824    0.00020354  96 t-inv F
 -0.294118  0.176471  0.058824    0.00020354  97 t-inv F
 -0.235294  0.176471  0.058824    0.00020354  98 t-inv F
 -0.176471  0.176471  0.058824    0.00020354  99 t-inv F
 -0.117647  0.176471  0.058824    0.00020354 100 t-inv F
  0.294118  0.235294  0.058824    0.00020354 101 t-inv F
  0.352941  0.235294  0.058824    0.00020354 102 t-inv F
  0.411765  0.235294  0.058824    0.00020354 103 t-inv F
  0.470588  0.235294  0.058824    0.00020354 104 t-inv F
 -0.470588  0.235294  0.058824    0.00020354 105 t-inv F
 -0.411765  0.235294  0.058824    0.00020354 106 t-inv F
 -0.352941  0.235294  0.058824    0.00020354 107 t-inv F
 -0.294118  0.235294  0.058824    0.00020354 108 t-inv F
 -0.235294  0.235294  0.058824    0.00020354 109 t-inv F
 -0.176471  0.235294  0.058824    0.00020354 110 t-inv F
  0.352941  0.294118  0.058824    0.00020354 111 t-inv F
  0.411765  0.294118  0.058824    0.00020354 112 t-inv F
  0.470588  0.294118  0.058824    0.00020354 113 t-inv F
 -0.470588  0.294118  0.058824    0.00020354 114 t-inv F
 -0.411765  0.294118  0.058824    0.00020354 115 t-inv F
 -0.352941  0.294118  0.058824    0.00020354 116 t-inv F
 -0.294118  0.294118  0.058824    0.00020354 117 t-inv F
 -0.235294  0.294118  0.058824    0.00020354 118 t-inv F
  0.411765  0.352941  0.058824    0.00020354 119 t-inv F
  0.470588  0.352941  0.058824    0.00020354 120 t-inv F
 -0.470588  0.352941  0.058824    0.00020354 121 t-inv F
 -0.411765  0.352941  0.058824    0.00020354 122 t-inv F
 -0.352941  0.352941  0.058824    0.00020354 123 t-inv F
 -0.294118  0.352941  0.058824    0.00020354 124 t-inv F
  0.470588  0.411765  0.058824    0.00020354 125 t-inv F
 -0.470588  0.411765  0.058824    0.00020354 126 t-inv F
 -0.411765  0.411765  0.058824    0.00020354 127 t-inv F
 -0.352941  0.411765  0.058824    0.00020354 128 t-inv F
 -0.470588  0.470588  0.058824    0.00020354 129 t-inv F
 -0.411765  0.470588  0.058824    0.00020354 130 t-inv F
  0.352941  0.235294  0.117647    0.00020354 131 t-inv F
  0.411765  0.235294  0.117647    0.00020354 132 t-inv F
  0.470588  0.235294  0.117647    0.00020354 133 t-inv F
 -0.470588  0.235294  0.117647    0.00020354 134 t-inv F
 -0.411765  0.235294  0.117647    0.00020354 135 t-inv F
  0.411765  0.294118  0.117647    0.00020354 136 t-inv F
  0.470588  0.294118  0.117647    0.00020354 137 t-inv F
 -0.470588  0.294118  0.117647    0.00020354 138 t-inv F
 -0.411765  0.294118  0.117647    0.00020354 139 t-inv F
 -0.352941  0.294118  0.117647    0.00020354 140 t-inv F
 -0.294118  0.294118  0.117647    0.00020354 141 t-inv F
 -0.235294  0.294118  0.117647    0.00020354 142 t-inv F
 -0.176471  0.294118  0.117647    0.00020354 143 t-inv F
  0.470588  0.352941  0.117647    0.00020354 144 t-inv F
 -0.470588  0.352941  0.117647    0.00020354 145 t-inv F
 -0.411765  0.352941  0.117647    0.00020354 146 t-inv F
 -0.352941  0.352941  0.117647    0.00020354 147 t-inv F
 -0.294118  0.352941  0.117647    0.00020354 148 t-inv F
 -0.235294  0.352941  0.117647    0.00020354 149 t-inv F
 -0.470588  0.411765  0.117647    0.00020354 150 t-inv F
 -0.411765  0.411765  0.117647    0.00020354 151 t-inv F
 -0.352941  0.411765  0.117647    0.00020354 152 t-inv F
 -0.294118  0.411765  0.117647    0.00020354 153 t-inv F
 -0.411765  0.470588  0.117647    0.00020354 154 t-inv F
 -0.352941  0.470588  0.117647    0.00020354 155 t-inv F
 -0.470588  0.352941  0.176471    0.00020354 156 t-inv F
 -0.411765  0.352941  0.176471    0.00020354 157 t-inv F
 -0.352941  0.352941  0.176471    0.00020354 158 t-inv F
 -0.411765  0.411765  0.176471    0.00020354 159 t-inv F
 -0.352941  0.411765  0.176471    0.00020354 160 t-inv F
 -0.294118  0.411765  0.176471    0.00020354 161 t-inv F
 -0.235294  0.411765  0.176471    0.00020354 162 t-inv F
 -0.352941  0.470588  0.176471    0.00020354 163 t-inv F
 -0.294118  0.470588  0.176471    0.00020354 164 t-inv F
 -0.294118  0.470588  0.235294    0.00020354 165 t-inv F
  0.000000  0.058824  0.000000    0.00020354   2 t-inv F
  0.000000  0.000000  0.058824    0.00020354   2 t-inv F
 -0.058824 -0.058824 -0.058824    0.00020354   2 t-inv F
 -0.058824 -0.000000 -0.000000    0.00020354   2 t-inv F
 -0.000000 -0.058824 -0.000000    0.00020354   2 t-inv F
 -0.000000 -0.000000 -0.058824    0.00020354   2 t-inv F
  0.058824  0.058824  0.058824    0.00020354   2 t-inv F
  0.000000  0.117647  0.000000    0.00020354   3 t-inv F
  0.000000  0.000000  0.117647    0.00020354   3 t-inv F
 -0.117647 -0.117647 -0.117647    0.00020354   3 t-inv F
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  0.235294  0.764706  0.411765    0.00020354 160 t-inv F
  0.529412  0.176471 -0.235294    0.00020354 160 t-inv F
  0.235294  0.411765  0.764706    0.00020354 160 t-inv F
 -0.764706 -0.352941 -0.529412    0.00020354 160 t-inv F
  0.352941 -0.176471 -0.411765    0.00020354 160 t-inv F
 -0.411765  0.352941 -0.176471    0.00020354 160 t-inv F
 -0.176471 -0.411765  0.352941    0.00020354 160 t-inv F
  0.176471 -0.294118  0.411765    0.00020354 161 t-inv F
  0.411765  0.176471 -0.294118    0.00020354 161 t-inv F
 -0.411765 -0.235294 -0.705882    0.00020354 161 t-inv F
  0.294118  0.705882  0.470588    0.00020354 161 t-inv F
 -0.176471 -0.470588  0.235294    0.00020354 161 t-inv F
  0.235294 -0.470588 -0.176471    0.00020354 161 t-inv F
 -0.705882 -0.235294 -0.411765    0.00020354 161 t-inv F
  0.470588  0.705882  0.294118    0.00020354 161 t-inv F
  0.470588  0.294118  0.705882    0.00020354 161 t-inv F
  0.235294 -0.176471 -0.470588    0.00020354 161 t-inv F
 -0.705882 -0.411765 -0.235294    0.00020354 161 t-inv F
 -0.176471  0.235294 -0.470588    0.00020354 161 t-inv F
 -0.411765 -0.705882 -0.235294    0.00020354 161 t-inv F
  0.294118  0.470588  0.705882    0.00020354 161 t-inv F
  0.705882  0.470588  0.294118    0.00020354 161 t-inv F
 -0.470588  0.235294 -0.176471    0.00020354 161 t-inv F
 -0.235294 -0.705882 -0.411765    0.00020354 161 t-inv F
 -0.470588 -0.176471  0.235294    0.00020354 161 t-inv F
 -0.235294 -0.411765 -0.705882    0.00020354 161 t-inv F
  0.705882  0.294118  0.470588    0.00020354 161 t-inv F
 -0.294118  0.176471  0.411765    0.00020354 161 t-inv F
  0.411765 -0.294118  0.176471    0.00020354 161 t-inv F
  0.176471  0.411765 -0.294118    0.00020354 161 t-inv F
  0.294118 -0.411765 -0.176471    0.00020354 161 t-inv F
 -0.176471  0.294118 -0.411765    0.00020354 161 t-inv F
 -0.411765 -0.176471  0.294118    0.00020354 161 t-inv F
  0.411765  0.235294  0.705882    0.00020354 161 t-inv F
 -0.294118 -0.705882 -0.470588    0.00020354 161 t-inv F
  0.176471  0.470588 -0.235294    0.00020354 161 t-inv F
 -0.235294  0.470588  0.176471    0.00020354 161 t-inv F
  0.705882  0.235294  0.411765    0.00020354 161 t-inv F
 -0.470588 -0.705882 -0.294118    0.00020354 161 t-inv F
 -0.470588 -0.294118 -0.705882    0.00020354 161 t-inv F
 -0.235294  0.176471  0.470588    0.00020354 161 t-inv F
  0.705882  0.411765  0.235294    0.00020354 161 t-inv F
  0.176471 -0.235294  0.470588    0.00020354 161 t-inv F
  0.411765  0.705882  0.235294    0.00020354 161 t-inv F
 -0.294118 -0.470588 -0.705882    0.00020354 161 t-inv F
 -0.705882 -0.470588 -0.294118    0.00020354 161 t-inv F
  0.470588 -0.235294  0.176471    0.00020354 161 t-inv F
  0.235294  0.705882  0.411765    0.00020354 161 t-inv F
  0.470588  0.176471 -0.235294    0.00020354 161 t-inv F
  0.235294  0.411765  0.705882    0.00020354 161 t-inv F
 -0.705882 -0.294118 -0.470588    0.00020354 161 t-inv F
  0.294118 -0.176471 -0.411765    0.00020354 161 t-inv F
 -0.411765  0.294118 -0.176471    0.00020354 161 t-inv F
 -0.176471 -0.411765  0.294118    0.00020354 161 t-inv F
  0.176471 -0.235294  0.411765    0.00020354 162 t-inv F
  0.411765  0.176471 -0.235294    0.00020354 162 t-inv F
 -0.411765 -0.235294 -0.647059    0.00020354 162 t-inv F
  0.235294  0.647059  0.411765    0.00020354 162 t-inv F
 -0.176471 -0.411765  0.235294    0.00020354 162 t-inv F
  0.235294 -0.411765 -0.176471    0.00020354 162 t-inv F
 -0.647059 -0.235294 -0.411765    0.00020354 162 t-inv F
  0.411765  0.647059  0.235294    0.00020354 162 t-inv F
  0.411765  0.235294  0.647059    0.00020354 162 t-inv F
  0.235294 -0.176471 -0.411765    0.00020354 162 t-inv F
 -0.647059 -0.411765 -0.235294    0.00020354 162 t-inv F
 -0.176471  0.235294 -0.411765    0.00020354 162 t-inv F
 -0.411765 -0.647059 -0.235294    0.00020354 162 t-inv F
  0.235294  0.411765  0.647059    0.00020354 162 t-inv F
  0.647059  0.411765  0.235294    0.00020354 162 t-inv F
 -0.411765  0.235294 -0.176471    0.00020354 162 t-inv F
 -0.235294 -0.647059 -0.411765    0.00020354 162 t-inv F
 -0.411765 -0.176471  0.235294    0.00020354 162 t-inv F
 -0.235294 -0.411765 -0.647059    0.00020354 162 t-inv F
  0.647059  0.235294  0.411765    0.00020354 162 t-inv F
 -0.235294  0.176471  0.411765    0.00020354 162 t-inv F
  0.411765 -0.235294  0.176471    0.00020354 162 t-inv F
  0.176471  0.411765 -0.235294    0.00020354 162 t-inv F
  0.176471 -0.352941  0.470588    0.00020354 163 t-inv F
  0.470588  0.176471 -0.352941    0.00020354 163 t-inv F
 -0.470588 -0.294118 -0.823529    0.00020354 163 t-inv F
  0.352941  0.823529  0.529412    0.00020354 163 t-inv F
 -0.176471 -0.529412  0.294118    0.00020354 163 t-inv F
  0.294118 -0.529412 -0.176471    0.00020354 163 t-inv F
 -0.823529 -0.294118 -0.470588    0.00020354 163 t-inv F
  0.529412  0.823529  0.352941    0.00020354 163 t-inv F
  0.529412  0.352941  0.823529    0.00020354 163 t-inv F
  0.294118 -0.176471 -0.529412    0.00020354 163 t-inv F
 -0.823529 -0.470588 -0.294118    0.00020354 163 t-inv F
 -0.176471  0.294118 -0.529412    0.00020354 163 t-inv F
 -0.470588 -0.823529 -0.294118    0.00020354 163 t-inv F
  0.352941  0.529412  0.823529    0.00020354 163 t-inv F
  0.823529  0.529412  0.352941    0.00020354 163 t-inv F
 -0.529412  0.294118 -0.176471    0.00020354 163 t-inv F
 -0.294118 -0.823529 -0.470588    0.00020354 163 t-inv F
 -0.529412 -0.176471  0.294118    0.00020354 163 t-inv F
 -0.294118 -0.470588 -0.823529    0.00020354 163 t-inv F
  0.823529  0.352941  0.529412    0.00020354 163 t-inv F
 -0.352941  0.176471  0.470588    0.00020354 163 t-inv F
  0.470588 -0.352941  0.176471    0.00020354 163 t-inv F
  0.176471  0.470588 -0.352941    0.00020354 163 t-inv F
  0.176471 -0.294118  0.470588    0.00020354 164 t-inv F
  0.470588  0.176471 -0.294118    0.00020354 164 t-inv F
 -0.470588 -0.294118 -0.764706    0.00020354 164 t-inv F
  0.294118  0.764706  0.470588    0.00020354 164 t-inv F
 -0.176471 -0.470588  0.294118    0.00020354 164 t-inv F
  0.294118 -0.470588 -0.176471    0.00020354 164 t-inv F
 -0.764706 -0.294118 -0.470588    0.00020354 164 t-inv F
  0.470588  0.764706  0.294118    0.00020354 164 t-inv F
  0.470588  0.294118  0.764706    0.00020354 164 t-inv F
  0.294118 -0.176471 -0.470588    0.00020354 164 t-inv F
 -0.764706 -0.470588 -0.294118    0.00020354 164 t-inv F
 -0.176471  0.294118 -0.470588    0.00020354 164 t-inv F
 -0.470588 -0.764706 -0.294118    0.00020354 164 t-inv F
  0.294118  0.470588  0.764706    0.00020354 164 t-inv F
  0.764706  0.470588  0.294118    0.00020354 164 t-inv F
 -0.470588  0.294118 -0.176471    0.00020354 164 t-inv F
 -0.294118 -0.764706 -0.470588    0.00020354 164 t-inv F
 -0.470588 -0.176471  0.294118    0.00020354 164 t-inv F
 -0.294118 -0.470588 -0.764706    0.00020354 164 t-inv F
  0.764706  0.294118  0.470588    0.00020354 164 t-inv F
 -0.294118  0.176471  0.470588    0.00020354 164 t-inv F
  0.470588 -0.294118  0.176471    0.00020354 164 t-inv F
  0.176471  0.470588 -0.294118    0.00020354 164 t-inv F
  0.235294 -0.294118  0.470588    0.00020354 165 t-inv F
  0.470588  0.235294 -0.294118    0.00020354 165 t-inv F
 -0.470588 -0.235294 -0.764706    0.00020354 165 t-inv F
  0.294118  0.764706  0.529412    0.00020354 165 t-inv F
 -0.235294 -0.529412  0.235294    0.00020354 165 t-inv F
  0.235294 -0.529412 -0.235294    0.00020354 165 t-inv F
 -0.764706 -0.235294 -0.470588    0.00020354 165 t-inv F
  0.529412  0.764706  0.294118    0.00020354 165 t-inv F
  0.529412  0.294118  0.764706    0.00020354 165 t-inv F
  0.235294 -0.235294 -0.529412    0.00020354 165 t-inv F
 -0.764706 -0.470588 -0.235294    0.00020354 165 t-inv F
 -0.235294  0.235294 -0.529412    0.00020354 165 t-inv F
 -0.470588 -0.764706 -0.235294    0.00020354 165 t-inv F
  0.294118  0.529412  0.764706    0.00020354 165 t-inv F
  0.764706  0.529412  0.294118    0.00020354 165 t-inv F
 -0.529412  0.235294 -0.235294    0.00020354 165 t-inv F
 -0.235294 -0.764706 -0.470588    0.00020354 165 t-inv F
 -0.529412 -0.235294  0.235294    0.00020354 165 t-inv F
 -0.235294 -0.470588 -0.764706    0.00020354 165 t-inv F
  0.764706  0.294118  0.529412    0.00020354 165 t-inv F
 -0.294118  0.235294  0.470588    0.00020354 165 t-inv F
  0.470588 -0.294118  0.235294    0.00020354 165 t-inv F
  0.235294  0.470588 -0.294118    0.00020354 165 t-inv F


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




 Dimension of arrays:
   k-points           NKPTS =    165   k-points in BZ     NKDIM =    165   number of bands    NBANDS=      8
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  22295
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    30 NGYF=   30 NGZF=   30
   support grid    NGXF=    60 NGYF=   60 NGZF=   60
   ions per type =               2
   NGX,Y,Z   is equivalent  to a cutoff of  10.32, 10.32, 10.32 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  12.90, 12.90, 12.90 a.u.

 SYSTEM =  unknown system                          
 POSCAR =  Si, equal                               

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

 Electronic Relaxation 1
   ENCUT  =  306.7 eV  22.54 Ry    4.75 a.u.   5.52  5.52  5.52*2*pi/ulx,y,z
   ENINI  =  306.7     initial cutoff
   ENAUG  =  322.1 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-02   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   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.342E-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 =  28.09
  Ionic Valenz
   ZVAL   =   4.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =       8.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     0;   SIGMA  =   0.01  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 =  0.31E-05  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      20.43       137.84
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.950678  1.796521 12.296795  0.903789
  Thomas-Fermi vector in A             =   2.079077

 Write flags
   LWAVE        =      F    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  =   0.01


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


  energy-cutoff  :      306.68
  volume of cell :       40.85
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.733556058  2.733556058    -0.182911925  0.182911925  0.182911925
     2.733556058  0.000000000  2.733556058     0.182911925 -0.182911925  0.182911925
     2.733556058  2.733556058  0.000000000     0.182911925  0.182911925 -0.182911925

  length of vectors
     3.865832051  3.865832051  3.865832051     0.316812747  0.316812747  0.316812747



 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
  -0.05882353  0.05882353  0.05882353       0.002
  -0.11764706  0.11764706  0.11764706       0.002
  -0.17647059  0.17647059  0.17647059       0.002
  -0.23529412  0.23529412  0.23529412       0.002
  -0.29411765  0.29411765  0.29411765       0.002
  -0.35294118  0.35294118  0.35294118       0.002
  -0.41176471  0.41176471  0.41176471       0.002
  -0.47058824  0.47058824  0.47058824       0.002
   0.00000000  0.00000000  0.11764706       0.001
  -0.05882353  0.05882353  0.17647059       0.005
  -0.11764706  0.11764706  0.23529412       0.005
  -0.17647059  0.17647059  0.29411765       0.005
  -0.23529412  0.23529412  0.35294118       0.005
  -0.29411765  0.29411765  0.41176471       0.005
  -0.35294118  0.35294118  0.47058824       0.005
  -0.41176471  0.41176471  0.52941176       0.005
   0.52941176 -0.52941176 -0.41176471       0.005
   0.47058824 -0.47058824 -0.35294118       0.005
   0.41176471 -0.41176471 -0.29411765       0.005
   0.35294118 -0.35294118 -0.23529412       0.005
   0.29411765 -0.29411765 -0.17647059       0.005
   0.23529412 -0.23529412 -0.11764706       0.005
   0.17647059 -0.17647059 -0.05882353       0.005
   0.11764706 -0.11764706  0.00000000       0.002
   0.00000000  0.00000000  0.23529412       0.001
  -0.05882353  0.05882353  0.29411765       0.005
  -0.11764706  0.11764706  0.35294118       0.005
  -0.17647059  0.17647059  0.41176471       0.005
  -0.23529412  0.23529412  0.47058824       0.005
  -0.29411765  0.29411765  0.52941176       0.005
  -0.35294118  0.35294118  0.58823529       0.005
   0.58823529 -0.58823529 -0.35294118       0.005
   0.52941176 -0.52941176 -0.29411765       0.005
   0.47058824 -0.47058824 -0.23529412       0.005
   0.41176471 -0.41176471 -0.17647059       0.005
   0.35294118 -0.35294118 -0.11764706       0.005
   0.29411765 -0.29411765 -0.05882353       0.005
   0.23529412 -0.23529412  0.00000000       0.002
   0.00000000  0.00000000  0.35294118       0.001
  -0.05882353  0.05882353  0.41176471       0.005
  -0.11764706  0.11764706  0.47058824       0.005
  -0.17647059  0.17647059  0.52941176       0.005
  -0.23529412  0.23529412  0.58823529       0.005
  -0.29411765  0.29411765  0.64705882       0.005
   0.64705882 -0.64705882 -0.29411765       0.005
   0.58823529 -0.58823529 -0.23529412       0.005
   0.52941176 -0.52941176 -0.17647059       0.005
   0.47058824 -0.47058824 -0.11764706       0.005
   0.41176471 -0.41176471 -0.05882353       0.005
   0.35294118 -0.35294118  0.00000000       0.002
   0.00000000  0.00000000  0.47058824       0.001
  -0.05882353  0.05882353  0.52941176       0.005
  -0.11764706  0.11764706  0.58823529       0.005
  -0.17647059  0.17647059  0.64705882       0.005
  -0.23529412  0.23529412  0.70588235       0.005
   0.70588235 -0.70588235 -0.23529412       0.005
   0.64705882 -0.64705882 -0.17647059       0.005
   0.58823529 -0.58823529 -0.11764706       0.005
   0.52941176 -0.52941176 -0.05882353       0.005
   0.47058824 -0.47058824  0.00000000       0.002
   0.00000000  0.00000000  0.58823529       0.001
  -0.05882353  0.05882353  0.64705882       0.005
  -0.11764706  0.11764706  0.70588235       0.005
  -0.17647059  0.17647059  0.76470588       0.005
   0.76470588 -0.76470588 -0.17647059       0.005
   0.70588235 -0.70588235 -0.11764706       0.005
   0.64705882 -0.64705882 -0.05882353       0.005
   0.58823529 -0.58823529  0.00000000       0.002
   0.00000000  0.00000000  0.70588235       0.001
  -0.05882353  0.05882353  0.76470588       0.005
  -0.11764706  0.11764706  0.82352941       0.005
   0.82352941 -0.82352941 -0.11764706       0.005
   0.76470588 -0.76470588 -0.05882353       0.005
   0.70588235 -0.70588235  0.00000000       0.002
   0.00000000  0.00000000  0.82352941       0.001
  -0.05882353  0.05882353  0.88235294       0.005
   0.88235294 -0.88235294 -0.05882353       0.005
   0.82352941 -0.82352941  0.00000000       0.002
   0.00000000  0.00000000  0.94117647       0.001
   0.94117647 -0.94117647  0.00000000       0.002
   0.00000000  0.11764706  0.23529412       0.005
  -0.05882353  0.17647059  0.29411765       0.010
  -0.11764706  0.23529412  0.35294118       0.010
  -0.17647059  0.29411765  0.41176471       0.010
  -0.23529412  0.35294118  0.47058824       0.010
  -0.29411765  0.41176471  0.52941176       0.010
   0.64705882 -0.52941176 -0.41176471       0.010
   0.00000000  0.11764706  0.35294118       0.005
  -0.05882353  0.17647059  0.41176471       0.010
  -0.11764706  0.23529412  0.47058824       0.010
  -0.17647059  0.29411765  0.52941176       0.010
  -0.23529412  0.35294118  0.58823529       0.010
   0.70588235 -0.58823529 -0.35294118       0.010
   0.64705882 -0.52941176 -0.29411765       0.010
   0.58823529 -0.47058824 -0.23529412       0.010
   0.52941176 -0.41176471 -0.17647059       0.010
   0.47058824 -0.35294118 -0.11764706       0.010
   0.41176471 -0.29411765 -0.05882353       0.010
   0.35294118 -0.23529412  0.00000000       0.005
   0.00000000  0.11764706  0.47058824       0.005
  -0.05882353  0.17647059  0.52941176       0.010
  -0.11764706  0.23529412  0.58823529       0.010
  -0.17647059  0.29411765  0.64705882       0.010
   0.76470588 -0.64705882 -0.29411765       0.010
   0.70588235 -0.58823529 -0.23529412       0.010
   0.64705882 -0.52941176 -0.17647059       0.010
   0.58823529 -0.47058824 -0.11764706       0.010
   0.52941176 -0.41176471 -0.05882353       0.010
   0.47058824 -0.35294118  0.00000000       0.005
  -0.00000000  0.11764706  0.58823529       0.005
  -0.05882353  0.17647059  0.64705882       0.010
  -0.11764706  0.23529412  0.70588235       0.010
   0.82352941 -0.70588235 -0.23529412       0.010
   0.76470588 -0.64705882 -0.17647059       0.010
   0.70588235 -0.58823529 -0.11764706       0.010
   0.64705882 -0.52941176 -0.05882353       0.010
   0.58823529 -0.47058824  0.00000000       0.005
   0.00000000  0.11764706  0.70588235       0.005
  -0.05882353  0.17647059  0.76470588       0.010
   0.88235294 -0.76470588 -0.17647059       0.010
   0.82352941 -0.70588235 -0.11764706       0.010
   0.76470588 -0.64705882 -0.05882353       0.010
   0.70588235 -0.58823529  0.00000000       0.005
   0.00000000  0.11764706  0.82352941       0.005
   0.94117647 -0.82352941 -0.11764706       0.010
   0.88235294 -0.76470588 -0.05882353       0.010
   0.82352941 -0.70588235  0.00000000       0.005
   1.00000000 -0.88235294 -0.05882353       0.005
   0.94117647 -0.82352941  0.00000000       0.005
   0.00000000  0.23529412  0.47058824       0.005
  -0.05882353  0.29411765  0.52941176       0.010
  -0.11764706  0.35294118  0.58823529       0.010
   0.82352941 -0.58823529 -0.35294118       0.010
   0.76470588 -0.52941176 -0.29411765       0.010
   0.00000000  0.23529412  0.58823529       0.005
  -0.05882353  0.29411765  0.64705882       0.010
   0.88235294 -0.64705882 -0.29411765       0.010
   0.82352941 -0.58823529 -0.23529412       0.010
   0.76470588 -0.52941176 -0.17647059       0.010
   0.70588235 -0.47058824 -0.11764706       0.010
   0.64705882 -0.41176471 -0.05882353       0.010
   0.58823529 -0.35294118  0.00000000       0.005
   0.00000000  0.23529412  0.70588235       0.005
   0.94117647 -0.70588235 -0.23529412       0.010
   0.88235294 -0.64705882 -0.17647059       0.010
   0.82352941 -0.58823529 -0.11764706       0.010
   0.76470588 -0.52941176 -0.05882353       0.010
   0.70588235 -0.47058824  0.00000000       0.005
   1.00000000 -0.76470588 -0.17647059       0.005
   0.94117647 -0.70588235 -0.11764706       0.010
   0.88235294 -0.64705882 -0.05882353       0.010
   0.82352941 -0.58823529  0.00000000       0.005
   1.00000000 -0.76470588 -0.05882353       0.005
   0.94117647 -0.70588235  0.00000000       0.005
   1.00000000 -0.64705882 -0.29411765       0.005
   0.94117647 -0.58823529 -0.23529412       0.010
   0.88235294 -0.52941176 -0.17647059       0.010
   1.00000000 -0.64705882 -0.17647059       0.005
   0.94117647 -0.58823529 -0.11764706       0.010
   0.88235294 -0.52941176 -0.05882353       0.010
   0.82352941 -0.47058824  0.00000000       0.005
   1.00000000 -0.64705882 -0.05882353       0.005
   0.94117647 -0.58823529  0.00000000       0.005
   1.00000000 -0.52941176 -0.05882353       0.005

 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       0.000
   0.05882353  0.00000000  0.00000000       0.002
   0.11764706  0.00000000  0.00000000       0.002
   0.17647059  0.00000000  0.00000000       0.002
   0.23529412  0.00000000  0.00000000       0.002
   0.29411765  0.00000000  0.00000000       0.002
   0.35294118  0.00000000  0.00000000       0.002
   0.41176471  0.00000000  0.00000000       0.002
   0.47058824  0.00000000  0.00000000       0.002
   0.05882353  0.05882353  0.00000000       0.001
   0.11764706  0.05882353  0.00000000       0.005
   0.17647059  0.05882353  0.00000000       0.005
   0.23529412  0.05882353  0.00000000       0.005
   0.29411765  0.05882353  0.00000000       0.005
   0.35294118  0.05882353  0.00000000       0.005
   0.41176471  0.05882353  0.00000000       0.005
   0.47058824  0.05882353  0.00000000       0.005
  -0.47058824  0.05882353  0.00000000       0.005
  -0.41176471  0.05882353  0.00000000       0.005
  -0.35294118  0.05882353  0.00000000       0.005
  -0.29411765  0.05882353  0.00000000       0.005
  -0.23529412  0.05882353  0.00000000       0.005
  -0.17647059  0.05882353  0.00000000       0.005
  -0.11764706  0.05882353  0.00000000       0.005
  -0.05882353  0.05882353  0.00000000       0.002
   0.11764706  0.11764706  0.00000000       0.001
   0.17647059  0.11764706  0.00000000       0.005
   0.23529412  0.11764706  0.00000000       0.005
   0.29411765  0.11764706  0.00000000       0.005
   0.35294118  0.11764706  0.00000000       0.005
   0.41176471  0.11764706  0.00000000       0.005
   0.47058824  0.11764706  0.00000000       0.005
  -0.47058824  0.11764706  0.00000000       0.005
  -0.41176471  0.11764706  0.00000000       0.005
  -0.35294118  0.11764706  0.00000000       0.005
  -0.29411765  0.11764706  0.00000000       0.005
  -0.23529412  0.11764706  0.00000000       0.005
  -0.17647059  0.11764706  0.00000000       0.005
  -0.11764706  0.11764706  0.00000000       0.002
   0.17647059  0.17647059  0.00000000       0.001
   0.23529412  0.17647059  0.00000000       0.005
   0.29411765  0.17647059  0.00000000       0.005
   0.35294118  0.17647059  0.00000000       0.005
   0.41176471  0.17647059  0.00000000       0.005
   0.47058824  0.17647059  0.00000000       0.005
  -0.47058824  0.17647059  0.00000000       0.005
  -0.41176471  0.17647059  0.00000000       0.005
  -0.35294118  0.17647059  0.00000000       0.005
  -0.29411765  0.17647059  0.00000000       0.005
  -0.23529412  0.17647059  0.00000000       0.005
  -0.17647059  0.17647059  0.00000000       0.002
   0.23529412  0.23529412  0.00000000       0.001
   0.29411765  0.23529412  0.00000000       0.005
   0.35294118  0.23529412  0.00000000       0.005
   0.41176471  0.23529412  0.00000000       0.005
   0.47058824  0.23529412  0.00000000       0.005
  -0.47058824  0.23529412  0.00000000       0.005
  -0.41176471  0.23529412  0.00000000       0.005
  -0.35294118  0.23529412  0.00000000       0.005
  -0.29411765  0.23529412  0.00000000       0.005
  -0.23529412  0.23529412  0.00000000       0.002
   0.29411765  0.29411765  0.00000000       0.001
   0.35294118  0.29411765  0.00000000       0.005
   0.41176471  0.29411765  0.00000000       0.005
   0.47058824  0.29411765  0.00000000       0.005
  -0.47058824  0.29411765  0.00000000       0.005
  -0.41176471  0.29411765  0.00000000       0.005
  -0.35294118  0.29411765  0.00000000       0.005
  -0.29411765  0.29411765  0.00000000       0.002
   0.35294118  0.35294118  0.00000000       0.001
   0.41176471  0.35294118  0.00000000       0.005
   0.47058824  0.35294118  0.00000000       0.005
  -0.47058824  0.35294118  0.00000000       0.005
  -0.41176471  0.35294118  0.00000000       0.005
  -0.35294118  0.35294118  0.00000000       0.002
   0.41176471  0.41176471  0.00000000       0.001
   0.47058824  0.41176471  0.00000000       0.005
  -0.47058824  0.41176471  0.00000000       0.005
  -0.41176471  0.41176471  0.00000000       0.002
   0.47058824  0.47058824  0.00000000       0.001
  -0.47058824  0.47058824  0.00000000       0.002
   0.17647059  0.11764706  0.05882353       0.005
   0.23529412  0.11764706  0.05882353       0.010
   0.29411765  0.11764706  0.05882353       0.010
   0.35294118  0.11764706  0.05882353       0.010
   0.41176471  0.11764706  0.05882353       0.010
   0.47058824  0.11764706  0.05882353       0.010
  -0.47058824  0.11764706  0.05882353       0.010
   0.23529412  0.17647059  0.05882353       0.005
   0.29411765  0.17647059  0.05882353       0.010
   0.35294118  0.17647059  0.05882353       0.010
   0.41176471  0.17647059  0.05882353       0.010
   0.47058824  0.17647059  0.05882353       0.010
  -0.47058824  0.17647059  0.05882353       0.010
  -0.41176471  0.17647059  0.05882353       0.010
  -0.35294118  0.17647059  0.05882353       0.010
  -0.29411765  0.17647059  0.05882353       0.010
  -0.23529412  0.17647059  0.05882353       0.010
  -0.17647059  0.17647059  0.05882353       0.010
  -0.11764706  0.17647059  0.05882353       0.005
   0.29411765  0.23529412  0.05882353       0.005
   0.35294118  0.23529412  0.05882353       0.010
   0.41176471  0.23529412  0.05882353       0.010
   0.47058824  0.23529412  0.05882353       0.010
  -0.47058824  0.23529412  0.05882353       0.010
  -0.41176471  0.23529412  0.05882353       0.010
  -0.35294118  0.23529412  0.05882353       0.010
  -0.29411765  0.23529412  0.05882353       0.010
  -0.23529412  0.23529412  0.05882353       0.010
  -0.17647059  0.23529412  0.05882353       0.005
   0.35294118  0.29411765  0.05882353       0.005
   0.41176471  0.29411765  0.05882353       0.010
   0.47058824  0.29411765  0.05882353       0.010
  -0.47058824  0.29411765  0.05882353       0.010
  -0.41176471  0.29411765  0.05882353       0.010
  -0.35294118  0.29411765  0.05882353       0.010
  -0.29411765  0.29411765  0.05882353       0.010
  -0.23529412  0.29411765  0.05882353       0.005
   0.41176471  0.35294118  0.05882353       0.005
   0.47058824  0.35294118  0.05882353       0.010
  -0.47058824  0.35294118  0.05882353       0.010
  -0.41176471  0.35294118  0.05882353       0.010
  -0.35294118  0.35294118  0.05882353       0.010
  -0.29411765  0.35294118  0.05882353       0.005
   0.47058824  0.41176471  0.05882353       0.005
  -0.47058824  0.41176471  0.05882353       0.010
  -0.41176471  0.41176471  0.05882353       0.010
  -0.35294118  0.41176471  0.05882353       0.005
  -0.47058824  0.47058824  0.05882353       0.005
  -0.41176471  0.47058824  0.05882353       0.005
   0.35294118  0.23529412  0.11764706       0.005
   0.41176471  0.23529412  0.11764706       0.010
   0.47058824  0.23529412  0.11764706       0.010
  -0.47058824  0.23529412  0.11764706       0.010
  -0.41176471  0.23529412  0.11764706       0.010
   0.41176471  0.29411765  0.11764706       0.005
   0.47058824  0.29411765  0.11764706       0.010
  -0.47058824  0.29411765  0.11764706       0.010
  -0.41176471  0.29411765  0.11764706       0.010
  -0.35294118  0.29411765  0.11764706       0.010
  -0.29411765  0.29411765  0.11764706       0.010
  -0.23529412  0.29411765  0.11764706       0.010
  -0.17647059  0.29411765  0.11764706       0.005
   0.47058824  0.35294118  0.11764706       0.005
  -0.47058824  0.35294118  0.11764706       0.010
  -0.41176471  0.35294118  0.11764706       0.010
  -0.35294118  0.35294118  0.11764706       0.010
  -0.29411765  0.35294118  0.11764706       0.010
  -0.23529412  0.35294118  0.11764706       0.005
  -0.47058824  0.41176471  0.11764706       0.005
  -0.41176471  0.41176471  0.11764706       0.010
  -0.35294118  0.41176471  0.11764706       0.010
  -0.29411765  0.41176471  0.11764706       0.005
  -0.41176471  0.47058824  0.11764706       0.005
  -0.35294118  0.47058824  0.11764706       0.005
  -0.47058824  0.35294118  0.17647059       0.005
  -0.41176471  0.35294118  0.17647059       0.010
  -0.35294118  0.35294118  0.17647059       0.010
  -0.41176471  0.41176471  0.17647059       0.005
  -0.35294118  0.41176471  0.17647059       0.010
  -0.29411765  0.41176471  0.17647059       0.010
  -0.23529412  0.41176471  0.17647059       0.005
  -0.35294118  0.47058824  0.17647059       0.005
  -0.29411765  0.47058824  0.17647059       0.005
  -0.29411765  0.47058824  0.23529412       0.005

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

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   1.36677803  1.36677803  1.36677803



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     531
 k-point  2 :   0.0588 0.0000 0.0000  plane waves:     531
 k-point  3 :   0.1176 0.0000 0.0000  plane waves:     516
 k-point  4 :   0.1765 0.0000 0.0000  plane waves:     513
 k-point  5 :   0.2353 0.0000 0.0000  plane waves:     504
 k-point  6 :   0.2941 0.0000 0.0000  plane waves:     492
 k-point  7 :   0.3529 0.0000 0.0000  plane waves:     492
 k-point  8 :   0.4118 0.0000 0.0000  plane waves:     498
 k-point  9 :   0.4706 0.0000 0.0000  plane waves:     489
 k-point 10 :   0.0588 0.0588 0.0000  plane waves:     531
 k-point 11 :   0.1176 0.0588 0.0000  plane waves:     516
 k-point 12 :   0.1765 0.0588 0.0000  plane waves:     509
 k-point 13 :   0.2353 0.0588 0.0000  plane waves:     504
 k-point 14 :   0.2941 0.0588 0.0000  plane waves:     504
 k-point 15 :   0.3529 0.0588 0.0000  plane waves:     502
 k-point 16 :   0.4118 0.0588 0.0000  plane waves:     502
 k-point 17 :   0.4706 0.0588 0.0000  plane waves:     495
 k-point 18 :  -0.4706 0.0588 0.0000  plane waves:     489
 k-point 19 :  -0.4118 0.0588 0.0000  plane waves:     493
 k-point 20 :  -0.3529 0.0588 0.0000  plane waves:     500
 k-point 21 :  -0.2941 0.0588 0.0000  plane waves:     500
 k-point 22 :  -0.2353 0.0588 0.0000  plane waves:     501
 k-point 23 :  -0.1765 0.0588 0.0000  plane waves:     505
 k-point 24 :  -0.1176 0.0588 0.0000  plane waves:     513
 k-point 25 :  -0.0588 0.0588 0.0000  plane waves:     525
 k-point 26 :   0.1176 0.1176 0.0000  plane waves:     516
 k-point 27 :   0.1765 0.1176 0.0000  plane waves:     511
 k-point 28 :   0.2353 0.1176 0.0000  plane waves:     508
 k-point 29 :   0.2941 0.1176 0.0000  plane waves:     501
 k-point 30 :   0.3529 0.1176 0.0000  plane waves:     504
 k-point 31 :   0.4118 0.1176 0.0000  plane waves:     500
 k-point 32 :   0.4706 0.1176 0.0000  plane waves:     496
 k-point 33 :  -0.4706 0.1176 0.0000  plane waves:     495
 k-point 34 :  -0.4118 0.1176 0.0000  plane waves:     499
 k-point 35 :  -0.3529 0.1176 0.0000  plane waves:     501
 k-point 36 :  -0.2941 0.1176 0.0000  plane waves:     503
 k-point 37 :  -0.2353 0.1176 0.0000  plane waves:     501
 k-point 38 :  -0.1765 0.1176 0.0000  plane waves:     503
 k-point 39 :  -0.1176 0.1176 0.0000  plane waves:     507
 k-point 40 :   0.1765 0.1765 0.0000  plane waves:     504
 k-point 41 :   0.2353 0.1765 0.0000  plane waves:     504
 k-point 42 :   0.2941 0.1765 0.0000  plane waves:     501
 k-point 43 :   0.3529 0.1765 0.0000  plane waves:     503
 k-point 44 :   0.4118 0.1765 0.0000  plane waves:     503
 k-point 45 :   0.4706 0.1765 0.0000  plane waves:     500
 k-point 46 :  -0.4706 0.1765 0.0000  plane waves:     492
 k-point 47 :  -0.4118 0.1765 0.0000  plane waves:     494
 k-point 48 :  -0.3529 0.1765 0.0000  plane waves:     504
 k-point 49 :  -0.2941 0.1765 0.0000  plane waves:     502
 k-point 50 :  -0.2353 0.1765 0.0000  plane waves:     503
 k-point 51 :  -0.1765 0.1765 0.0000  plane waves:     503
 k-point 52 :   0.2353 0.2353 0.0000  plane waves:     504
 k-point 53 :   0.2941 0.2353 0.0000  plane waves:     498
 k-point 54 :   0.3529 0.2353 0.0000  plane waves:     496
 k-point 55 :   0.4118 0.2353 0.0000  plane waves:     500
 k-point 56 :   0.4706 0.2353 0.0000  plane waves:     496
 k-point 57 :  -0.4706 0.2353 0.0000  plane waves:     498
 k-point 58 :  -0.4118 0.2353 0.0000  plane waves:     502
 k-point 59 :  -0.3529 0.2353 0.0000  plane waves:     503
 k-point 60 :  -0.2941 0.2353 0.0000  plane waves:     501
 k-point 61 :  -0.2353 0.2353 0.0000  plane waves:     501
 k-point 62 :   0.2941 0.2941 0.0000  plane waves:     496
 k-point 63 :   0.3529 0.2941 0.0000  plane waves:     497
 k-point 64 :   0.4118 0.2941 0.0000  plane waves:     495
 k-point 65 :   0.4706 0.2941 0.0000  plane waves:     493
 k-point 66 :  -0.4706 0.2941 0.0000  plane waves:     489
 k-point 67 :  -0.4118 0.2941 0.0000  plane waves:     499
 k-point 68 :  -0.3529 0.2941 0.0000  plane waves:     500
 k-point 69 :  -0.2941 0.2941 0.0000  plane waves:     498
 k-point 70 :   0.3529 0.3529 0.0000  plane waves:     492
 k-point 71 :   0.4118 0.3529 0.0000  plane waves:     492
 k-point 72 :   0.4706 0.3529 0.0000  plane waves:     492
 k-point 73 :  -0.4706 0.3529 0.0000  plane waves:     485
 k-point 74 :  -0.4118 0.3529 0.0000  plane waves:     496
 k-point 75 :  -0.3529 0.3529 0.0000  plane waves:     502
 k-point 76 :   0.4118 0.4118 0.0000  plane waves:     488
 k-point 77 :   0.4706 0.4118 0.0000  plane waves:     486
 k-point 78 :  -0.4706 0.4118 0.0000  plane waves:     490
 k-point 79 :  -0.4118 0.4118 0.0000  plane waves:     494
 k-point 80 :   0.4706 0.4706 0.0000  plane waves:     480
 k-point 81 :  -0.4706 0.4706 0.0000  plane waves:     484
 k-point 82 :   0.1765 0.1176 0.0588  plane waves:     514
 k-point 83 :   0.2353 0.1176 0.0588  plane waves:     508
 k-point 84 :   0.2941 0.1176 0.0588  plane waves:     501
 k-point 85 :   0.3529 0.1176 0.0588  plane waves:     503
 k-point 86 :   0.4118 0.1176 0.0588  plane waves:     502
 k-point 87 :   0.4706 0.1176 0.0588  plane waves:     497
 k-point 88 :  -0.4706 0.1176 0.0588  plane waves:     495
 k-point 89 :   0.2353 0.1765 0.0588  plane waves:     504
 k-point 90 :   0.2941 0.1765 0.0588  plane waves:     502
 k-point 91 :   0.3529 0.1765 0.0588  plane waves:     504
 k-point 92 :   0.4118 0.1765 0.0588  plane waves:     502
 k-point 93 :   0.4706 0.1765 0.0588  plane waves:     503
 k-point 94 :  -0.4706 0.1765 0.0588  plane waves:     499
 k-point 95 :  -0.4118 0.1765 0.0588  plane waves:     496
 k-point 96 :  -0.3529 0.1765 0.0588  plane waves:     503
 k-point 97 :  -0.2941 0.1765 0.0588  plane waves:     502
 k-point 98 :  -0.2353 0.1765 0.0588  plane waves:     504
 k-point 99 :  -0.1765 0.1765 0.0588  plane waves:     499
 k-point ** :  -0.1176 0.1765 0.0588  plane waves:     503
 k-point ** :   0.2941 0.2353 0.0588  plane waves:     503
 k-point ** :   0.3529 0.2353 0.0588  plane waves:     499
 k-point ** :   0.4118 0.2353 0.0588  plane waves:     502
 k-point ** :   0.4706 0.2353 0.0588  plane waves:     497
 k-point ** :  -0.4706 0.2353 0.0588  plane waves:     496
 k-point ** :  -0.4118 0.2353 0.0588  plane waves:     494
 k-point ** :  -0.3529 0.2353 0.0588  plane waves:     495
 k-point ** :  -0.2941 0.2353 0.0588  plane waves:     500
 k-point ** :  -0.2353 0.2353 0.0588  plane waves:     497
 k-point ** :  -0.1765 0.2353 0.0588  plane waves:     503
 k-point ** :   0.3529 0.2941 0.0588  plane waves:     498
 k-point ** :   0.4118 0.2941 0.0588  plane waves:     495
 k-point ** :   0.4706 0.2941 0.0588  plane waves:     496
 k-point ** :  -0.4706 0.2941 0.0588  plane waves:     497
 k-point ** :  -0.4118 0.2941 0.0588  plane waves:     498
 k-point ** :  -0.3529 0.2941 0.0588  plane waves:     501
 k-point ** :  -0.2941 0.2941 0.0588  plane waves:     501
 k-point ** :  -0.2353 0.2941 0.0588  plane waves:     498
 k-point ** :   0.4118 0.3529 0.0588  plane waves:     491
 k-point ** :   0.4706 0.3529 0.0588  plane waves:     494
 k-point ** :  -0.4706 0.3529 0.0588  plane waves:     489
 k-point ** :  -0.4118 0.3529 0.0588  plane waves:     493
 k-point ** :  -0.3529 0.3529 0.0588  plane waves:     497
 k-point ** :  -0.2941 0.3529 0.0588  plane waves:     499
 k-point ** :   0.4706 0.4118 0.0588  plane waves:     490
 k-point ** :  -0.4706 0.4118 0.0588  plane waves:     490
 k-point ** :  -0.4118 0.4118 0.0588  plane waves:     489
 k-point ** :  -0.3529 0.4118 0.0588  plane waves:     495
 k-point ** :  -0.4706 0.4706 0.0588  plane waves:     486
 k-point ** :  -0.4118 0.4706 0.0588  plane waves:     490
 k-point ** :   0.3529 0.2353 0.1176  plane waves:     498
 k-point ** :   0.4118 0.2353 0.1176  plane waves:     499
 k-point ** :   0.4706 0.2353 0.1176  plane waves:     500
 k-point ** :  -0.4706 0.2353 0.1176  plane waves:     497
 k-point ** :  -0.4118 0.2353 0.1176  plane waves:     495
 k-point ** :   0.4118 0.2941 0.1176  plane waves:     502
 k-point ** :   0.4706 0.2941 0.1176  plane waves:     497
 k-point ** :  -0.4706 0.2941 0.1176  plane waves:     497
 k-point ** :  -0.4118 0.2941 0.1176  plane waves:     491
 k-point ** :  -0.3529 0.2941 0.1176  plane waves:     494
 k-point ** :  -0.2941 0.2941 0.1176  plane waves:     497
 k-point ** :  -0.2353 0.2941 0.1176  plane waves:     499
 k-point ** :  -0.1765 0.2941 0.1176  plane waves:     502
 k-point ** :   0.4706 0.3529 0.1176  plane waves:     489
 k-point ** :  -0.4706 0.3529 0.1176  plane waves:     496
 k-point ** :  -0.4118 0.3529 0.1176  plane waves:     496
 k-point ** :  -0.3529 0.3529 0.1176  plane waves:     497
 k-point ** :  -0.2941 0.3529 0.1176  plane waves:     499
 k-point ** :  -0.2353 0.3529 0.1176  plane waves:     497
 k-point ** :  -0.4706 0.4118 0.1176  plane waves:     493
 k-point ** :  -0.4118 0.4118 0.1176  plane waves:     496
 k-point ** :  -0.3529 0.4118 0.1176  plane waves:     492
 k-point ** :  -0.2941 0.4118 0.1176  plane waves:     497
 k-point ** :  -0.4118 0.4706 0.1176  plane waves:     492
 k-point ** :  -0.3529 0.4706 0.1176  plane waves:     492
 k-point ** :  -0.4706 0.3529 0.1765  plane waves:     499
 k-point ** :  -0.4118 0.3529 0.1765  plane waves:     496
 k-point ** :  -0.3529 0.3529 0.1765  plane waves:     497
 k-point ** :  -0.4118 0.4118 0.1765  plane waves:     497
 k-point ** :  -0.3529 0.4118 0.1765  plane waves:     496
 k-point ** :  -0.2941 0.4118 0.1765  plane waves:     500
 k-point ** :  -0.2353 0.4118 0.1765  plane waves:     493
 k-point ** :  -0.3529 0.4706 0.1765  plane waves:     498
 k-point ** :  -0.2941 0.4706 0.1765  plane waves:     501
 k-point ** :  -0.2941 0.4706 0.2353  plane waves:     497

 maximum and minimum number of plane-waves per node :       531      480

 maximum number of plane-waves:       531
 maximum index in each direction: 
   IXMAX=    5   IYMAX=    5   IZMAX=    5
   IXMIN=   -5   IYMIN=   -5   IZMIN=   -5


 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    44825. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5634. kBytes
   fftplans  :       2161. kBytes
   grid      :       1238. kBytes
   one-center:          6. kBytes
   wavefun   :       5786. kBytes

     INWAV:  cpu time    0.0040: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 30   NGY  = 30   NGZ  = 30)
  gives a total of   1331 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron       8.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        10758 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.515
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.0000: real time    0.0006


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


    POTLOK:  cpu time    0.0160: real time    0.0179
    SETDIJ:  cpu time    0.0120: real time    0.0130
     EDDAV:  cpu time    1.3920: real time    1.3976
       DOS:  cpu time    0.0000: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time    1.4200: real time    1.4307

 eigenvalue-minimisations  :  2656
 total energy-change (2. order) : 0.2067007E+01  (-0.2473490E+03)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -11.30989391
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.68166516
  PAW double counting   =       176.24759923     -141.06103558
  entropy T*S    EENTRO =        -0.00001982
  eigenvalues    EBANDS =        14.45783520
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =         2.06700710 eV

  energy without entropy =        2.06702692  energy(sigma->0) =        2.06701701


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




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


     EDDAV:  cpu time    2.1680: real time    2.1735
       DOS:  cpu time    0.0000: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    2.1680: real time    2.1738

 eigenvalue-minimisations  :  4080
 total energy-change (2. order) :-0.1291397E+02  (-0.1240490E+02)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -11.30989391
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.68166516
  PAW double counting   =       176.24759923     -141.06103558
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         1.54384041
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84696788 eV

  energy without entropy =      -10.84696788  energy(sigma->0) =      -10.84696788


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




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


     EDDAV:  cpu time    1.9280: real time    1.9458
       DOS:  cpu time    0.0000: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.9280: real time    1.9461

 eigenvalue-minimisations  :  3280
 total energy-change (2. order) :-0.1653769E+00  (-0.1653769E+00)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -11.30989391
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.68166516
  PAW double counting   =       176.24759923     -141.06103558
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         1.37846346
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.01234483 eV

  energy without entropy =      -11.01234483  energy(sigma->0) =      -11.01234483


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




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


     EDDAV:  cpu time    2.1160: real time    2.1179
       DOS:  cpu time    0.0000: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    2.1160: real time    2.1182

 eigenvalue-minimisations  :  4368
 total energy-change (2. order) :-0.6353292E-03  (-0.6353292E-03)
 number of electron       8.0000000 magnetization 
 augmentation part        8.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -11.30989391
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.68166516
  PAW double counting   =       176.24759923     -141.06103558
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         1.37782813
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.01298016 eV

  energy without entropy =      -11.01298016  energy(sigma->0) =      -11.01298016


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




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


     EDDAV:  cpu time    1.8040: real time    1.8043
       DOS:  cpu time    0.0040: real time    0.0004
    CHARGE:  cpu time    0.1000: real time    0.1015
    MIXING:  cpu time    0.0000: real time    0.0007
    --------------------------------------------
      LOOP:  cpu time    1.9080: real time    1.9069

 eigenvalue-minimisations  :  3224
 total energy-change (2. order) :-0.5115213E-06  (-0.5115211E-06)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4694756 magnetization 

 Broyden mixing:
  rms(total) = 0.48542E+00    rms(broyden)= 0.48542E+00
  rms(prec ) = 0.93567E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -11.30989391
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.68166516
  PAW double counting   =       176.24759923     -141.06103558
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         1.37782762
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.01298067 eV

  energy without entropy =      -11.01298067  energy(sigma->0) =      -11.01298067


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




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


    POTLOK:  cpu time    0.0080: real time    0.0091
    SETDIJ:  cpu time    0.0040: real time    0.0065
     EDDAV:  cpu time    1.5600: real time    1.5588
       DOS:  cpu time    0.0000: real time    0.0004
    CHARGE:  cpu time    0.0960: real time    0.0941
    MIXING:  cpu time    0.0000: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time    1.6680: real time    1.6711

 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.1159482E+00  (-0.7559649E-02)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4639097 magnetization 

 Broyden mixing:
  rms(total) = 0.29676E+00    rms(broyden)= 0.29676E+00
  rms(prec ) = 0.55755E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.5645
  2.5645

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -12.77332850
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.44986066
  PAW double counting   =       379.27245157     -344.18937351
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         2.82889152
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.89703244 eV

  energy without entropy =      -10.89703244  energy(sigma->0) =      -10.89703244


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




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


    POTLOK:  cpu time    0.0080: real time    0.0093
    SETDIJ:  cpu time    0.0080: real time    0.0065
     EDDAV:  cpu time    1.8280: real time    1.8274
       DOS:  cpu time    0.0000: real time    0.0004
    CHARGE:  cpu time    0.1040: real time    0.1053
    MIXING:  cpu time    0.0000: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.9480: real time    1.9491

 eigenvalue-minimisations  :  3336
 total energy-change (2. order) : 0.5361062E-01  (-0.1453676E-01)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4571400 magnetization 

 Broyden mixing:
  rms(total) = 0.17609E-01    rms(broyden)= 0.17609E-01
  rms(prec ) = 0.40129E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.0617
  1.7376  2.3857

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -15.17714931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.06186940
  PAW double counting   =       865.76541234     -830.81615894
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         5.03215636
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84342182 eV

  energy without entropy =      -10.84342182  energy(sigma->0) =      -10.84342182


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




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


    POTLOK:  cpu time    0.0080: real time    0.0088
    SETDIJ:  cpu time    0.0080: real time    0.0066
     EDDAV:  cpu time    1.6200: real time    1.6206
       DOS:  cpu time    0.0000: real time    0.0003
    CHARGE:  cpu time    0.0960: real time    0.0931
    MIXING:  cpu time    0.0000: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    1.7320: real time    1.7298

 eigenvalue-minimisations  :  3024
 total energy-change (2. order) :-0.1066859E-02  (-0.3674311E-03)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4580815 magnetization 

 Broyden mixing:
  rms(total) = 0.73477E-02    rms(broyden)= 0.73475E-02
  rms(prec ) = 0.13122E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.2621
  2.8733  1.9564  1.9564

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -15.10586833
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.06243510
  PAW double counting   =       872.46472165     -837.48919108
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         4.93409705
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84448868 eV

  energy without entropy =      -10.84448868  energy(sigma->0) =      -10.84448868


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




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


    POTLOK:  cpu time    0.0080: real time    0.0094
    SETDIJ:  cpu time    0.0080: real time    0.0064
     EDDAV:  cpu time    1.8960: real time    1.8997
       DOS:  cpu time    0.0040: real time    0.0005
    CHARGE:  cpu time    0.0960: real time    0.0970
    MIXING:  cpu time    0.0000: real time    0.0004
    --------------------------------------------
      LOOP:  cpu time    2.0120: real time    2.0133

 eigenvalue-minimisations  :  3856
 total energy-change (2. order) :-0.1973464E-03  (-0.1942595E-04)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4581976 magnetization 

 Broyden mixing:
  rms(total) = 0.55817E-02    rms(broyden)= 0.55817E-02
  rms(prec ) = 0.64437E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1032
  0.9359  2.4995  2.4995  2.4780

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -15.14976585
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05395539
  PAW double counting   =       874.76411518     -839.78611815
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         4.96685105
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84468603 eV

  energy without entropy =      -10.84468603  energy(sigma->0) =      -10.84468603


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




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


    POTLOK:  cpu time    0.0080: real time    0.0089
    SETDIJ:  cpu time    0.0080: real time    0.0070
     EDDAV:  cpu time    1.0320: real time    1.0320
       DOS:  cpu time    0.0000: real time    0.0003
    --------------------------------------------
      LOOP:  cpu time    1.0480: real time    1.0482

 eigenvalue-minimisations  :  1680
 total energy-change (2. order) :-0.2483642E-04  (-0.2829174E-05)
 number of electron       8.0000001 magnetization 
 augmentation part       -0.4581976 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =         3.29610127
  Ewald energy   TEWEN  =      -227.01197892
  -Hartree energ DENC   =       -15.15732835
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -18.05374449
  PAW double counting   =       863.44808547     -828.47005679
  entropy T*S    EENTRO =        -0.00000000
  eigenvalues    EBANDS =         4.97414617
  atomic energy  EATOM  =       206.13006478
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.84471086 eV

  energy without entropy =      -10.84471086  energy(sigma->0) =      -10.84471086


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




 average (electrostatic) potential at core
  the test charge radii are     0.9892
  (the norm of the test charge is              1.0000)
       1 -83.4732       2 -83.4731



 E-fermi :   5.7176     XC(G=0):  -9.3315     alpha+bet :-11.7421


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1962      2.00000
      2       5.6258      2.00000
      3       5.6258      2.00000
      4       5.6258      2.00000
      5       8.1852      0.00000
      6       8.1852      0.00000
      7       8.1852      0.00000
      8       8.7682      0.00000

 k-point     2 :       0.0588    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.1516      2.00000
      2       5.1476      2.00000
      3       5.5522      2.00000
      4       5.5522      2.00000
      5       8.2282      0.00000
      6       8.2933      0.00000
      7       8.2933      0.00000
      8       9.1272      0.00000

 k-point     3 :       0.1176    0.0000    0.0000
  band No.  band energies     occupation 
      1      -6.0183      2.00000
      2       4.1688      2.00000
      3       5.3702      2.00000
      4       5.3702      2.00000
      5       8.0986      0.00000
      6       8.5628      0.00000
      7       8.5628      0.00000
      8      10.0382      0.00000

 k-point     4 :       0.1765    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.7988      2.00000
      2       3.0791      2.00000
      3       5.1472      2.00000
      4       5.1472      2.00000
      5       7.8773      0.00000
      6       8.8704      0.00000
      7       8.8704      0.00000
      8      11.0894      0.00000

 k-point     5 :       0.2353    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.4976      2.00000
      2       1.9997      2.00000
      3       4.9304      2.00000
      4       4.9304      2.00000
      5       7.6454      0.00000
      6       9.0901      0.00000
      7       9.0901      0.00000
      8      12.1351      0.00000

 k-point     6 :       0.2941    0.0000    0.0000
  band No.  band energies     occupation 
      1      -5.1244      2.00000
      2       0.9804      2.00000
      3       4.7445      2.00000
      4       4.7445      2.00000
      5       7.4384      0.00000
      6       9.1583      0.00000
      7       9.1583      0.00000
      8      13.0595      0.00000

 k-point     7 :       0.3529    0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.6995      2.00000
      2       0.0604      2.00000
      3       4.5999      2.00000
      4       4.5999      2.00000
      5       7.2744      0.00000
      6       9.1142      0.00000
      7       9.1142      0.00000
      8      13.4673      0.00000

 k-point     8 :       0.4118    0.0000    0.0000
  band No.  band energies     occupation 
      1      -4.2717      2.00000
      2      -0.7016      2.00000
      3       4.5020      2.00000
      4       4.5020      2.00000
      5       7.1619      0.00000
      6       9.0382      0.00000
      7       9.0382      0.00000
      8      13.4147      0.00000

 k-point     9 :       0.4706    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.9619      2.00000
      2      -1.1796      2.00000
      3       4.4528      2.00000
      4       4.4528      2.00000
      5       7.1055      0.00000
      6       8.9883      0.00000
      7       8.9883      0.00000
      8      13.3409      0.00000

 k-point    10 :       0.0588    0.0588    0.0000
  band No.  band energies     occupation 
      1      -6.1367      2.00000
      2       5.2386      2.00000
      3       5.3963      2.00000
      4       5.3963      2.00000
      5       8.0439      0.00000
      6       8.4881      0.00000
      7       8.4881      0.00000
      8       9.1401      0.00000

 k-point    11 :       0.1176    0.0588    0.0000
  band No.  band energies     occupation 
      1      -6.0328      2.00000
      2       4.4560      2.00000
      3       5.1660      2.00000
      4       5.3158      2.00000
      5       8.0370      0.00000
      6       8.5623      0.00000
      7       8.8176      0.00000
      8       9.8095      0.00000

 k-point    12 :       0.1765    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.8418      2.00000
      2       3.4188      2.00000
      3       4.9232      2.00000
      4       5.1453      2.00000
      5       8.1042      0.00000
      6       8.5561      0.00000
      7       9.1702      0.00000
      8      10.6906      0.00000

 k-point    13 :       0.2353    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.5672      2.00000
      2       2.3490      2.00000
      3       4.7056      2.00000
      4       4.9160      2.00000
      5       7.9802      0.00000
      6       8.7436      0.00000
      7       9.4280      0.00000
      8      11.3154      0.00000

 k-point    14 :       0.2941    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.2167      2.00000
      2       1.3171      2.00000
      3       4.5324      2.00000
      4       4.6823      2.00000
      5       7.7927      0.00000
      6       8.8980      0.00000
      7       9.5136      0.00000
      8      11.7596      0.00000

 k-point    15 :       0.3529    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.8057      2.00000
      2       0.3664      2.00000
      3       4.4122      2.00000
      4       4.4721      2.00000
      5       7.6247      0.00000
      6       8.9312      0.00000
      7       9.4519      0.00000
      8      12.3605      0.00000

 k-point    16 :       0.4118    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.3701      2.00000
      2      -0.4535      2.00000
      3       4.2996      2.00000
      4       4.3483      2.00000
      5       7.4991      0.00000
      6       8.9092      0.00000
      7       9.3261      0.00000
      8      13.0568      0.00000

 k-point    17 :       0.4706    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.0004      2.00000
      2      -1.0450      2.00000
      3       4.1721      2.00000
      4       4.3407      2.00000
      5       7.4248      0.00000
      6       8.9016      0.00000
      7       9.2046      0.00000
      8      13.4318      0.00000

 k-point    18 :      -0.4706    0.0588    0.0000
  band No.  band energies     occupation 
      1      -3.8805      2.00000
      2      -1.2203      2.00000
      3       4.0949      2.00000
      4       4.3870      2.00000
      5       7.4048      0.00000
      6       8.9427      0.00000
      7       9.1231      0.00000
      8      13.4930      0.00000

 k-point    19 :      -0.4118    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.1071      2.00000
      2      -0.8823      2.00000
      3       4.0713      2.00000
      4       4.4841      2.00000
      5       7.4399      0.00000
      6       9.0378      0.00000
      7       9.0913      0.00000
      8      13.4948      0.00000

 k-point    20 :      -0.3529    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.5147      2.00000
      2      -0.1980      2.00000
      3       4.1049      2.00000
      4       4.6274      2.00000
      5       7.5296      0.00000
      6       9.0947      0.00000
      7       9.1697      0.00000
      8      13.2941      0.00000

 k-point    21 :      -0.2941    0.0588    0.0000
  band No.  band energies     occupation 
      1      -4.9483      2.00000
      2       0.6728      2.00000
      3       4.1974      2.00000
      4       4.8106      2.00000
      5       7.6709      0.00000
      6       9.0903      0.00000
      7       9.2898      0.00000
      8      12.7089      0.00000

 k-point    22 :      -0.2353    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.3416      2.00000
      2       1.6542      2.00000
      3       4.3492      2.00000
      4       5.0233      2.00000
      5       7.8566      0.00000
      6       9.0037      0.00000
      7       9.3089      0.00000
      8      12.0310      0.00000

 k-point    23 :      -0.1765    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.6679      2.00000
      2       2.7000      2.00000
      3       4.5582      2.00000
      4       5.2476      2.00000
      5       8.0707      0.00000
      6       8.7903      0.00000
      7       9.1349      0.00000
      8      11.3304      0.00000

 k-point    24 :      -0.1176    0.0588    0.0000
  band No.  band energies     occupation 
      1      -5.9152      2.00000
      2       3.7536      2.00000
      3       4.8228      2.00000
      4       5.4489      2.00000
      5       8.2808      0.00000
      6       8.5124      0.00000
      7       8.7866      0.00000
      8      10.5018      0.00000

 k-point    25 :      -0.0588    0.0588    0.0000
  band No.  band energies     occupation 
      1      -6.0773      2.00000
      2       4.6690      2.00000
      3       5.1662      2.00000
      4       5.5701      2.00000
      5       8.3079      0.00000
      6       8.3983      0.00000
      7       8.4195      0.00000
      8       9.6492      0.00000

 k-point    26 :       0.1176    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.9585      2.00000
      2       4.3936      2.00000
      3       4.9057      2.00000
      4       4.9057      2.00000
      5       7.6949      0.00000
      6       9.1984      0.00000
      7       9.1984      0.00000
      8       9.7981      0.00000

 k-point    27 :       0.1765    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.7963      2.00000
      2       3.6215      2.00000
      3       4.6464      2.00000
      4       4.7383      2.00000
      5       7.6488      0.00000
      6       9.2642      0.00000
      7       9.6072      0.00000
      8      10.2482      0.00000

 k-point    28 :       0.2353    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.5494      2.00000
      2       2.6415      2.00000
      3       4.4212      2.00000
      4       4.5212      2.00000
      5       7.8013      0.00000
      6       9.1711      0.00000
      7       9.9318      0.00000
      8      10.4480      0.00000

 k-point    29 :       0.2941    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.2234      2.00000
      2       1.6425      2.00000
      3       4.2477      2.00000
      4       4.2511      2.00000
      5       7.9136      0.00000
      6       9.1590      0.00000
      7      10.0760      0.00000
      8      10.5722      0.00000

 k-point    30 :       0.3529    0.1176    0.0000
  band No.  band energies     occupation 
      1      -4.8303      2.00000
      2       0.6909      2.00000
      3       3.9812      2.00000
      4       4.1343      2.00000
      5       7.8968      0.00000
      6       9.1512      0.00000
      7      10.0351      0.00000
      8      10.9954      0.00000

 k-point    31 :       0.4118    0.1176    0.0000
  band No.  band energies     occupation 
      1      -4.3966      2.00000
      2      -0.1614      2.00000
      3       3.7409      2.00000
      4       4.0841      2.00000
      5       7.8337      0.00000
      6       9.0991      0.00000
      7       9.8912      0.00000
      8      11.7295      0.00000

 k-point    32 :       0.4706    0.1176    0.0000
  band No.  band energies     occupation 
      1      -3.9882      2.00000
      2      -0.8355      2.00000
      3       3.5450      2.00000
      4       4.0976      2.00000
      5       7.7922      0.00000
      6       9.0561      0.00000
      7       9.7237      0.00000
      8      12.6291      0.00000

 k-point    33 :      -0.4706    0.1176    0.0000
  band No.  band energies     occupation 
      1      -3.7616      2.00000
      2      -1.1684      2.00000
      3       3.4033      2.00000
      4       4.1721      2.00000
      5       7.7978      0.00000
      6       9.0610      0.00000
      7       9.5793      0.00000
      8      13.5003      0.00000

 k-point    34 :      -0.4118    0.1176    0.0000
  band No.  band energies     occupation 
      1      -3.8844      2.00000
      2      -0.9902      2.00000
      3       3.3225      2.00000
      4       4.3035      2.00000
      5       7.8563      0.00000
      6       9.1265      0.00000
      7       9.4772      0.00000
      8      13.7579      0.00000

 k-point    35 :      -0.3529    0.1176    0.0000
  band No.  band energies     occupation 
      1      -4.2563      2.00000
      2      -0.4030      2.00000
      3       3.3085      2.00000
      4       4.4842      2.00000
      5       7.9640      0.00000
      6       9.2454      0.00000
      7       9.4099      0.00000
      8      13.1932      0.00000

 k-point    36 :      -0.2941    0.1176    0.0000
  band No.  band energies     occupation 
      1      -4.6920      2.00000
      2       0.4015      2.00000
      3       3.3675      2.00000
      4       4.7042      2.00000
      5       8.1136      0.00000
      6       9.3411      0.00000
      7       9.3810      0.00000
      8      12.4131      0.00000

 k-point    37 :      -0.2353    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.1021      2.00000
      2       1.3179      2.00000
      3       3.5084      2.00000
      4       4.9470      2.00000
      5       8.2938      0.00000
      6       9.2028      0.00000
      7       9.4353      0.00000
      8      11.7301      0.00000

 k-point    38 :      -0.1765    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.4515      2.00000
      2       2.2718      2.00000
      3       3.7536      2.00000
      4       5.1852      2.00000
      5       8.4816      0.00000
      6       8.9550      0.00000
      7       9.2554      0.00000
      8      11.2972      0.00000

 k-point    39 :      -0.1176    0.1176    0.0000
  band No.  band energies     occupation 
      1      -5.7250      2.00000
      2       3.1395      2.00000
      3       4.1717      2.00000
      4       5.3736      2.00000
      5       8.5859      0.00000
      6       8.6760      0.00000
      7       8.8875      0.00000
      8      10.9825      0.00000

 k-point    40 :       0.1765    0.1765    0.0000
  band No.  band energies     occupation 
      1      -5.6630      2.00000
      2       3.4028      2.00000
      3       4.3731      2.00000
      4       4.3731      2.00000
      5       7.2712      0.00000
      6       9.7611      0.00000
      7      10.0906      0.00000
      8      10.0906      0.00000

 k-point    41 :       0.2353    0.1765    0.0000
  band No.  band energies     occupation 
      1      -5.4440      2.00000
      2       2.7092      2.00000
      3       4.1277      2.00000
      4       4.1362      2.00000
      5       7.2327      0.00000
      6       9.4588      0.00000
      7      10.3867      0.00000
      8      10.5128      0.00000

 k-point    42 :       0.2941    0.1765    0.0000
  band No.  band energies     occupation 
      1      -5.1439      2.00000
      2       1.8461      2.00000
      3       3.8209      2.00000
      4       3.9537      2.00000
      5       7.4088      0.00000
      6       9.3707      0.00000
      7      10.3454      0.00000
      8      10.7588      0.00000

 k-point    43 :       0.3529    0.1765    0.0000
  band No.  band energies     occupation 
      1      -4.7718      2.00000
      2       0.9577      2.00000
      3       3.4833      2.00000
      4       3.8344      2.00000
      5       7.5469      0.00000
      6       9.6614      0.00000
      7      10.2025      0.00000
      8      10.7824      0.00000

 k-point    44 :       0.4118    0.1765    0.0000
  band No.  band energies     occupation 
      1      -4.3471      2.00000
      2       0.1183      2.00000
      3       3.1665      2.00000
      4       3.7827      2.00000
      5       7.5800      0.00000
      6      10.0085      0.00000
      7      10.3708      0.00000
      8      10.6535      0.00000

 k-point    45 :       0.4706    0.1765    0.0000
  band No.  band energies     occupation 
      1      -3.9176      2.00000
      2      -0.5972      2.00000
      3       2.8971      2.00000
      4       3.7993      2.00000
      5       7.5953      0.00000
      6       9.9021      0.00000
      7      10.4664      0.00000
      8      11.2615      0.00000

 k-point    46 :      -0.4706    0.1765    0.0000
  band No.  band energies     occupation 
      1      -3.6057      2.00000
      2      -1.0519      2.00000
      3       2.6895      2.00000
      4       3.8827      2.00000
      5       7.6544      0.00000
      6       9.8268      0.00000
      7      10.2829      0.00000
      8      12.3080      0.00000

 k-point    47 :      -0.4118    0.1765    0.0000
  band No.  band energies     occupation 
      1      -3.6128      2.00000
      2      -1.0396      2.00000
      3       2.5536      2.00000
      4       4.0282      2.00000
      5       7.7753      0.00000
      6       9.8015      0.00000
      7      10.1273      0.00000
      8      13.4241      0.00000

 k-point    48 :      -0.3529    0.1765    0.0000
  band No.  band energies     occupation 
      1      -3.9321      2.00000
      2      -0.5690      2.00000
      3       2.4992      2.00000
      4       4.2285      2.00000
      5       7.9559      0.00000
      6       9.8259      0.00000
      7       9.9984      0.00000
      8      13.1245      0.00000

 k-point    49 :      -0.2941    0.1765    0.0000
  band No.  band energies     occupation 
      1      -4.3620      2.00000
      2       0.1453      2.00000
      3       2.5416      2.00000
      4       4.4718      2.00000
      5       8.1806      0.00000
      6       9.8572      0.00000
      7       9.8765      0.00000
      8      12.2162      0.00000

 k-point    50 :      -0.2353    0.1765    0.0000
  band No.  band energies     occupation 
      1      -4.7846      2.00000
      2       0.9478      2.00000
      3       2.7131      2.00000
      4       4.7378      2.00000
      5       8.4154      0.00000
      6       9.6273      0.00000
      7       9.8531      0.00000
      8      11.5030      0.00000

 k-point    51 :      -0.1765    0.1765    0.0000
  band No.  band energies     occupation 
      1      -5.1541      2.00000
      2       1.7004      2.00000
      3       3.0917      2.00000
      4       4.9934      2.00000
      5       8.5872      0.00000
      6       9.2859      0.00000
      7       9.5718      0.00000
      8      11.2276      0.00000

 k-point    52 :       0.2353    0.2353    0.0000
  band No.  band energies     occupation 
      1      -5.2527      2.00000
      2       2.3679      2.00000
      3       3.8858      2.00000
      4       3.8858      2.00000
      5       6.8692      0.00000
      6       8.9808      0.00000
      7      11.0711      0.00000
      8      11.0711      0.00000

 k-point    53 :       0.2941    0.2353    0.0000
  band No.  band energies     occupation 
      1      -4.9790      2.00000
      2       1.7445      2.00000
      3       3.5989      2.00000
      4       3.6895      2.00000
      5       6.8646      0.00000
      6       8.6593      0.00000
      7      11.3349      0.00000
      8      11.4762      0.00000

 k-point    54 :       0.3529    0.2353    0.0000
  band No.  band energies     occupation 
      1      -4.6299      2.00000
      2       1.0139      2.00000
      3       3.1990      2.00000
      4       3.5576      2.00000
      5       7.0551      0.00000
      6       8.6630      0.00000
      7      11.2963      0.00000
      8      11.6246      0.00000

 k-point    55 :       0.4118    0.2353    0.0000
  band No.  band energies     occupation 
      1      -4.2196      2.00000
      2       0.2658      2.00000
      3       2.7802      2.00000
      4       3.4950      2.00000
      5       7.1765      0.00000
      6       9.1155      0.00000
      7      11.1668      0.00000
      8      11.5510      0.00000

 k-point    56 :       0.4706    0.2353    0.0000
  band No.  band energies     occupation 
      1      -3.7823      2.00000
      2      -0.4254      2.00000
      3       2.4092      2.00000
      4       3.5037      2.00000
      5       7.2285      0.00000
      6       9.9135      0.00000
      7      11.0386      0.00000
      8      11.3709      0.00000

 k-point    57 :      -0.4706    0.2353    0.0000
  band No.  band energies     occupation 
      1      -3.4094      2.00000
      2      -0.9443      2.00000
      3       2.1152      2.00000
      4       3.5823      2.00000
      5       7.3054      0.00000
      6      10.7602      0.00000
      7      11.0900      0.00000
      8      11.1647      0.00000

 k-point    58 :      -0.4118    0.2353    0.0000
  band No.  band energies     occupation 
      1      -3.3023      2.00000
      2      -1.0789      2.00000
      3       1.9142      2.00000
      4       3.7277      2.00000
      5       7.4468      0.00000
      6      10.7997      0.00000
      7      10.9695      0.00000
      8      12.1083      0.00000

 k-point    59 :      -0.3529    0.2353    0.0000
  band No.  band energies     occupation 
      1      -3.5543      2.00000
      2      -0.7400      2.00000
      3       1.8239      2.00000
      4       3.9325      2.00000
      5       7.6576      0.00000
      6      10.7683      0.00000
      7      10.7795      0.00000
      8      13.0205      0.00000

 k-point    60 :      -0.2941    0.2353    0.0000
  band No.  band energies     occupation 
      1      -3.9703      2.00000
      2      -0.1522      2.00000
      3       1.8783      2.00000
      4       4.1852      2.00000
      5       7.9244      0.00000
      6      10.5341      0.00000
      7      10.7271      0.00000
      8      12.1209      0.00000

 k-point    61 :      -0.2353    0.2353    0.0000
  band No.  band energies     occupation 
      1      -4.3997      2.00000
      2       0.4594      2.00000
      3       2.1493      2.00000
      4       4.4651      2.00000
      5       8.2095      0.00000
      6      10.1336      0.00000
      7      10.4620      0.00000
      8      11.5252      0.00000

 k-point    62 :       0.2941    0.2941    0.0000
  band No.  band energies     occupation 
      1      -4.7314      2.00000
      2       1.3248      2.00000
      3       3.4773      2.00000
      4       3.4773      2.00000
      5       6.5438      0.00000
      6       8.1424      0.00000
      7      12.1035      0.00000
      8      12.1035      0.00000

 k-point    63 :       0.3529    0.2941    0.0000
  band No.  band energies     occupation 
      1      -4.4062      2.00000
      2       0.7542      2.00000
      3       3.1816      2.00000
      4       3.3290      2.00000
      5       6.5856      0.00000
      6       7.8942      0.00000
      7      12.3829      0.00000
      8      12.4727      0.00000

 k-point    64 :       0.4118    0.2941    0.0000
  band No.  band energies     occupation 
      1      -4.0138      2.00000
      2       0.1383      2.00000
      3       2.7206      2.00000
      4       3.2507      2.00000
      5       6.7776      0.00000
      6       8.0518      0.00000
      7      12.3608      0.00000
      8      12.5276      0.00000

 k-point    65 :       0.4706    0.2941    0.0000
  band No.  band energies     occupation 
      1      -3.5785      2.00000
      2      -0.4645      2.00000
      3       2.2387      2.00000
      4       3.2448      2.00000
      5       6.8788      0.00000
      6       8.6878      0.00000
      7      12.2463      0.00000
      8      12.3893      0.00000

 k-point    66 :      -0.4706    0.2941    0.0000
  band No.  band energies     occupation 
      1      -3.1664      2.00000
      2      -0.9741      2.00000
      3       1.8286      2.00000
      4       3.3113      2.00000
      5       6.9645      0.00000
      6       9.6174      0.00000
      7      12.1248      0.00000
      8      12.1792      0.00000

 k-point    67 :      -0.4118    0.2941    0.0000
  band No.  band energies     occupation 
      1      -2.9611      2.00000
      2      -1.2041      2.00000
      3       1.5380      2.00000
      4       3.4473      2.00000
      5       7.1076      0.00000
      6      10.6930      0.00000
      7      11.9467      0.00000
      8      12.0415      0.00000

 k-point    68 :      -0.3529    0.2941    0.0000
  band No.  band energies     occupation 
      1      -3.1449      2.00000
      2      -0.9877      2.00000
      3       1.4068      2.00000
      4       3.6470      2.00000
      5       7.3260      0.00000
      6      11.6247      0.00000
      7      11.6681      0.00000
      8      12.2131      0.00000

 k-point    69 :      -0.2941    0.2941    0.0000
  band No.  band energies     occupation 
      1      -3.5422      2.00000
      2      -0.5517      2.00000
      3       1.4958      2.00000
      4       3.8993      2.00000
      5       7.6088      0.00000
      6      11.2093      0.00000
      7      11.5363      0.00000
      8      12.2682      0.00000

 k-point    70 :       0.3529    0.3529    0.0000
  band No.  band energies     occupation 
      1      -4.1041      2.00000
      2       0.2923      2.00000
      3       3.1626      2.00000
      4       3.1627      2.00000
      5       6.3267      0.00000
      6       7.4291      0.00000
      7      13.1704      0.00000
      8      13.1704      0.00000

 k-point    71 :       0.4118    0.3529    0.0000
  band No.  band energies     occupation 
      1      -3.7316      2.00000
      2      -0.2353      2.00000
      3       2.8824      2.00000
      4       3.0659      2.00000
      5       6.4196      0.00000
      6       7.2837      0.00000
      7      13.4681      0.00000
      8      13.4986      0.00000

 k-point    72 :       0.4706    0.3529    0.0000
  band No.  band energies     occupation 
      1      -3.3051      2.00000
      2      -0.7609      2.00000
      3       2.4044      2.00000
      4       3.0421      2.00000
      5       6.5913      0.00000
      6       7.6289      0.00000
      7      13.4620      0.00000
      8      13.4749      0.00000

 k-point    73 :      -0.4706    0.3529    0.0000
  band No.  band energies     occupation 
      1      -2.8713      2.00000
      2      -1.2305      2.00000
      3       1.9082      2.00000
      4       3.0920      2.00000
      5       6.6884      0.00000
      6       8.4349      0.00000
      7      13.2828      0.00000
      8      13.3587      0.00000

 k-point    74 :      -0.4118    0.3529    0.0000
  band No.  band energies     occupation 
      1      -2.5994      2.00000
      2      -1.4923      2.00000
      3       1.5163      2.00000
      4       3.2134      2.00000
      5       6.8255      0.00000
      6       9.4716      0.00000
      7      12.9948      0.00000
      8      13.2387      0.00000

 k-point    75 :      -0.3529    0.3529    0.0000
  band No.  band energies     occupation 
      1      -2.7599      2.00000
      2      -1.3185      2.00000
      3       1.3191      2.00000
      4       3.4015      2.00000
      5       7.0392      0.00000
      6      10.6343      0.00000
      7      12.4924      0.00000
      8      13.0169      0.00000

 k-point    76 :       0.4118    0.4118    0.0000
  band No.  band energies     occupation 
      1      -3.3780      2.00000
      2      -0.7112      2.00000
      3       2.9496      2.00000
      4       2.9496      2.00000
      5       6.2382      0.00000
      6       6.8807      0.00000
      7      14.2600      0.00000
      8      14.2601      0.00000

 k-point    77 :       0.4706    0.4118    0.0000
  band No.  band energies     occupation 
      1      -2.9641      2.00000
      2      -1.1988      2.00000
      3       2.7027      2.00000
      4       2.9061      2.00000
      5       6.3758      0.00000
      6       6.8537      0.00000
      7      14.5373      0.00000
      8      14.5659      0.00000

 k-point    78 :      -0.4706    0.4118    0.0000
  band No.  band energies     occupation 
      1      -2.5214      2.00000
      2      -1.6465      2.00000
      3       2.2483      2.00000
      4       2.9369      2.00000
      5       6.4992      0.00000
      6       7.4133      0.00000
      7      14.4075      0.00000
      8      14.5697      0.00000

 k-point    79 :      -0.4118    0.4118    0.0000
  band No.  band energies     occupation 
      1      -2.2906      2.00000
      2      -1.8333      2.00000
      3       1.7986      2.00000
      4       3.0406      2.00000
      5       6.6226      0.00000
      6       8.3512      0.00000
      7      13.9295      0.00000
      8      14.4378      0.00000

 k-point    80 :       0.4706    0.4706    0.0000
  band No.  band energies     occupation 
      1      -2.5620      2.00000
      2      -1.6683      2.00000
      3       2.8422      2.00000
      4       2.8422      2.00000
      5       6.2936      0.00000
      6       6.5039      0.00000
      7      15.3033      0.00000
      8      15.3033      0.00000

 k-point    81 :      -0.4706    0.4706    0.0000
  band No.  band energies     occupation 
      1      -2.1377      2.00000
      2      -2.0917      2.00000
      3       2.6428      2.00000
      4       2.8526      2.00000
      5       6.4060      0.00000
      6       6.6648      0.00000
      7      15.2863      0.00000
      8      15.4038      0.00000

 k-point    82 :       0.1765    0.1176    0.0588
  band No.  band energies     occupation 
      1      -5.8999      2.00000
      2       3.8820      2.00000
      3       4.6723      2.00000
      4       5.2508      2.00000
      5       8.0132      0.00000
      6       8.7926      0.00000
      7       9.0848      0.00000
      8      10.3442      0.00000

 k-point    83 :       0.2353    0.1176    0.0588
  band No.  band energies     occupation 
      1      -5.6809      2.00000
      2       2.9832      2.00000
      3       4.2877      2.00000
      4       5.1106      2.00000
      5       8.1582      0.00000
      6       8.7843      0.00000
      7       9.4417      0.00000
      8      10.7855      0.00000

 k-point    84 :       0.2941    0.1176    0.0588
  band No.  band energies     occupation 
      1      -5.3805      2.00000
      2       1.9816      2.00000
      3       4.0253      2.00000
      4       4.8973      2.00000
      5       8.1974      0.00000
      6       8.8444      0.00000
      7       9.6961      0.00000
      8      11.0065      0.00000

 k-point    85 :       0.3529    0.1176    0.0588
  band No.  band energies     occupation 
      1      -5.0079      2.00000
      2       1.0009      2.00000
      3       3.8384      2.00000
      4       4.6710      2.00000
      5       8.0875      0.00000
      6       8.9330      0.00000
      7       9.7490      0.00000
      8      11.3963      0.00000

 k-point    86 :       0.4118    0.1176    0.0588
  band No.  band energies     occupation 
      1      -4.5834      2.00000
      2       0.1021      2.00000
      3       3.7134      2.00000
      4       4.4700      2.00000
      5       7.9602      0.00000
      6       8.9251      0.00000
      7       9.6769      0.00000
      8      12.0597      0.00000

 k-point    87 :       0.4706    0.1176    0.0588
  band No.  band energies     occupation 
      1      -4.1549      2.00000
      2      -0.6492      2.00000
      3       3.6406      2.00000
      4       4.3190      2.00000
      5       7.8640      0.00000
      6       8.8733      0.00000
      7       9.5790      0.00000
      8      12.8820      0.00000

 k-point    88 :      -0.4706    0.1176    0.0588
  band No.  band energies     occupation 
      1      -3.8434      2.00000
      2      -1.1239      2.00000
      3       3.6087      2.00000
      4       4.2372      2.00000
      5       7.8139      0.00000
      6       8.8349      0.00000
      7       9.5164      0.00000
      8      13.5692      0.00000

 k-point    89 :       0.2353    0.1765    0.0588
  band No.  band energies     occupation 
      1      -5.6059      2.00000
      2       3.0288      2.00000
      3       4.1370      2.00000
      4       4.6614      2.00000
      5       7.6043      0.00000
      6       9.4388      0.00000
      7       9.9989      0.00000
      8      10.2472      0.00000

 k-point    90 :       0.2941    0.1765    0.0588
  band No.  band energies     occupation 
      1      -5.3324      2.00000
      2       2.1990      2.00000
      3       3.7479      2.00000
      4       4.5018      2.00000
      5       7.7823      0.00000
      6       9.4062      0.00000
      7      10.1573      0.00000
      8      10.3527      0.00000

 k-point    91 :       0.3529    0.1765    0.0588
  band No.  band energies     occupation 
      1      -4.9830      2.00000
      2       1.2880      2.00000
      3       3.4770      2.00000
      4       4.2894      2.00000
      5       7.9434      0.00000
      6       9.4221      0.00000
      7      10.1817      0.00000
      8      10.5258      0.00000

 k-point    92 :       0.4118    0.1765    0.0588
  band No.  band energies     occupation 
      1      -4.5728      2.00000
      2       0.4031      2.00000
      3       3.2741      2.00000
      4       4.0978      2.00000
      5       7.9834      0.00000
      6       9.3431      0.00000
      7      10.4363      0.00000
      8      10.7284      0.00000

 k-point    93 :       0.4706    0.1765    0.0588
  band No.  band energies     occupation 
      1      -4.1367      2.00000
      2      -0.3807      2.00000
      3       3.1140      2.00000
      4       3.9722      2.00000
      5       7.9786      0.00000
      6       9.1962      0.00000
      7      10.3720      0.00000
      8      11.5111      0.00000

 k-point    94 :      -0.4706    0.1765    0.0588
  band No.  band energies     occupation 
      1      -3.7645      2.00000
      2      -0.9555      2.00000
      3       2.9878      2.00000
      4       3.9340      2.00000
      5       7.9989      0.00000
      6       9.0665      0.00000
      7      10.2773      0.00000
      8      12.4908      0.00000

 k-point    95 :      -0.4118    0.1765    0.0588
  band No.  band energies     occupation 
      1      -3.6445      2.00000
      2      -1.1251      2.00000
      3       2.9002      2.00000
      4       3.9845      2.00000
      5       8.0676      0.00000
      6       8.9842      0.00000
      7      10.2147      0.00000
      8      13.5237      0.00000

 k-point    96 :      -0.3529    0.1765    0.0588
  band No.  band energies     occupation 
      1      -3.8763      2.00000
      2      -0.7886      2.00000
      3       2.8634      2.00000
      4       4.1131      2.00000
      5       8.1836      0.00000
      6       8.9591      0.00000
      7      10.1942      0.00000
      8      12.7871      0.00000

 k-point    97 :      -0.2941    0.1765    0.0588
  band No.  band energies     occupation 
      1      -4.2866      2.00000
      2      -0.1245      2.00000
      3       2.8916      2.00000
      4       4.3043      2.00000
      5       8.3329      0.00000
      6       8.9795      0.00000
      7      10.2009      0.00000
      8      11.8665      0.00000

 k-point    98 :      -0.2353    0.1765    0.0588
  band No.  band energies     occupation 
      1      -4.7197      2.00000
      2       0.6966      2.00000
      3       3.0018      2.00000
      4       4.5381      2.00000
      5       8.4894      0.00000
      6       8.9876      0.00000
      7      10.1866      0.00000
      8      11.1373      0.00000

 k-point    99 :      -0.1765    0.1765    0.0588
  band No.  band energies     occupation 
      1      -5.1112      2.00000
      2       1.5717      2.00000
      3       3.2247      2.00000
      4       4.7854      2.00000
      5       8.5773      0.00000
      6       8.9083      0.00000
      7      10.0720      0.00000
      8      10.7255      0.00000

 k-point   100 :      -0.1176    0.1765    0.0588
  band No.  band energies     occupation 
      1      -5.4355      2.00000
      2       2.3790      2.00000
      3       3.6320      2.00000
      4       4.9988      2.00000
      5       8.3957      0.00000
      6       8.8890      0.00000
      7       9.7611      0.00000
      8      10.6923      0.00000

 k-point   101 :       0.2941    0.2353    0.0588
  band No.  band energies     occupation 
      1      -5.1979      2.00000
      2       2.1278      2.00000
      3       3.6500      2.00000
      4       4.0581      2.00000
      5       7.2115      0.00000
      6       9.1579      0.00000
      7      10.5742      0.00000
      8      11.0050      0.00000

 k-point   102 :       0.3529    0.2353    0.0588
  band No.  band energies     occupation 
      1      -4.8733      2.00000
      2       1.3931      2.00000
      3       3.2580      2.00000
      4       3.8820      2.00000
      5       7.4184      0.00000
      6       9.0893      0.00000
      7      10.4856      0.00000
      8      11.3403      0.00000

 k-point   103 :       0.4118    0.2353    0.0588
  band No.  band energies     occupation 
      1      -4.4815      2.00000
      2       0.6032      2.00000
      3       2.9326      2.00000
      4       3.7069      2.00000
      5       7.5838      0.00000
      6       9.4309      0.00000
      7      10.2991      0.00000
      8      11.4243      0.00000

 k-point   104 :       0.4706    0.2353    0.0588
  band No.  band energies     occupation 
      1      -4.0477      2.00000
      2      -0.1532      2.00000
      3       2.6527      2.00000
      4       3.6033      2.00000
      5       7.6458      0.00000
      6      10.0646      0.00000
      7      10.1854      0.00000
      8      11.3587      0.00000

 k-point   105 :      -0.4706    0.2353    0.0588
  band No.  band energies     occupation 
      1      -3.6366      2.00000
      2      -0.7754      2.00000
      3       2.4194      2.00000
      4       3.5906      2.00000
      5       7.7025      0.00000
      6       9.8972      0.00000
      7      11.1216      0.00000
      8      11.2491      0.00000

 k-point   106 :      -0.4118    0.2353    0.0588
  band No.  band energies     occupation 
      1      -3.4100      2.00000
      2      -1.0843      2.00000
      3       2.2459      2.00000
      4       3.6654      2.00000
      5       7.8099      0.00000
      6       9.7443      0.00000
      7      11.1491      0.00000
      8      12.2148      0.00000

 k-point   107 :      -0.3529    0.2353    0.0588
  band No.  band energies     occupation 
      1      -3.5446      2.00000
      2      -0.8987      2.00000
      3       2.1482      2.00000
      4       3.8169      2.00000
      5       7.9821      0.00000
      6       9.6331      0.00000
      7      11.0722      0.00000
      8      12.7358      0.00000

 k-point   108 :      -0.2941    0.2353    0.0588
  band No.  band energies     occupation 
      1      -3.9246      2.00000
      2      -0.3442      2.00000
      3       2.1464      2.00000
      4       4.0312      2.00000
      5       8.2115      0.00000
      6       9.5484      0.00000
      7      10.9927      0.00000
      8      11.7789      0.00000

 k-point   109 :      -0.2353    0.2353    0.0588
  band No.  band energies     occupation 
      1      -4.3600      2.00000
      2       0.3555      2.00000
      3       2.2771      2.00000
      4       4.2885      2.00000
      5       8.4740      0.00000
      6       9.4138      0.00000
      7      10.8150      0.00000
      8      11.0699      0.00000

 k-point   110 :      -0.1765    0.2353    0.0588
  band No.  band energies     occupation 
      1      -4.7664      2.00000
      2       1.0356      2.00000
      3       2.6129      2.00000
      4       4.5572      2.00000
      5       8.7154      0.00000
      6       9.0870      0.00000
      7      10.5826      0.00000
      8      10.6292      0.00000

 k-point   111 :       0.3529    0.2941    0.0588
  band No.  band energies     occupation 
      1      -4.6800      2.00000
      2       1.1877      2.00000
      3       3.2462      2.00000
      4       3.5393      2.00000
      5       6.8898      0.00000
      6       8.3647      0.00000
      7      11.4785      0.00000
      8      12.0625      0.00000

 k-point   112 :       0.4118    0.2941    0.0588
  band No.  band energies     occupation 
      1      -4.3093      2.00000
      2       0.5507      2.00000
      3       2.8421      2.00000
      4       3.3723      2.00000
      5       7.1227      0.00000
      6       8.4026      0.00000
      7      11.3601      0.00000
      8      12.3870      0.00000

 k-point   113 :       0.4706    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.8850      2.00000
      2      -0.1039      2.00000
      3       2.4285      2.00000
      4       3.2753      2.00000
      5       7.2685      0.00000
      6       8.9143      0.00000
      7      11.1644      0.00000
      8      12.4272      0.00000

 k-point   114 :      -0.4706    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.4531      2.00000
      2      -0.6996      2.00000
      3       2.0633      2.00000
      4       3.2703      2.00000
      5       7.3481      0.00000
      6       9.7667      0.00000
      7      10.9674      0.00000
      8      12.3411      0.00000

 k-point   115 :      -0.4118    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.1416      2.00000
      2      -1.0884      2.00000
      3       1.7852      2.00000
      4       3.3514      2.00000
      5       7.4629      0.00000
      6      10.6001      0.00000
      7      10.9964      0.00000
      8      12.2246      0.00000

 k-point   116 :      -0.3529    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.1733      2.00000
      2      -1.0433      2.00000
      3       1.6207      2.00000
      4       3.5094      2.00000
      5       7.6450      0.00000
      6      10.5549      0.00000
      7      11.9596      0.00000
      8      12.1549      0.00000

 k-point   117 :      -0.2941    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.5143      2.00000
      2      -0.6181      2.00000
      3       1.6046      2.00000
      4       3.7323      2.00000
      5       7.8938      0.00000
      6      10.3943      0.00000
      7      11.6824      0.00000
      8      12.0032      0.00000

 k-point   118 :      -0.2353    0.2941    0.0588
  band No.  band energies     occupation 
      1      -3.9454      2.00000
      2      -0.0913      2.00000
      3       1.8003      2.00000
      4       4.0023      2.00000
      5       8.1896      0.00000
      6      10.0384      0.00000
      7      11.0965      0.00000
      8      11.5900      0.00000

 k-point   119 :       0.4118    0.3529    0.0588
  band No.  band energies     occupation 
      1      -4.0579      2.00000
      2       0.2261      2.00000
      3       2.9419      2.00000
      4       3.1363      2.00000
      5       6.6706      0.00000
      6       7.6814      0.00000
      7      12.4507      0.00000
      8      13.1532      0.00000

 k-point   120 :       0.4706    0.3529    0.0588
  band No.  band energies     occupation 
      1      -3.6483      2.00000
      2      -0.3257      2.00000
      3       2.5225      2.00000
      4       3.0142      2.00000
      5       6.9172      0.00000
      6       7.8689      0.00000
      7      12.3010      0.00000
      8      13.4712      0.00000

 k-point   121 :      -0.4706    0.3529    0.0588
  band No.  band energies     occupation 
      1      -3.2089      2.00000
      2      -0.8518      2.00000
      3       2.0476      2.00000
      4       3.0038      2.00000
      5       7.0403      0.00000
      6       8.5685      0.00000
      7      12.0948      0.00000
      8      13.4801      0.00000

 k-point   122 :      -0.4118    0.3529    0.0588
  band No.  band energies     occupation 
      1      -2.8372      2.00000
      2      -1.2549      2.00000
      3       1.6487      2.00000
      4       3.0808      2.00000
      5       7.1554      0.00000
      6       9.5486      0.00000
      7      11.8882      0.00000
      8      13.3451      0.00000

 k-point   123 :      -0.3529    0.3529    0.0588
  band No.  band energies     occupation 
      1      -2.7837      2.00000
      2      -1.2995      2.00000
      3       1.3972      2.00000
      4       3.2355      2.00000
      5       7.3344      0.00000
      6      10.6515      0.00000
      7      11.7080      0.00000
      8      12.8017      0.00000

 k-point   124 :      -0.2941    0.3529    0.0588
  band No.  band energies     occupation 
      1      -3.0947      2.00000
      2      -0.9807      2.00000
      3       1.3585      2.00000
      4       3.4579      2.00000
      5       7.5857      0.00000
      6      11.1596      0.00000
      7      11.9828      0.00000
      8      12.0223      0.00000

 k-point   125 :       0.4706    0.4118    0.0588
  band No.  band energies     occupation 
      1      -3.3394      2.00000
      2      -0.7317      2.00000
      3       2.7459      2.00000
      4       2.8565      2.00000
      5       6.5739      0.00000
      6       7.1604      0.00000
      7      13.4631      0.00000
      8      14.2569      0.00000

 k-point   126 :      -0.4706    0.4118    0.0588
  band No.  band energies     occupation 
      1      -2.9022      2.00000
      2      -1.2115      2.00000
      3       2.3217      2.00000
      4       2.8065      2.00000
      5       6.8055      0.00000
      6       7.5305      0.00000
      7      13.2931      0.00000
      8      14.5318      0.00000

 k-point   127 :      -0.4118    0.4118    0.0588
  band No.  band energies     occupation 
      1      -2.4935      2.00000
      2      -1.6068      2.00000
      3       1.8485      2.00000
      4       2.8730      2.00000
      5       6.9211      0.00000
      6       8.3978      0.00000
      7      13.0732      0.00000
      8      14.0963      0.00000

 k-point   128 :      -0.3529    0.4118    0.0588
  band No.  band energies     occupation 
      1      -2.4454      2.00000
      2      -1.6217      2.00000
      3       1.5015      2.00000
      4       3.0189      2.00000
      5       7.0893      0.00000
      6       9.4765      0.00000
      7      12.6900      0.00000
      8      13.1323      0.00000

 k-point   129 :      -0.4706    0.4706    0.0588
  band No.  band energies     occupation 
      1      -2.5353      2.00000
      2      -1.6598      2.00000
      3       2.6638      2.00000
      4       2.6998      2.00000
      5       6.6154      0.00000
      6       6.8074      0.00000
      7      14.4993      0.00000
      8      15.1784      0.00000

 k-point   130 :      -0.4118    0.4706    0.0588
  band No.  band energies     occupation 
      1      -2.1539      2.00000
      2      -2.0085      2.00000
      3       2.2535      2.00000
      4       2.7387      2.00000
      5       6.7727      0.00000
      6       7.4125      0.00000
      7      14.2364      0.00000
      8      14.4017      0.00000

 k-point   131 :       0.3529    0.2353    0.1176
  band No.  band energies     occupation 
      1      -5.0346      2.00000
      2       1.6158      2.00000
      3       3.1467      2.00000
      4       4.3622      2.00000
      5       8.0330      0.00000
      6       9.4238      0.00000
      7       9.9310      0.00000
      8      10.8257      0.00000

 k-point   132 :       0.4118    0.2353    0.1176
  band No.  band energies     occupation 
      1      -4.6648      2.00000
      2       0.8881      2.00000
      3       2.7605      2.00000
      4       4.1349      2.00000
      5       8.3074      0.00000
      6       9.3907      0.00000
      7       9.9290      0.00000
      8      11.1557      0.00000

 k-point   133 :       0.4706    0.2353    0.1176
  band No.  band energies     occupation 
      1      -4.2418      2.00000
      2       0.1191      2.00000
      3       2.5401      2.00000
      4       3.9036      2.00000
      5       8.4322      0.00000
      6       9.1893      0.00000
      7      10.4774      0.00000
      8      11.2654      0.00000

 k-point   134 :      -0.4706    0.2353    0.1176
  band No.  band energies     occupation 
      1      -3.8114      2.00000
      2      -0.5702      2.00000
      3       2.4227      2.00000
      4       3.7222      2.00000
      5       8.4905      0.00000
      6       8.9622      0.00000
      7      11.1913      0.00000
      8      11.4310      0.00000

 k-point   135 :      -0.4118    0.2353    0.1176
  band No.  band energies     occupation 
      1      -3.4934      2.00000
      2      -1.0243      2.00000
      3       2.3724      2.00000
      4       3.6230      2.00000
      5       8.5545      0.00000
      6       8.7908      0.00000
      7      11.2172      0.00000
      8      12.4269      0.00000

 k-point   136 :       0.4118    0.2941    0.1176
  band No.  band energies     occupation 
      1      -4.5275      2.00000
      2       0.8381      2.00000
      3       2.7534      2.00000
      4       3.6940      2.00000
      5       7.7266      0.00000
      6       8.9906      0.00000
      7      10.3349      0.00000
      8      11.9474      0.00000

 k-point   137 :       0.4706    0.2941    0.1176
  band No.  band energies     occupation 
      1      -4.1202      2.00000
      2       0.2024      2.00000
      3       2.3864      2.00000
      4       3.4658      2.00000
      5       8.0194      0.00000
      6       9.2855      0.00000
      7      10.1012      0.00000
      8      12.2824      0.00000

 k-point   138 :      -0.4706    0.2941    0.1176
  band No.  band energies     occupation 
      1      -3.6835      2.00000
      2      -0.4353      2.00000
      3       2.1330      2.00000
      4       3.2915      2.00000
      5       8.1479      0.00000
      6       9.7791      0.00000
      7      10.1069      0.00000
      8      12.3615      0.00000

 k-point   139 :      -0.4118    0.2941    0.1176
  band No.  band energies     occupation 
      1      -3.3045      2.00000
      2      -0.9417      2.00000
      3       1.9603      2.00000
      4       3.2175      2.00000
      5       8.2527      0.00000
      6       9.5946      0.00000
      7      11.0650      0.00000
      8      12.3398      0.00000

 k-point   140 :      -0.3529    0.2941    0.1176
  band No.  band energies     occupation 
      1      -3.1851      2.00000
      2      -1.0904      2.00000
      3       1.8586      2.00000
      4       3.2553      2.00000
      5       8.4060      0.00000
      6       9.4172      0.00000
      7      12.1246      0.00000
      8      12.2757      0.00000

 k-point   141 :      -0.2941    0.2941    0.1176
  band No.  band energies     occupation 
      1      -3.4327      2.00000
      2      -0.7719      2.00000
      3       1.8426      2.00000
      4       3.3949      2.00000
      5       8.6200      0.00000
      6       9.2801      0.00000
      7      11.3274      0.00000
      8      12.2621      0.00000

 k-point   142 :      -0.2353    0.2941    0.1176
  band No.  band energies     occupation 
      1      -3.8491      2.00000
      2      -0.2087      2.00000
      3       1.9482      2.00000
      4       3.6141      2.00000
      5       8.8849      0.00000
      6       9.1382      0.00000
      7      10.4300      0.00000
      8      12.1362      0.00000

 k-point   143 :      -0.1765    0.2941    0.1176
  band No.  band energies     occupation 
      1      -4.2793      2.00000
      2       0.3856      2.00000
      3       2.2363      2.00000
      4       3.8793      2.00000
      5       8.8135      0.00000
      6       9.1704      0.00000
      7       9.9319      0.00000
      8      11.7783      0.00000

 k-point   144 :       0.4706    0.3529    0.1176
  band No.  band energies     occupation 
      1      -3.9215      2.00000
      2       0.0317      2.00000
      3       2.4708      2.00000
      4       3.1147      2.00000
      5       7.5112      0.00000
      6       8.3705      0.00000
      7      11.1608      0.00000
      8      13.1004      0.00000

 k-point   145 :      -0.4706    0.3529    0.1176
  band No.  band energies     occupation 
      1      -3.4891      2.00000
      2      -0.5091      2.00000
      3       2.1149      2.00000
      4       2.9173      2.00000
      5       7.8003      0.00000
      6       8.8241      0.00000
      7      10.9165      0.00000
      8      13.4400      0.00000

 k-point   146 :      -0.4118    0.3529    0.1176
  band No.  band energies     occupation 
      1      -3.0720      2.00000
      2      -0.9961      2.00000
      3       1.8001      2.00000
      4       2.8528      2.00000
      5       7.9288      0.00000
      6       9.6979      0.00000
      7      10.7020      0.00000
      8      13.4624      0.00000

 k-point   147 :      -0.3529    0.3529    0.1176
  band No.  band energies     occupation 
      1      -2.8480      2.00000
      2      -1.2409      2.00000
      3       1.5753      2.00000
      4       2.9136      2.00000
      5       8.0810      0.00000
      6      10.3317      0.00000
      7      10.9473      0.00000
      8      12.5293      0.00000

 k-point   148 :      -0.2941    0.3529    0.1176
  band No.  band energies     occupation 
      1      -3.0221      2.00000
      2      -1.0452      2.00000
      3       1.4882      2.00000
      4       3.0774      2.00000
      5       8.2969      0.00000
      6      10.2093      0.00000
      7      11.3656      0.00000
      8      12.1440      0.00000

 k-point   149 :      -0.2353    0.3529    0.1176
  band No.  band energies     occupation 
      1      -3.4200      2.00000
      2      -0.6197      2.00000
      3       1.5941      2.00000
      4       3.3212      2.00000
      5       8.5733      0.00000
      6       9.8664      0.00000
      7      10.6150      0.00000
      8      12.8859      0.00000

 k-point   150 :      -0.4706    0.4118    0.1176
  band No.  band energies     occupation 
      1      -3.2277      2.00000
      2      -0.8027      2.00000
      3       2.3112      2.00000
      4       2.6797      2.00000
      5       7.4067      0.00000
      6       7.9015      0.00000
      7      12.0735      0.00000
      8      14.2405      0.00000

 k-point   151 :      -0.4118    0.4118    0.1176
  band No.  band energies     occupation 
      1      -2.7912      2.00000
      2      -1.2520      2.00000
      3       1.9516      2.00000
      4       2.5665      2.00000
      5       7.6662      0.00000
      6       8.5448      0.00000
      7      11.8301      0.00000
      8      13.8902      0.00000

 k-point   152 :      -0.3529    0.4118    0.1176
  band No.  band energies     occupation 
      1      -2.4890      2.00000
      2      -1.5383      2.00000
      3       1.6028      2.00000
      4       2.6377      2.00000
      5       7.8140      0.00000
      6       9.5609      0.00000
      7      11.6095      0.00000
      8      12.6636      0.00000

 k-point   153 :      -0.2941    0.4118    0.1176
  band No.  band energies     occupation 
      1      -2.6344      2.00000
      2      -1.3833      2.00000
      3       1.4196      2.00000
      4       2.8164      2.00000
      5       8.0220      0.00000
      6      10.6159      0.00000
      7      11.3857      0.00000
      8      11.6476      0.00000

 k-point   154 :      -0.4118    0.4706    0.1176
  band No.  band energies     occupation 
      1      -2.4613      2.00000
      2      -1.6437      2.00000
      3       2.2857      2.00000
      4       2.4050      2.00000
      5       7.4291      0.00000
      6       7.5904      0.00000
      7      13.0617      0.00000
      8      14.1008      0.00000

 k-point   155 :      -0.3529    0.4706    0.1176
  band No.  band energies     occupation 
      1      -2.1623      2.00000
      2      -1.8963      2.00000
      3       1.8975      2.00000
      4       2.4467      2.00000
      5       7.6212      0.00000
      6       8.4515      0.00000
      7      12.7637      0.00000
      8      12.9066      0.00000

 k-point   156 :      -0.4706    0.3529    0.1765
  band No.  band energies     occupation 
      1      -3.7038      2.00000
      2      -0.2663      2.00000
      3       1.9843      2.00000
      4       3.1761      2.00000
      5       8.6134      0.00000
      6       9.3409      0.00000
      7       9.8572      0.00000
      8      13.0146      0.00000

 k-point   157 :      -0.4118    0.3529    0.1765
  band No.  band energies     occupation 
      1      -3.2709      2.00000
      2      -0.7649      2.00000
      3       1.7473      2.00000
      4       2.9362      2.00000
      5       8.9234      0.00000
      6       9.4833      0.00000
      7      10.0941      0.00000
      8      13.3876      0.00000

 k-point   158 :      -0.3529    0.3529    0.1765
  band No.  band energies     occupation 
      1      -2.9345      2.00000
      2      -1.1474      2.00000
      3       1.6444      2.00000
      4       2.8025      2.00000
      5       9.0473      0.00000
      6       9.3128      0.00000
      7      11.0688      0.00000
      8      12.3087      0.00000

 k-point   159 :      -0.4118    0.4118    0.1765
  band No.  band energies     occupation 
      1      -3.0561      2.00000
      2      -0.9408      2.00000
      3       1.8751      2.00000
      4       2.5806      2.00000
      5       8.5113      0.00000
      6       8.9326      0.00000
      7      10.6531      0.00000
      8      13.7001      0.00000

 k-point   160 :      -0.3529    0.4118    0.1765
  band No.  band energies     occupation 
      1      -2.6583      2.00000
      2      -1.3329      2.00000
      3       1.6829      2.00000
      4       2.4097      2.00000
      5       8.7898      0.00000
      6       9.6957      0.00000
      7      10.4595      0.00000
      8      12.4211      0.00000

 k-point   161 :      -0.2941    0.4118    0.1765
  band No.  band energies     occupation 
      1      -2.5448      2.00000
      2      -1.4400      2.00000
      3       1.5534      2.00000
      4       2.4419      2.00000
      5       8.9652      0.00000
      6      10.0697      0.00000
      7      10.9068      0.00000
      8      11.3188      0.00000

 k-point   162 :      -0.2353    0.4118    0.1765
  band No.  band energies     occupation 
      1      -2.8478      2.00000
      2      -1.1440      2.00000
      3       1.5561      2.00000
      4       2.6339      2.00000
      5       9.1905      0.00000
      6       9.7685      0.00000
      7      10.2886      0.00000
      8      12.2466      0.00000

 k-point   163 :      -0.3529    0.4706    0.1765
  band No.  band energies     occupation 
      1      -2.3596      2.00000
      2      -1.6443      2.00000
      3       1.9269      2.00000
      4       2.1586      2.00000
      5       8.5230      0.00000
      6       8.6602      0.00000
      7      11.5759      0.00000
      8      12.6019      0.00000

 k-point   164 :      -0.2941    0.4706    0.1765
  band No.  band energies     occupation 
      1      -2.1917      2.00000
      2      -1.7788      2.00000
      3       1.6992      2.00000
      4       2.1858      2.00000
      5       8.7442      0.00000
      6       9.6465      0.00000
      7      11.3190      0.00000
      8      11.4235      0.00000

 k-point   165 :      -0.2941    0.4706    0.2353
  band No.  band energies     occupation 
      1      -2.2602      2.00000
      2      -1.6875      2.00000
      3       1.7113      2.00000
      4       2.0754      2.00000
      5       9.7171      0.00000
      6       9.7517      0.00000
      7      10.3592      0.00000
      8      11.1824      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
 18.437  25.723  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000
 25.723  35.892  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000
 -0.000  -0.000   4.181  -0.000  -0.000   7.791  -0.000  -0.000
 -0.000  -0.000  -0.000   4.181  -0.000  -0.000   7.791  -0.000
 -0.000  -0.000  -0.000  -0.000   4.181  -0.000  -0.000   7.791
 -0.000  -0.000   7.791  -0.000  -0.000  14.529  -0.000  -0.000
 -0.000  -0.000  -0.000   7.791  -0.000  -0.000  14.529  -0.000
 -0.000  -0.000  -0.000  -0.000   7.791  -0.000  -0.000  14.529
 total augmentation occupancy for first ion, spin component:           1
  5.593  -2.097  -0.000  -0.000  -0.000   0.000  -0.000   0.000
 -2.097   0.902   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000   0.000   3.004  -0.000   0.000  -0.688  -0.000  -0.000
 -0.000   0.000  -0.000   3.004  -0.000   0.000  -0.688  -0.000
 -0.000   0.000   0.000  -0.000   3.004   0.000   0.000  -0.688
  0.000   0.000  -0.688   0.000  -0.000   0.166  -0.000   0.000
 -0.000   0.000   0.000  -0.688   0.000  -0.000   0.166   0.000
  0.000   0.000  -0.000   0.000  -0.688   0.000   0.000   0.166


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


    CHARGE:  cpu time    0.1000: real time    0.1009
    FORLOC:  cpu time    0.0000: real time    0.0012
    FORNL :  cpu time    0.1080: real time    0.1100
    STRESS:  cpu time    0.6520: real time    0.6543
    FORCOR:  cpu time    0.0080: real time    0.0096
    FORHAR:  cpu time    0.0040: real time    0.0026
    MIXING:  cpu time    0.0000: real time    0.0003
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z     3.29610     3.29610     3.29610
  Ewald     -75.67069   -75.67069   -75.67069     0.00000    -0.00000     0.00000
  Hartree     5.05241     5.05241     5.05241     0.00000     0.00000     0.00000
  E(xc)     -25.25752   -25.25752   -25.25752    -0.00002    -0.00002    -0.00002
  Local     -29.54117   -29.54117   -29.54117     0.00007     0.00007     0.00007
  n-local    78.39757    79.96260    74.17157     2.21563    -1.30825     0.49594
  augment   -11.64326   -11.64326   -11.64326    -0.00006    -0.00006    -0.00006
  Kinetic    58.49605    55.73825    54.50649     3.58381    -0.67843     1.05583
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -0.00663    -0.00663    -0.00663     0.00000     0.00000    -0.00000
  in kB      -0.26001    -0.26001    -0.26001     0.00000     0.00000    -0.00000
  external pressure =       -0.26 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      306.68
  volume of cell :       40.85
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.733556058  2.733556058    -0.182911925  0.182911925  0.182911925
     2.733556058  0.000000000  2.733556058     0.182911925 -0.182911925  0.182911925
     2.733556058  2.733556058  0.000000000     0.182911925  0.182911925 -0.182911925

  length of vectors
     3.865832051  3.865832051  3.865832051     0.316812747  0.316812747  0.316812747


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   0.135E-05 0.135E-05 0.146E-05   0.655E-14 0.769E-14 0.769E-14   -.347E-16 -.694E-16 -.729E-16   0.171E-06 0.171E-06 0.171E-06
   -.566E-05 -.566E-05 -.578E-05   -.674E-14 -.766E-14 -.816E-14   0.486E-16 0.694E-16 0.867E-16   -.171E-06 -.171E-06 -.171E-06
 -----------------------------------------------------------------------------------------------
   -.432E-05 -.432E-05 -.432E-05   -.192E-15 0.365E-16 -.477E-15   0.139E-16 0.000E+00 0.139E-16   0.421E-10 0.421E-10 0.419E-10


 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000        -0.000000      0.000000      0.000000
      1.36678      1.36678      1.36678         0.000000     -0.000000     -0.000000
 -----------------------------------------------------------------------------------
    total drift:                               -0.000004     -0.000004     -0.000004


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -10.84471086 eV

  energy  without entropy=      -10.84471086  energy(sigma->0) =      -10.84471086



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


    POTLOK:  cpu time    0.0160: real time    0.0147


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


     LOOP+:  cpu time   18.8720: real time   18.9186


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



 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)
  --------------------------------------------------------------------------------------
     217.830       0.000      -0.000       0.000       0.000       0.000
      -0.000      -0.000     217.830       0.000       0.000       0.000
       0.000      -0.000       0.000      -0.000     217.830       0.000
  --------------------------------------------------------------------------------------
 sumrule: sum of plasma frequencies squared should yield (valence only):     270.022

 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
    0.259460    0.047618    0.047618    0.047618    0.000000    0.000000    0.000000
    0.518919    0.098653    0.098653    0.098653    0.000000    0.000000    0.000000
    0.778379    0.157242    0.157242    0.157242    0.000000    0.000000    0.000000
    1.037839    0.229297    0.229297    0.229297    0.000000    0.000000    0.000000
    1.297299    0.324513    0.324513    0.324513    0.000000    0.000000    0.000000
    1.556758    0.461034    0.461034    0.461034    0.000000    0.000000    0.000000
    1.816218    0.678497    0.678497    0.678497    0.000000    0.000000    0.000000
    2.075678    1.085728    1.085728    1.085728    0.000000    0.000000    0.000000
    2.335137    2.138335    2.138335    2.138335    0.000000    0.000000    0.000000
    2.594597    8.306118    8.306118    8.306118    0.000000    0.000000    0.000000
    2.854057   17.626514   17.626514   17.626514    0.000000    0.000000   -0.000000
    3.113517   20.801068   20.801068   20.801068    0.000000    0.000000   -0.000000
    3.372976   28.157823   28.157823   28.157823   -0.000000   -0.000000    0.000000
    3.632436   41.147242   41.147242   41.147242    0.000000   -0.000000   -0.000000
    3.891896   30.189283   30.189283   30.189283   -0.000000   -0.000000    0.000000
    4.151355   35.202327   35.202327   35.202327   -0.000000   -0.000000    0.000000
    4.410815   14.733615   14.733615   14.733615   -0.000000   -0.000000    0.000000
    4.670275   12.374222   12.374222   12.374222    0.000000    0.000000   -0.000000
    4.929735   12.677655   12.677655   12.677655    0.000000    0.000000   -0.000000
    5.189194   16.062426   16.062426   16.062426   -0.000000   -0.000000   -0.000000
    5.448654    7.110514    7.110514    7.110514    0.000000    0.000000   -0.000000
    5.708114    5.613599    5.613599    5.613599   -0.000000    0.000000   -0.000000
    5.967573    5.798005    5.798005    5.798005    0.000000    0.000000   -0.000000
    6.227033    4.081533    4.081533    4.081533    0.000000    0.000000    0.000000
    6.486493    5.104346    5.104346    5.104346    0.000000   -0.000000   -0.000000
    6.745953    3.292701    3.292701    3.292701   -0.000000   -0.000000   -0.000000
    7.005412    2.317005    2.317005    2.317005   -0.000000   -0.000000   -0.000000
    7.264872    2.619081    2.619081    2.619081   -0.000000   -0.000000    0.000000
    7.524332    2.285796    2.285796    2.285796    0.000000    0.000000    0.000000
    7.783791    1.775596    1.775596    1.775596    0.000000    0.000000    0.000000
    8.043251    1.699491    1.699491    1.699491    0.000000    0.000000   -0.000000
    8.302711    1.049111    1.049111    1.049111    0.000000    0.000000   -0.000000
    8.562170    1.006651    1.006651    1.006651    0.000000    0.000000    0.000000
    8.821630    1.358317    1.358317    1.358317    0.000000   -0.000000    0.000000
    9.081090    0.971838    0.971838    0.971838    0.000000    0.000000    0.000000
    9.340550    0.739759    0.739759    0.739759    0.000000    0.000000   -0.000000
    9.600009    0.541558    0.541558    0.541558   -0.000000    0.000000    0.000000
    9.859469    0.491430    0.491430    0.491430   -0.000000    0.000000   -0.000000
   10.118929    0.528187    0.528187    0.528187    0.000000    0.000000   -0.000000
   10.378388    0.643641    0.643641    0.643641   -0.000000    0.000000   -0.000000
   10.637848    0.502324    0.502324    0.502324   -0.000000   -0.000000   -0.000000
   10.897308    0.330854    0.330854    0.330854   -0.000000   -0.000000   -0.000000
   11.156768    0.266651    0.266651    0.266651   -0.000000   -0.000000   -0.000000
   11.416227    0.294846    0.294846    0.294846   -0.000000   -0.000000   -0.000000
   11.675687    0.280683    0.280683    0.280683   -0.000000   -0.000000   -0.000000
   11.935147    0.296581    0.296581    0.296581   -0.000000   -0.000000   -0.000000
   12.194606    0.236559    0.236559    0.236559   -0.000000   -0.000000   -0.000000
   12.454066    0.148542    0.148542    0.148542   -0.000000   -0.000000   -0.000000
   12.713526    0.152466    0.152466    0.152466   -0.000000    0.000000   -0.000000
   12.972986    0.144756    0.144756    0.144756   -0.000000   -0.000000   -0.000000
   13.232445    0.156802    0.156802    0.156802   -0.000000    0.000000   -0.000000
   13.491905    0.154031    0.154031    0.154031   -0.000000    0.000000    0.000000
   13.751365    0.136868    0.136868    0.136868    0.000000    0.000000    0.000000
   14.010824    0.106989    0.106989    0.106989    0.000000    0.000000    0.000000
   14.270284    0.106408    0.106408    0.106408    0.000000   -0.000000    0.000000
   14.529744    0.098872    0.098872    0.098872    0.000000   -0.000000    0.000000
   14.789204    0.082406    0.082406    0.082406   -0.000000    0.000000    0.000000
   15.048663    0.067535    0.067535    0.067535    0.000000    0.000000   -0.000000
   15.308123    0.051697    0.051697    0.051697   -0.000000    0.000000   -0.000000
   15.567583    0.046633    0.046633    0.046633   -0.000000    0.000000   -0.000000
   15.827042    0.042728    0.042728    0.042728   -0.000000    0.000000   -0.000000
   16.086502    0.032090    0.032090    0.032090   -0.000000    0.000000    0.000000
   16.345962    0.030072    0.030072    0.030072   -0.000000    0.000000   -0.000000
   16.605422    0.025414    0.025414    0.025414   -0.000000    0.000000    0.000000
   16.864881    0.020775    0.020775    0.020775   -0.000000   -0.000000    0.000000
   17.124341    0.017837    0.017837    0.017837   -0.000000    0.000000   -0.000000
   17.383801    0.014268    0.014268    0.014268   -0.000000   -0.000000    0.000000
   17.643260    0.012404    0.012404    0.012404   -0.000000   -0.000000    0.000000
   17.902720    0.010446    0.010446    0.010446   -0.000000    0.000000    0.000000
   18.162180    0.009580    0.009580    0.009580   -0.000000    0.000000    0.000000
   18.421640    0.008956    0.008956    0.008956   -0.000000    0.000000    0.000000
   18.681099    0.008450    0.008450    0.008450   -0.000000    0.000000    0.000000
   18.940559    0.008004    0.008004    0.008004   -0.000000    0.000000    0.000000
   19.200019    0.007600    0.007600    0.007600   -0.000000    0.000000    0.000000
   19.459478    0.007231    0.007231    0.007231   -0.000000    0.000000    0.000000
   19.718938    0.006890    0.006890    0.006890   -0.000000    0.000000    0.000000
   19.978398    0.006574    0.006574    0.006574   -0.000000    0.000000    0.000000
   20.237858    0.006280    0.006280    0.006280   -0.000000    0.000000    0.000000
   20.497317    0.006005    0.006005    0.006005   -0.000000    0.000000    0.000000
   20.756777    0.005748    0.005748    0.005748   -0.000000    0.000000    0.000000
   21.016237    0.005506    0.005506    0.005506   -0.000000    0.000000    0.000000
   21.275696    0.005279    0.005279    0.005279   -0.000000    0.000000    0.000000
   21.535156    0.005066    0.005066    0.005066   -0.000000    0.000000    0.000000
   21.794616    0.004864    0.004864    0.004864   -0.000000    0.000000    0.000000
   22.054076    0.004674    0.004674    0.004674   -0.000000    0.000000    0.000000
   22.313535    0.004494    0.004494    0.004494   -0.000000    0.000000    0.000000
   22.572995    0.004324    0.004324    0.004324   -0.000000    0.000000    0.000000
   22.832455    0.004163    0.004163    0.004163   -0.000000    0.000000    0.000000
   23.091914    0.004009    0.004009    0.004009   -0.000000    0.000000    0.000000
   23.351374    0.003864    0.003864    0.003864   -0.000000    0.000000    0.000000
   23.610834    0.003726    0.003726    0.003726   -0.000000    0.000000    0.000000
   23.870294    0.003595    0.003595    0.003595   -0.000000    0.000000    0.000000
   24.129753    0.003470    0.003470    0.003470   -0.000000    0.000000    0.000000
   24.389213    0.003351    0.003351    0.003351   -0.000000    0.000000    0.000000
   24.648673    0.003237    0.003237    0.003237   -0.000000    0.000000    0.000000
   24.908132    0.003129    0.003129    0.003129   -0.000000    0.000000    0.000000
   25.167592    0.003026    0.003026    0.003026   -0.000000    0.000000    0.000000
   25.427052    0.002927    0.002927    0.002927   -0.000000    0.000000    0.000000
   25.686511    0.002832    0.002832    0.002832   -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   13.380593   13.380593   13.380593   -0.000000    0.000000    0.000000
    0.259460   13.441798   13.441798   13.441798   -0.000000    0.000000    0.000000
    0.518919   13.629732   13.629732   13.629732   -0.000000    0.000000    0.000000
    0.778379   13.958231   13.958231   13.958231   -0.000000    0.000000    0.000000
    1.037839   14.453692   14.453692   14.453692   -0.000000    0.000000    0.000000
    1.297299   15.161768   15.161768   15.161768   -0.000000    0.000000    0.000000
    1.556758   16.161760   16.161760   16.161760   -0.000000    0.000000    0.000000
    1.816218   17.600381   17.600381   17.600381   -0.000000    0.000000    0.000000
    2.075678   19.785549   19.785549   19.785549   -0.000000    0.000000    0.000000
    2.335137   23.526960   23.526960   23.526960    0.000000    0.000000    0.000000
    2.594597   30.421836   30.421836   30.421836    0.000000    0.000000    0.000000
    2.854057   25.278170   25.278170   25.278170    0.000000    0.000000   -0.000000
    3.113517   25.797058   25.797058   25.797058   -0.000000   -0.000000    0.000000
    3.372976   22.643361   22.643361   22.643361   -0.000000   -0.000000    0.000000
    3.632436   12.445402   12.445402   12.445402   -0.000000    0.000000   -0.000000
    3.891896    0.358240    0.358240    0.358240   -0.000000   -0.000000    0.000000
    4.151355  -15.554477  -15.554477  -15.554477    0.000000    0.000000   -0.000000
    4.410815  -11.674874  -11.674874  -11.674874    0.000000    0.000000   -0.000000
    4.670275   -9.313968   -9.313968   -9.313968    0.000000    0.000000   -0.000000
    4.929735   -6.066141   -6.066141   -6.066141    0.000000   -0.000000   -0.000000
    5.189194   -9.309277   -9.309277   -9.309277    0.000000   -0.000000   -0.000000
    5.448654  -11.346830  -11.346830  -11.346830    0.000000   -0.000000    0.000000
    5.708114   -8.372545   -8.372545   -8.372545    0.000000   -0.000000    0.000000
    5.967573   -7.281731   -7.281731   -7.281731    0.000000   -0.000000   -0.000000
    6.227033   -6.758420   -6.758420   -6.758420    0.000000   -0.000000   -0.000000
    6.486493   -5.399293   -5.399293   -5.399293    0.000000   -0.000000   -0.000000
    6.745953   -6.619506   -6.619506   -6.619506    0.000000   -0.000000    0.000000
    7.005412   -5.053156   -5.053156   -5.053156    0.000000   -0.000000    0.000000
    7.264872   -4.572390   -4.572390   -4.572390    0.000000   -0.000000    0.000000
    7.524332   -4.376083   -4.376083   -4.376083    0.000000    0.000000   -0.000000
    7.783791   -4.000228   -4.000228   -4.000228    0.000000   -0.000000   -0.000000
    8.043251   -4.073562   -4.073562   -4.073562   -0.000000   -0.000000   -0.000000
    8.302711   -3.339455   -3.339455   -3.339455   -0.000000   -0.000000   -0.000000
    8.562170   -2.857824   -2.857824   -2.857824    0.000000   -0.000000    0.000000
    8.821630   -2.615292   -2.615292   -2.615292   -0.000000   -0.000000    0.000000
    9.081090   -2.740295   -2.740295   -2.740295    0.000000    0.000000   -0.000000
    9.340550   -2.461305   -2.461305   -2.461305    0.000000   -0.000000   -0.000000
    9.600009   -2.169294   -2.169294   -2.169294   -0.000000   -0.000000   -0.000000
    9.859469   -1.833873   -1.833873   -1.833873    0.000000   -0.000000   -0.000000
   10.118929   -1.626344   -1.626344   -1.626344    0.000000   -0.000000   -0.000000
   10.378388   -1.592967   -1.592967   -1.592967   -0.000000   -0.000000   -0.000000
   10.637848   -1.544829   -1.544829   -1.544829   -0.000000   -0.000000   -0.000000
   10.897308   -1.415211   -1.415211   -1.415211    0.000000   -0.000000   -0.000000
   11.156768   -1.216537   -1.216537   -1.216537    0.000000   -0.000000    0.000000
   11.416227   -1.072279   -1.072279   -1.072279    0.000000   -0.000000    0.000000
   11.675687   -0.970810   -0.970810   -0.970810    0.000000   -0.000000   -0.000000
   11.935147   -0.878783   -0.878783   -0.878783    0.000000   -0.000000   -0.000000
   12.194606   -0.866469   -0.866469   -0.866469    0.000000    0.000000   -0.000000
   12.454066   -0.752900   -0.752900   -0.752900    0.000000    0.000000   -0.000000
   12.713526   -0.651112   -0.651112   -0.651112    0.000000    0.000000   -0.000000
   12.972986   -0.551032   -0.551032   -0.551032    0.000000    0.000000   -0.000000
   13.232445   -0.493978   -0.493978   -0.493978    0.000000    0.000000    0.000000
   13.491905   -0.441767   -0.441767   -0.441767    0.000000    0.000000    0.000000
   13.751365   -0.392054   -0.392054   -0.392054    0.000000   -0.000000   -0.000000
   14.010824   -0.333605   -0.333605   -0.333605    0.000000   -0.000000   -0.000000
   14.270284   -0.271428   -0.271428   -0.271428    0.000000   -0.000000   -0.000000
   14.529744   -0.239427   -0.239427   -0.239427    0.000000   -0.000000   -0.000000
   14.789204   -0.202578   -0.202578   -0.202578    0.000000   -0.000000   -0.000000
   15.048663   -0.148722   -0.148722   -0.148722    0.000000   -0.000000   -0.000000
   15.308123   -0.101987   -0.101987   -0.101987    0.000000   -0.000000   -0.000000
   15.567583   -0.058796   -0.058796   -0.058796    0.000000   -0.000000   -0.000000
   15.827042   -0.020216   -0.020216   -0.020216    0.000000   -0.000000   -0.000000
   16.086502    0.019530    0.019530    0.019530    0.000000   -0.000000   -0.000000
   16.345962    0.054483    0.054483    0.054483    0.000000   -0.000000   -0.000000
   16.605422    0.090490    0.090490    0.090490    0.000000   -0.000000   -0.000000
   16.864881    0.120609    0.120609    0.120609    0.000000   -0.000000   -0.000000
   17.124341    0.152518    0.152518    0.152518    0.000000   -0.000000   -0.000000
   17.383801    0.182778    0.182778    0.182778    0.000000   -0.000000   -0.000000
   17.643260    0.210389    0.210389    0.210389    0.000000   -0.000000   -0.000000
   17.902720    0.237797    0.237797    0.237797    0.000000   -0.000000   -0.000000
   18.162180    0.263455    0.263455    0.263455    0.000000   -0.000000   -0.000000
   18.421640    0.287392    0.287392    0.287392    0.000000   -0.000000   -0.000000
   18.681099    0.309947    0.309947    0.309947    0.000000   -0.000000   -0.000000
   18.940559    0.331275    0.331275    0.331275    0.000000   -0.000000   -0.000000
   19.200019    0.351505    0.351505    0.351505    0.000000   -0.000000   -0.000000
   19.459478    0.370734    0.370734    0.370734    0.000000   -0.000000   -0.000000
   19.718938    0.389043    0.389043    0.389043    0.000000   -0.000000   -0.000000
   19.978398    0.406502    0.406502    0.406502    0.000000   -0.000000   -0.000000
   20.237858    0.423169    0.423169    0.423169    0.000000   -0.000000   -0.000000
   20.497317    0.439099    0.439099    0.439099    0.000000   -0.000000   -0.000000
   20.756777    0.454340    0.454340    0.454340    0.000000   -0.000000   -0.000000
   21.016237    0.468934    0.468934    0.468934    0.000000   -0.000000   -0.000000
   21.275696    0.482922    0.482922    0.482922    0.000000   -0.000000   -0.000000
   21.535156    0.496338    0.496338    0.496338    0.000000   -0.000000   -0.000000
   21.794616    0.509217    0.509217    0.509217    0.000000   -0.000000   -0.000000
   22.054076    0.521587    0.521587    0.521587    0.000000   -0.000000   -0.000000
   22.313535    0.533477    0.533477    0.533477    0.000000   -0.000000   -0.000000
   22.572995    0.544914    0.544914    0.544914    0.000000   -0.000000   -0.000000
   22.832455    0.555920    0.555920    0.555920    0.000000   -0.000000   -0.000000
   23.091914    0.566519    0.566519    0.566519    0.000000   -0.000000   -0.000000
   23.351374    0.576731    0.576731    0.576731    0.000000   -0.000000   -0.000000
   23.610834    0.586575    0.586575    0.586575    0.000000   -0.000000   -0.000000
   23.870294    0.596070    0.596070    0.596070    0.000000   -0.000000   -0.000000
   24.129753    0.605233    0.605233    0.605233    0.000000   -0.000000   -0.000000
   24.389213    0.614079    0.614079    0.614079    0.000000   -0.000000   -0.000000
   24.648673    0.622624    0.622624    0.622624    0.000000   -0.000000   -0.000000
   24.908132    0.630881    0.630881    0.630881    0.000000   -0.000000   -0.000000
   25.167592    0.638863    0.638863    0.638863    0.000000   -0.000000   -0.000000
   25.427052    0.646584    0.646584    0.646584    0.000000   -0.000000   -0.000000
   25.686511    0.654054    0.654054    0.654054    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   95.380727   95.380727   95.380727    0.000000    0.000000   -0.000000
    0.259460    9.631861    9.631861    9.631861    0.000000    0.000000   -0.000000
    0.518919    4.963100    4.963100    4.963100    0.000000    0.000000   -0.000000
    0.778379    3.484483    3.484483    3.484483    0.000000    0.000000   -0.000000
    1.037839    2.820053    2.820053    2.820053    0.000000    0.000000   -0.000000
    1.297299    2.506093    2.506093    2.506093    0.000000    0.000000   -0.000000
    1.556758    2.407246    2.407246    2.407246    0.000000    0.000000   -0.000000
    1.816218    2.504759    2.504759    2.504759    0.000000    0.000000   -0.000000
    2.075678    2.893715    2.893715    2.893715    0.000000    0.000000   -0.000000
    2.335137    4.064789    4.064789    4.064789    0.000000    0.000000   -0.000000
    2.594597   10.567497   10.567497   10.567497    0.000000    0.000000   -0.000000
    2.854057   19.306972   19.306972   19.306972    0.000000    0.000000   -0.000000
    3.113517   22.376708   22.376708   22.376708    0.000000    0.000000   -0.000000
    3.372976   29.420793   29.420793   29.420793   -0.000000   -0.000000    0.000000
    3.632436   41.747706   41.747706   41.747706   -0.000000   -0.000000    0.000000
    3.891896   30.139573   30.139573   30.139573    0.000000    0.000000   -0.000000
    4.151355   34.383488   34.383488   34.383488   -0.000000   -0.000000   -0.000000
    4.410815   14.151959   14.151959   14.151959   -0.000000    0.000000   -0.000000
    4.670275   11.926471   11.926471   11.926471   -0.000000    0.000000    0.000000
    4.929735   12.386794   12.386794   12.386794   -0.000000    0.000000   -0.000000
    5.189194   15.659506   15.659506   15.659506    0.000000    0.000000   -0.000000
    5.448654    6.654396    6.654396    6.654396    0.000000    0.000000   -0.000000
    5.708114    5.283156    5.283156    5.283156   -0.000000    0.000000   -0.000000
    5.967573    5.518114    5.518114    5.518114    0.000000    0.000000   -0.000000
    6.227033    3.831225    3.831225    3.831225   -0.000000   -0.000000   -0.000000
    6.486493    4.906354    4.906354    4.906354    0.000000   -0.000000    0.000000
    6.745953    3.065764    3.065764    3.065764    0.000000    0.000000   -0.000000
    7.005412    2.143677    2.143677    2.143677    0.000000    0.000000    0.000000
    7.264872    2.465113    2.465113    2.465113   -0.000000    0.000000    0.000000
    7.524332    2.142510    2.142510    2.142510   -0.000000    0.000000    0.000000
    7.783791    1.646792    1.646792    1.646792   -0.000000    0.000000   -0.000000
    8.043251    1.572989    1.572989    1.572989    0.000000    0.000000   -0.000000
    8.302711    0.944440    0.944440    0.944440    0.000000   -0.000000    0.000000
    8.562170    0.916412    0.916412    0.916412   -0.000000   -0.000000   -0.000000
    8.821630    1.276159    1.276159    1.276159    0.000000   -0.000000    0.000000
    9.081090    0.889278    0.889278    0.889278    0.000000   -0.000000   -0.000000
    9.340550    0.665563    0.665563    0.665563   -0.000000   -0.000000    0.000000
    9.600009    0.475447    0.475447    0.475447   -0.000000    0.000000   -0.000000
    9.859469    0.433909    0.433909    0.433909   -0.000000   -0.000000    0.000000
   10.118929    0.476239    0.476239    0.476239   -0.000000   -0.000000   -0.000000
   10.378388    0.593633    0.593633    0.593633    0.000000    0.000000    0.000000
   10.637848    0.454423    0.454423    0.454423   -0.000000    0.000000   -0.000000
   10.897308    0.286499    0.286499    0.286499    0.000000    0.000000   -0.000000
   11.156768    0.226897    0.226897    0.226897    0.000000    0.000000   -0.000000
   11.416227    0.258521    0.258521    0.258521   -0.000000   -0.000000   -0.000000
   11.675687    0.246901    0.246901    0.246901    0.000000   -0.000000   -0.000000
   11.935147    0.265080    0.265080    0.265080    0.000000   -0.000000   -0.000000
   12.194606    0.205921    0.205921    0.205921    0.000000   -0.000000   -0.000000
   12.454066    0.120386    0.120386    0.120386   -0.000000   -0.000000   -0.000000
   12.713526    0.126479    0.126479    0.126479   -0.000000    0.000000   -0.000000
   12.972986    0.120842    0.120842    0.120842   -0.000000    0.000000   -0.000000
   13.232445    0.134210    0.134210    0.134210   -0.000000    0.000000   -0.000000
   13.491905    0.132651    0.132651    0.132651   -0.000000    0.000000   -0.000000
   13.751365    0.116615    0.116615    0.116615    0.000000   -0.000000   -0.000000
   14.010824    0.087951    0.087951    0.087951    0.000000   -0.000000    0.000000
   14.270284    0.088588    0.088588    0.088588   -0.000000   -0.000000   -0.000000
   14.529744    0.081809    0.081809    0.081809    0.000000    0.000000    0.000000
   14.789204    0.066136    0.066136    0.066136    0.000000   -0.000000    0.000000
   15.048663    0.052265    0.052265    0.052265   -0.000000   -0.000000    0.000000
   15.308123    0.037296    0.037296    0.037296    0.000000   -0.000000    0.000000
   15.567583    0.033026    0.033026    0.033026    0.000000    0.000000   -0.000000
   15.827042    0.029832    0.029832    0.029832    0.000000    0.000000    0.000000
   16.086502    0.019899    0.019899    0.019899    0.000000    0.000000    0.000000
   16.345962    0.018502    0.018502    0.018502   -0.000000   -0.000000    0.000000
   16.605422    0.014459    0.014459    0.014459   -0.000000   -0.000000   -0.000000
   16.864881    0.010345    0.010345    0.010345   -0.000000   -0.000000   -0.000000
   17.124341    0.007938    0.007938    0.007938    0.000000    0.000000   -0.000000
   17.383801    0.004865    0.004865    0.004865    0.000000    0.000000   -0.000000
   17.643260    0.003452    0.003452    0.003452   -0.000000    0.000000   -0.000000
   17.902720    0.001931    0.001931    0.001931   -0.000000    0.000000   -0.000000
   18.162180    0.001469    0.001469    0.001469   -0.000000    0.000000   -0.000000
   18.421640    0.001219    0.001219    0.001219   -0.000000    0.000000   -0.000000
   18.681099    0.001062    0.001062    0.001062   -0.000000    0.000000   -0.000000
   18.940559    0.000942    0.000942    0.000942   -0.000000    0.000000   -0.000000
   19.200019    0.000845    0.000845    0.000845   -0.000000    0.000000   -0.000000
   19.459478    0.000763    0.000763    0.000763   -0.000000    0.000000   -0.000000
   19.718938    0.000693    0.000693    0.000693   -0.000000    0.000000   -0.000000
   19.978398    0.000632    0.000632    0.000632   -0.000000    0.000000   -0.000000
   20.237858    0.000579    0.000579    0.000579   -0.000000    0.000000   -0.000000
   20.497317    0.000532    0.000532    0.000532   -0.000000    0.000000   -0.000000
   20.756777    0.000490    0.000490    0.000490   -0.000000    0.000000   -0.000000
   21.016237    0.000452    0.000452    0.000452   -0.000000    0.000000   -0.000000
   21.275696    0.000419    0.000419    0.000419   -0.000000    0.000000   -0.000000
   21.535156    0.000388    0.000388    0.000388   -0.000000    0.000000   -0.000000
   21.794616    0.000360    0.000360    0.000360   -0.000000    0.000000   -0.000000
   22.054076    0.000335    0.000335    0.000335   -0.000000    0.000000   -0.000000
   22.313535    0.000313    0.000313    0.000313   -0.000000    0.000000   -0.000000
   22.572995    0.000292    0.000292    0.000292   -0.000000    0.000000   -0.000000
   22.832455    0.000273    0.000273    0.000273   -0.000000    0.000000   -0.000000
   23.091914    0.000255    0.000255    0.000255   -0.000000    0.000000   -0.000000
   23.351374    0.000239    0.000239    0.000239   -0.000000    0.000000   -0.000000
   23.610834    0.000224    0.000224    0.000224   -0.000000    0.000000   -0.000000
   23.870294    0.000210    0.000210    0.000210   -0.000000    0.000000   -0.000000
   24.129753    0.000198    0.000198    0.000198   -0.000000    0.000000   -0.000000
   24.389213    0.000186    0.000186    0.000186   -0.000000    0.000000   -0.000000
   24.648673    0.000175    0.000175    0.000175   -0.000000    0.000000   -0.000000
   24.908132    0.000165    0.000165    0.000165   -0.000000    0.000000   -0.000000
   25.167592    0.000156    0.000156    0.000156   -0.000000    0.000000   -0.000000
   25.427052    0.000147    0.000147    0.000147   -0.000000    0.000000   -0.000000
   25.686511    0.000139    0.000139    0.000139   -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   13.336857   13.336857   13.336857    0.000000    0.000000   -0.000000
    0.259460   13.396992   13.396992   13.396992    0.000000    0.000000   -0.000000
    0.518919   13.583472   13.583472   13.583472    0.000000    0.000000   -0.000000
    0.778379   13.909352   13.909352   13.909352    0.000000    0.000000   -0.000000
    1.037839   14.400666   14.400666   14.400666    0.000000    0.000000   -0.000000
    1.297299   15.102379   15.102379   15.102379    0.000000    0.000000   -0.000000
    1.556758   16.092429   16.092429   16.092429    0.000000    0.000000   -0.000000
    1.816218   17.514486   17.514486   17.514486    0.000000    0.000000   -0.000000
    2.075678   19.668105   19.668105   19.668105    0.000000    0.000000   -0.000000
    2.335137   23.328170   23.328170   23.328170    0.000000    0.000000   -0.000000
    2.594597   29.759505   29.759505   29.759505    0.000000    0.000000   -0.000000
    2.854057   24.027141   24.027141   24.027141   -0.000000   -0.000000   -0.000000
    3.113517   24.448687   24.448687   24.448687   -0.000000   -0.000000   -0.000000
    3.372976   20.964968   20.964968   20.964968   -0.000000   -0.000000   -0.000000
    3.632436   10.178751   10.178751   10.178751    0.000000    0.000000   -0.000000
    3.891896   -1.181333   -1.181333   -1.181333   -0.000000   -0.000000   -0.000000
    4.151355  -17.241354  -17.241354  -17.241354   -0.000000   -0.000000    0.000000
    4.410815  -12.330672  -12.330672  -12.330672    0.000000    0.000000    0.000000
    4.670275   -9.833389   -9.833389   -9.833389    0.000000    0.000000    0.000000
    4.929735   -6.572931   -6.572931   -6.572931    0.000000    0.000000    0.000000
    5.189194   -9.922788   -9.922788   -9.922788    0.000000   -0.000000    0.000000
    5.448654  -11.599492  -11.599492  -11.599492    0.000000   -0.000000    0.000000
    5.708114   -8.562911   -8.562911   -8.562911    0.000000   -0.000000    0.000000
    5.967573   -7.470302   -7.470302   -7.470302    0.000000   -0.000000    0.000000
    6.227033   -6.884366   -6.884366   -6.884366   -0.000000   -0.000000    0.000000
    6.486493   -5.552695   -5.552695   -5.552695    0.000000   -0.000000    0.000000
    6.745953   -6.712938   -6.712938   -6.712938    0.000000    0.000000    0.000000
    7.005412   -5.115546   -5.115546   -5.115546    0.000000   -0.000000    0.000000
    7.264872   -4.641307   -4.641307   -4.641307   -0.000000   -0.000000    0.000000
    7.524332   -4.433902   -4.433902   -4.433902    0.000000   -0.000000    0.000000
    7.783791   -4.042991   -4.042991   -4.042991    0.000000   -0.000000    0.000000
    8.043251   -4.113244   -4.113244   -4.113244    0.000000   -0.000000    0.000000
    8.302711   -3.362384   -3.362384   -3.362384    0.000000   -0.000000    0.000000
    8.562170   -2.879202   -2.879202   -2.879202    0.000000   -0.000000    0.000000
    8.821630   -2.644204   -2.644204   -2.644204    0.000000   -0.000000    0.000000
    9.081090   -2.759824   -2.759824   -2.759824    0.000000   -0.000000    0.000000
    9.340550   -2.475382   -2.475382   -2.475382    0.000000   -0.000000    0.000000
    9.600009   -2.178963   -2.178963   -2.178963    0.000000   -0.000000    0.000000
    9.859469   -1.842328   -1.842328   -1.842328    0.000000   -0.000000    0.000000
   10.118929   -1.635387   -1.635387   -1.635387    0.000000   -0.000000    0.000000
   10.378388   -1.604068   -1.604068   -1.604068    0.000000   -0.000000    0.000000
   10.637848   -1.553045   -1.553045   -1.553045    0.000000   -0.000000    0.000000
   10.897308   -1.420097   -1.420097   -1.420097    0.000000   -0.000000    0.000000
   11.156768   -1.220205   -1.220205   -1.220205    0.000000   -0.000000    0.000000
   11.416227   -1.076410   -1.076410   -1.076410    0.000000   -0.000000    0.000000
   11.675687   -0.974631   -0.974631   -0.974631    0.000000   -0.000000    0.000000
   11.935147   -0.882818   -0.882818   -0.882818    0.000000   -0.000000    0.000000
   12.194606   -0.869443   -0.869443   -0.869443    0.000000   -0.000000    0.000000
   12.454066   -0.754416   -0.754416   -0.754416    0.000000   -0.000000    0.000000
   12.713526   -0.652690   -0.652690   -0.652690    0.000000   -0.000000    0.000000
   12.972986   -0.552483   -0.552483   -0.552483    0.000000   -0.000000    0.000000
   13.232445   -0.495602   -0.495602   -0.495602    0.000000   -0.000000    0.000000
   13.491905   -0.443337   -0.443337   -0.443337    0.000000   -0.000000    0.000000
   13.751365   -0.393361   -0.393361   -0.393361    0.000000   -0.000000    0.000000
   14.010824   -0.334473   -0.334473   -0.334473    0.000000   -0.000000    0.000000
   14.270284   -0.272291   -0.272291   -0.272291    0.000000   -0.000000    0.000000
   14.529744   -0.240186   -0.240186   -0.240186    0.000000   -0.000000    0.000000
   14.789204   -0.203113   -0.203113   -0.203113    0.000000   -0.000000    0.000000
   15.048663   -0.149060   -0.149060   -0.149060    0.000000   -0.000000    0.000000
   15.308123   -0.102124   -0.102124   -0.102124    0.000000   -0.000000    0.000000
   15.567583   -0.058874   -0.058874   -0.058874    0.000000   -0.000000    0.000000
   15.827042   -0.020253   -0.020253   -0.020253    0.000000   -0.000000    0.000000
   16.086502    0.019617    0.019617    0.019617    0.000000   -0.000000    0.000000
   16.345962    0.054585    0.054585    0.054585    0.000000   -0.000000    0.000000
   16.605422    0.090637    0.090637    0.090637    0.000000   -0.000000    0.000000
   16.864881    0.120800    0.120800    0.120800    0.000000   -0.000000    0.000000
   17.124341    0.152733    0.152733    0.152733    0.000000   -0.000000    0.000000
   17.383801    0.183023    0.183023    0.183023    0.000000   -0.000000    0.000000
   17.643260    0.210645    0.210645    0.210645    0.000000   -0.000000    0.000000
   17.902720    0.238065    0.238065    0.238065    0.000000   -0.000000    0.000000
   18.162180    0.263722    0.263722    0.263722    0.000000   -0.000000    0.000000
   18.421640    0.287656    0.287656    0.287656    0.000000   -0.000000    0.000000
   18.681099    0.310207    0.310207    0.310207    0.000000   -0.000000    0.000000
   18.940559    0.331532    0.331532    0.331532    0.000000   -0.000000    0.000000
   19.200019    0.351757    0.351757    0.351757    0.000000   -0.000000    0.000000
   19.459478    0.370982    0.370982    0.370982    0.000000   -0.000000    0.000000
   19.718938    0.389287    0.389287    0.389287    0.000000   -0.000000    0.000000
   19.978398    0.406740    0.406740    0.406740    0.000000   -0.000000    0.000000
   20.237858    0.423403    0.423403    0.423403    0.000000   -0.000000    0.000000
   20.497317    0.439329    0.439329    0.439329    0.000000   -0.000000    0.000000
   20.756777    0.454566    0.454566    0.454566    0.000000   -0.000000    0.000000
   21.016237    0.469156    0.469156    0.469156    0.000000   -0.000000    0.000000
   21.275696    0.483139    0.483139    0.483139    0.000000   -0.000000    0.000000
   21.535156    0.496552    0.496552    0.496552    0.000000   -0.000000    0.000000
   21.794616    0.509426    0.509426    0.509426    0.000000   -0.000000    0.000000
   22.054076    0.521792    0.521792    0.521792    0.000000   -0.000000    0.000000
   22.313535    0.533679    0.533679    0.533679    0.000000   -0.000000    0.000000
   22.572995    0.545111    0.545111    0.545111    0.000000   -0.000000    0.000000
   22.832455    0.556114    0.556114    0.556114    0.000000   -0.000000    0.000000
   23.091914    0.566709    0.566709    0.566709    0.000000   -0.000000    0.000000
   23.351374    0.576918    0.576918    0.576918    0.000000   -0.000000    0.000000
   23.610834    0.586759    0.586759    0.586759    0.000000   -0.000000    0.000000
   23.870294    0.596250    0.596250    0.596250    0.000000   -0.000000    0.000000
   24.129753    0.605410    0.605410    0.605410    0.000000   -0.000000    0.000000
   24.389213    0.614253    0.614253    0.614253    0.000000   -0.000000    0.000000
   24.648673    0.622794    0.622794    0.622794    0.000000   -0.000000    0.000000
   24.908132    0.631048    0.631048    0.631048    0.000000   -0.000000    0.000000
   25.167592    0.639028    0.639028    0.639028    0.000000   -0.000000    0.000000
   25.427052    0.646745    0.646745    0.646745    0.000000   -0.000000    0.000000
   25.686511    0.654212    0.654212    0.654212    0.000000   -0.000000    0.000000

 The outermost node in the dielectric function lies at epsilon=  16.0


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


    OPTICS:  cpu time    1.0600: real time    1.0704
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP MPI-rank0    44825. kBytes
=======================================================================

   base      :      30000. kBytes
   nonl-proj :       5634. kBytes
   fftplans  :       2161. kBytes
   grid      :       1238. kBytes
   one-center:          6. kBytes
   wavefun   :       5786. kBytes

  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       21.712
                            User time (sec):       21.604
                          System time (sec):        0.108
                         Elapsed time (sec):       21.975
  
                   Maximum memory used (kb):       75644.
                   Average memory used (kb):           0.
  
                          Minor page faults:        11154
                          Major page faults:          374
                 Voluntary context switches:         1197
