 vasp.5.4.1 24Jun15 (build Jul 10 2017 15:18:27) complex                        
  
 executed on           IFC91_ompi date 2017.07.18  19:01:01
 running on   96 total cores
 distrk:  each k-point on   96 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=  12 cores,    8 groups


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


 INCAR:
 POTCAR:   PAW_PBE Ba_sv 06Sep2000                
 POTCAR:   PAW_PBE Ga_d 06Sep2000                 
 POTCAR:   PAW_PBE Ge_d 06Sep2000                 
 POTCAR:   PAW_PBE Ba_sv 06Sep2000                
   VRHFIN =Ba: 5s5p6s                                                           
   LEXCH  = PE                                                                  
   EATOM  =   700.2255 eV,   51.4651 Ry                                         
                                                                                
   TITEL  = PAW_PBE Ba_sv 06Sep2000                                             
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.400    partial core radius                                     
   POMASS =  137.327; ZVAL   =   10.000    mass and valenz                      
   RCORE  =    2.800    outmost cutoff radius                                   
   RWIGS  =    3.740; RWIGS  =    1.979    wigner-seitz radius (au A)           
   ENMAX  =  187.210; ENMIN  =  140.408 eV                                      
   RCLOC  =    2.516    cutoff for local pot                                    
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  351.165                                                            
   DEXC   =     .000                                                            
   RMAX   =    3.370    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.976    radius for radial grids                                 
   QCUT   =   -3.709; QGAM   =    7.419    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  2.800                                                     
     0   .000     23  2.800                                                     
     1   .000     23  2.700                                                     
     1  2.000     23  2.700                                                     
     2   .000     23  2.700                                                     
     2   .000     23  2.700                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:   PAW_PBE Ga_d 06Sep2000                 
   VRHFIN =Ga: s2p1                                                             
   LEXCH  = PE                                                                  
   EATOM  =  2149.0616 eV,  157.9516 Ry                                         
                                                                                
   TITEL  = PAW_PBE Ga_d 06Sep2000                                              
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   69.723; ZVAL   =   13.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.300; RWIGS  =    1.217    wigner-seitz radius (au A)           
   ENMAX  =  282.697; ENMIN  =  212.022 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  490.690                                                            
   DEXC   =    -.001                                                            
   RMAX   =    2.742    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.413    radius for radial grids                                 
   QCUT   =   -4.558; QGAM   =    9.117    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     2   .000     23  2.300                                                     
     2  -.400     23  2.300                                                     
     0   .000     23  2.300                                                     
     0   .000     23  2.300                                                     
     1   .000     23  2.300                                                     
     1   .000     23  2.300                                                     
     3  -.100      7  2.300                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 
 POTCAR:   PAW_PBE Ge_d 06Sep2000                 
   VRHFIN =Ge: 3d4s4p                                                           
   LEXCH  = PE                                                                  
   EATOM  =  2596.4246 eV,  190.8318 Ry                                         
                                                                                
   TITEL  = PAW_PBE Ge_d 06Sep2000                                              
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    2.000    partial core radius                                     
   POMASS =   72.610; ZVAL   =   14.000    mass and valenz                      
   RCORE  =    2.300    outmost cutoff radius                                   
   RWIGS  =    2.300; RWIGS  =    1.217    wigner-seitz radius (au A)           
   ENMAX  =  287.568; ENMIN  =  215.676 eV                                      
   ICORE  =        3    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  531.356                                                            
   DEXC   =     .000                                                            
   RMAX   =    2.719    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    2.318    radius for radial grids                                 
   QCUT   =   -4.597; QGAM   =    9.195    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     2   .000     23  2.300                                                     
     2  -.100     23  2.300                                                     
     0   .000     23  2.300                                                     
     0   .000     23  2.300                                                     
     1   .000     23  2.300                                                     
     1   .000     23  2.300                                                     
     3  -.100      7  2.300                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           2  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           6
   number of lm-projection operators is LMMAX =          18
 

 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection operators      |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: If you want to do a very accurate calculations keep the          |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

 PAW_PBE Ba_sv 06Sep2000                :
 energy of atom  1       EATOM= -700.2255
 kinetic energy error for atom=    0.0026 (will be added to EATOM!!)
 PAW_PBE Ga_d 06Sep2000                 :
 energy of atom  2       EATOM=-2149.0616
 kinetic energy error for atom=    0.0252 (will be added to EATOM!!)
 PAW_PBE Ge_d 06Sep2000                 :
 energy of atom  3       EATOM=-2596.4246
 kinetic energy error for atom=    0.0208 (will be added to EATOM!!)
 
 
 POSCAR: Disp. Num. 1 ( 25.000000 Angstrom, 1 : ,
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-  10 3.51  18 3.51  11 3.51  19 3.51  12 3.54  20 3.54  17 3.54   9 3.54
                            31 3.57  34 3.57  39 3.60  40 3.60  41 3.60  42 3.60  35 3.60  36 3.60
   2  0.500  0.500  0.500-  13 3.51  21 3.51  15 3.51  23 3.51  22 3.54  14 3.54  16 3.54  24 3.54
                            48 3.57  49 3.57  45 3.60  46 3.60  43 3.60  44 3.60  51 3.60  52 3.60
   3  0.250  0.500  0.000-  48 3.65  49 3.65  31 3.65  34 3.65  47 3.74  50 3.74  33 3.74  32 3.74

   4  0.750  0.500  0.000-  48 3.65  49 3.65  31 3.65  34 3.65  47 3.74  50 3.74  33 3.74  32 3.74

   5  0.000  0.250  0.595-  33 3.10  11 3.22  18 3.22  30 3.28  36 3.36  38 3.36  45 3.48  46 3.48
                            21 3.61  15 3.61
   6  0.000  0.750  0.405-  32 3.10  19 3.22  10 3.22  29 3.28  35 3.36  37 3.36  43 3.48  44 3.48
                            13 3.61  23 3.61
   7  0.500  0.905  0.250-  47 3.10  23 3.22  13 3.22  28 3.28  51 3.36  53 3.36  42 3.48  41 3.48
                            10 3.61  19 3.61
   8  0.500  0.095  0.750-  50 3.10  15 3.22  21 3.22  27 3.28  52 3.36  54 3.36  40 3.48  39 3.48
                            18 3.61  11 3.61
   9  0.185  0.194  0.181-  14 2.41  35 2.50  31 2.51  39 2.52   1 3.54
  10  0.814  0.822  0.190-  13 2.47  42 2.56  32 2.57  37 2.58   6 3.22   1 3.51   7 3.61
  11  0.814  0.178  0.810-  15 2.47  40 2.56  33 2.57  38 2.58   5 3.22   1 3.51   8 3.61
  12  0.185  0.806  0.819-  16 2.41  36 2.50  34 2.51  41 2.52   1 3.54
  13  0.686  0.690  0.322-  10 2.47  43 2.56  47 2.57  51 2.58   7 3.22   2 3.51   6 3.61
  14  0.315  0.319  0.306-   9 2.41  54 2.50  49 2.51  44 2.52   2 3.54
  15  0.686  0.310  0.678-  11 2.47  45 2.56  50 2.57  52 2.58   8 3.22   2 3.51   5 3.61
  16  0.315  0.681  0.694-  12 2.41  53 2.50  48 2.51  46 2.52   2 3.54
  17  0.815  0.806  0.819-  22 2.41  38 2.50  34 2.51  42 2.52   1 3.54
  18  0.186  0.178  0.810-  21 2.47  39 2.56  33 2.57  36 2.58   5 3.22   1 3.51   8 3.61
  19  0.186  0.822  0.190-  23 2.47  41 2.56  32 2.57  35 2.58   6 3.22   1 3.51   7 3.61
  20  0.815  0.194  0.181-  24 2.41  37 2.50  31 2.51  40 2.52   1 3.54
  21  0.314  0.310  0.678-  18 2.47  46 2.56  50 2.57  54 2.58   8 3.22   2 3.51   5 3.61
  22  0.685  0.681  0.694-  17 2.41  51 2.50  48 2.51  45 2.52   2 3.54
  23  0.314  0.690  0.322-  19 2.47  44 2.56  47 2.57  53 2.58   7 3.22   2 3.51   6 3.61
  24  0.685  0.319  0.306-  20 2.41  52 2.50  49 2.51  43 2.52   2 3.54
  25  0.250  0.000  0.500-  53 2.57  54 2.57  35 2.57  36 2.57
  26  0.750  0.000  0.500-  51 2.57  52 2.57  37 2.57  38 2.57
  27  0.500  0.250  0.006-  39 2.57  40 2.57  49 2.57  50 2.57   8 3.28
  28  0.500  0.750  0.994-  41 2.57  42 2.57  48 2.57  47 2.57   7 3.28
  29  0.000  0.494  0.250-  43 2.57  44 2.57  31 2.57  32 2.57   6 3.28
  30  0.000  0.506  0.750-  45 2.57  46 2.57  34 2.57  33 2.57   5 3.28
  31  0.000  0.308  0.108-   9 2.51  20 2.51  29 2.57  33 2.58   1 3.57   3 3.65   4 3.65
  32  0.000  0.694  0.127-  29 2.57  19 2.57  10 2.57  34 2.58   6 3.10   1 3.63   4 3.74   3 3.74

  33  0.000  0.306  0.873-  30 2.57  11 2.57  18 2.57  31 2.58   5 3.10   1 3.63   4 3.74   3 3.74

  34  0.000  0.692  0.892-  17 2.51  12 2.51  30 2.57  32 2.58   1 3.57   3 3.65   4 3.65
  35  0.118  0.015  0.307-   9 2.50  25 2.57  37 2.58  19 2.58   6 3.36   1 3.60
  36  0.118  0.985  0.693-  12 2.50  25 2.57  38 2.58  18 2.58   5 3.36   1 3.60
  37  0.882  0.015  0.307-  20 2.50  26 2.57  35 2.58  10 2.58   6 3.36   1 3.60
  38  0.882  0.985  0.693-  17 2.50  26 2.57  36 2.58  11 2.58   5 3.36   1 3.60
  39  0.307  0.118  0.001-   9 2.52  18 2.56  27 2.57  41 2.58   8 3.48   1 3.60
  40  0.693  0.118  0.001-  20 2.52  11 2.56  27 2.57  42 2.58   8 3.48   1 3.60
  41  0.307  0.882  0.999-  12 2.52  19 2.56  28 2.57  39 2.58   7 3.48   1 3.60
  42  0.693  0.882  0.999-  17 2.52  10 2.56  28 2.57  40 2.58   7 3.48   1 3.60
  43  0.807  0.499  0.382-  24 2.52  13 2.56  29 2.57  45 2.58   6 3.48   2 3.60
  44  0.193  0.499  0.382-  14 2.52  23 2.56  29 2.57  46 2.58   6 3.48   2 3.60
  45  0.807  0.501  0.618-  22 2.52  15 2.56  30 2.57  43 2.58   5 3.48   2 3.60
  46  0.193  0.501  0.618-  16 2.52  21 2.56  30 2.57  44 2.58   5 3.48   2 3.60
  47  0.500  0.627  0.194-  28 2.57  23 2.57  13 2.57  49 2.58   7 3.10   2 3.63   4 3.74   3 3.74

  48  0.500  0.608  0.808-  16 2.51  22 2.51  28 2.57  50 2.58   2 3.57   3 3.65   4 3.65
  49  0.500  0.392  0.192-  24 2.51  14 2.51  27 2.57  47 2.58   2 3.57   3 3.65   4 3.65
  50  0.500  0.373  0.806-  27 2.57  15 2.57  21 2.57  48 2.58   8 3.10   2 3.63   4 3.74   3 3.74

  51  0.618  0.807  0.515-  22 2.50  26 2.57  53 2.58  13 2.58   7 3.36   2 3.60
  52  0.618  0.193  0.485-  24 2.50  26 2.57  54 2.58  15 2.58   8 3.36   2 3.60
  53  0.382  0.807  0.515-  16 2.50  25 2.57  51 2.58  23 2.58   7 3.36   2 3.60
  54  0.382  0.193  0.485-  14 2.50  25 2.57  52 2.58  21 2.58   8 3.36   2 3.60
 
  LATTYP: Found a simple cubic cell.
 ALAT       =    10.9540000000
  
  Lattice vectors:
  
 A1 = (  10.9540000000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  10.9540000000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  10.9540000000)


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 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_2h.
 The point group associated with its full space group is D_2h.


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 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  8 space group operations
 (whereof  4 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry C_2h.
 The point group associated with its full space group is D_2h.


 Subroutine INISYM returns: Found  8 space group operations
 (whereof  4 operations are pure point group operations),
 and found     1 'primitive' translations

 
 
 KPOINTS: 4x4x4 Monkhorst-Pack grid               

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     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    3     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
    5     1.000000   180.000000     0.000000     0.707107     0.707107     0.500000     0.500000     0.500000
    6    -1.000000   180.000000     0.000000     0.707107     0.707107     0.500000     0.500000     0.500000
    7     1.000000   180.000000     0.000000    -0.707107     0.707107     0.500000     0.500000     0.500000
    8    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.500000     0.500000     0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     12 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.125000  0.125000  0.125000      4.000000
  0.375000  0.125000  0.125000      4.000000
  0.125000  0.375000  0.125000      8.000000
  0.375000  0.375000  0.125000      8.000000
  0.125000 -0.375000  0.125000      8.000000
  0.375000 -0.375000  0.125000      8.000000
  0.125000 -0.125000  0.125000      4.000000
  0.375000 -0.125000  0.125000      4.000000
  0.125000  0.375000  0.375000      4.000000
  0.375000  0.375000  0.375000      4.000000
  0.125000 -0.375000  0.375000      4.000000
  0.375000 -0.375000  0.375000      4.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.011411  0.011411  0.011411      4.000000
  0.034234  0.011411  0.011411      4.000000
  0.011411  0.034234  0.011411      8.000000
  0.034234  0.034234  0.011411      8.000000
  0.011411 -0.034234  0.011411      8.000000
  0.034234 -0.034234  0.011411      8.000000
  0.011411 -0.011411  0.011411      4.000000
  0.034234 -0.011411  0.011411      4.000000
  0.011411  0.034234  0.034234      4.000000
  0.034234  0.034234  0.034234      4.000000
  0.011411 -0.034234  0.034234      4.000000
  0.034234 -0.034234  0.034234      4.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =     12   k-points in BZ     NKDIM =     12   number of bands    NBANDS=    424
   number of dos      NEDOS =    301   number of ions     NIONS =     54
   non local maximal  LDIM  =      6   non local SUM 2l+1 LMDIM =     18
   total plane-waves  NPLWV = 262144
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX= 100064
   dimension x,y,z NGX =    64 NGY =   64 NGZ =   64
   dimension x,y,z NGXF=   128 NGYF=  128 NGZF=  128
   support grid    NGXF=   256 NGYF=  256 NGZF=  256
   ions per type =               8  16  30
 NGX,Y,Z   is equivalent  to a cutoff of   9.71,  9.71,  9.71 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  19.43, 19.43, 19.43 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    64 NGY =   64 NGZ =   64
 SYSTEM =  BGG_disp                                
 POSCAR =  Disp. Num. 1 ( 25.000000 Angstrom, 1 : ,

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    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  =  320.0 eV  23.52 Ry    4.85 a.u.  15.98 15.98 15.98*2*pi/ulx,y,z
   ENINI  =  320.0     initial cutoff
   ENAUG  =  531.4 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-08   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-07   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.274E-26a.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 = 137.33 69.72 72.61
  Ionic Valenz
   ZVAL   =  10.00 13.00 14.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00 -1.00
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00
   NELECT =     708.0000    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 =     2;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      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 =  0.59E-12  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      24.34       164.26
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.332027  2.517167 24.140779  1.774297
  Thomas-Fermi vector in A             =   2.460994
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

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

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



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


 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           70
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 2 SIGMA  =   0.20


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


  energy-cutoff  :      320.00
  volume of cell :     1314.37
      direct lattice vectors                 reciprocal lattice vectors
    10.954000000  0.000000000  0.000000000     0.091290853  0.000000000  0.000000000
     0.000000000 10.954000000  0.000000000     0.000000000  0.091290853  0.000000000
     0.000000000  0.000000000 10.954000000     0.000000000  0.000000000  0.091290853

  length of vectors
    10.954000000 10.954000000 10.954000000     0.091290853  0.091290853  0.091290853


 
 k-points in units of 2pi/SCALE and weight: 4x4x4 Monkhorst-Pack grid               
   0.01141136  0.01141136  0.01141136       0.062
   0.03423407  0.01141136  0.01141136       0.062
   0.01141136  0.03423407  0.01141136       0.125
   0.03423407  0.03423407  0.01141136       0.125
   0.01141136 -0.03423407  0.01141136       0.125
   0.03423407 -0.03423407  0.01141136       0.125
   0.01141136 -0.01141136  0.01141136       0.062
   0.03423407 -0.01141136  0.01141136       0.062
   0.01141136  0.03423407  0.03423407       0.062
   0.03423407  0.03423407  0.03423407       0.062
   0.01141136 -0.03423407  0.03423407       0.062
   0.03423407 -0.03423407  0.03423407       0.062
 
 k-points in reciprocal lattice and weights: 4x4x4 Monkhorst-Pack grid               
   0.12500000  0.12500000  0.12500000       0.062
   0.37500000  0.12500000  0.12500000       0.062
   0.12500000  0.37500000  0.12500000       0.125
   0.37500000  0.37500000  0.12500000       0.125
   0.12500000 -0.37500000  0.12500000       0.125
   0.37500000 -0.37500000  0.12500000       0.125
   0.12500000 -0.12500000  0.12500000       0.062
   0.37500000 -0.12500000  0.12500000       0.062
   0.12500000  0.37500000  0.37500000       0.062
   0.37500000  0.37500000  0.37500000       0.062
   0.12500000 -0.37500000  0.37500000       0.062
   0.37500000 -0.37500000  0.37500000       0.062
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.50000000
   0.25000000  0.50000000  0.00000000
   0.75000000  0.50000000  0.00000000
   0.00000000  0.25000000  0.59462799
   0.00000000  0.75000000  0.40537201
   0.50000000  0.90537201  0.25000000
   0.50000000  0.09462799  0.75000000
   0.18495623  0.19353323  0.18109074
   0.81350689  0.82208390  0.19035859
   0.81350689  0.17791633  0.80964141
   0.18495623  0.80646700  0.81890926
   0.68649311  0.69035859  0.32208390
   0.31504377  0.31890926  0.30646700
   0.68649311  0.30964141  0.67791633
   0.31504377  0.68109074  0.69353323
   0.81504377  0.80646677  0.81890926
   0.18649311  0.17791610  0.80964141
   0.18649311  0.82208367  0.19035859
   0.81504377  0.19353300  0.18109074
   0.31350689  0.30964141  0.67791610
   0.68495623  0.68109074  0.69353300
   0.31350689  0.69035859  0.32208367
   0.68495623  0.31890926  0.30646677
   0.25000000  0.00000000  0.50000000
   0.75000000  0.00000000  0.50000000
   0.50000000  0.25000000  0.00594828
   0.50000000  0.75000000  0.99405172
   0.00000000  0.49405172  0.25000000
   0.00000000  0.50594828  0.75000000
   0.00000000  0.30778749  0.10804704
   0.00000000  0.69419261  0.12748378
   0.00000000  0.30580739  0.87251622
   0.00000000  0.69221251  0.89195296
   0.11776541  0.01500571  0.30679744
   0.11776541  0.98499429  0.69320256
   0.88223459  0.01500571  0.30679744
   0.88223459  0.98499429  0.69320256
   0.30679744  0.11776541  0.00117035
   0.69320256  0.11776541  0.00117035
   0.30679744  0.88223459  0.99882965
   0.69320256  0.88223459  0.99882965
   0.80679744  0.49882965  0.38223459
   0.19320256  0.49882965  0.38223459
   0.80679744  0.50117035  0.61776541
   0.19320256  0.50117035  0.61776541
   0.50000000  0.62748378  0.19419261
   0.50000000  0.60804704  0.80778749
   0.50000000  0.39195296  0.19221251
   0.50000000  0.37251622  0.80580739
   0.61776541  0.80679744  0.51500571
   0.61776541  0.19320256  0.48499429
   0.38223459  0.80679744  0.51500571
   0.38223459  0.19320256  0.48499429
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   5.47700000  5.47700000  5.47700000
   2.73850000  5.47700000  0.00000000
   8.21550000  5.47700000  0.00000000
   0.00000000  2.73850000  6.51355500
   0.00000000  8.21550000  4.44044500
   5.47700000  9.91744500  2.73850000
   5.47700000  1.03655500  8.21550000
   2.02601050  2.11996300  1.98366800
   8.91115450  9.00510700  2.08518800
   8.91115450  1.94889550  8.86881200
   2.02601050  8.83403950  8.97033200
   7.51984550  7.56218800  3.52810700
   3.45098950  3.49333200  3.35703950
   7.51984550  3.39181200  7.42589550
   3.45098950  7.46066800  7.59696300
   8.92798950  8.83403700  8.97033200
   2.04284550  1.94889300  8.86881200
   2.04284550  9.00510450  2.08518800
   8.92798950  2.11996050  1.98366800
   3.43415450  3.39181200  7.42589300
   7.50301050  7.46066800  7.59696050
   3.43415450  7.56218800  3.52810450
   7.50301050  3.49333200  3.35703700
   2.73850000  0.00000000  5.47700000
   8.21550000  0.00000000  5.47700000
   5.47700000  2.73850000  0.06515750
   5.47700000  8.21550000 10.88884250
   0.00000000  5.41184250  2.73850000
   0.00000000  5.54215750  8.21550000
   0.00000000  3.37150414  1.18354732
   0.00000000  7.60418586  1.39645732
   0.00000000  3.34981414  9.55754268
   0.00000000  7.58249586  9.77045268
   1.29000232  0.16437250  3.36065914
   1.29000232 10.78962750  7.59334086
   9.66399768  0.16437250  3.36065914
   9.66399768 10.78962750  7.59334086
   3.36065914  1.29000232  0.01282000
   7.59334086  1.29000232  0.01282000
   3.36065914  9.66399768 10.94118000
   7.59334086  9.66399768 10.94118000
   8.83765914  5.46418000  4.18699768
   2.11634086  5.46418000  4.18699768
   8.83765914  5.48982000  6.76700232
   2.11634086  5.48982000  6.76700232
   5.47700000  6.87345732  2.12718586
   5.47700000  6.66054732  8.84850414
   5.47700000  4.29345268  2.10549586
   5.47700000  4.08054268  8.82681414
   6.76700232  8.83765914  5.64137250
   6.76700232  2.11634086  5.31262750
   4.18699768  8.83765914  5.64137250
   4.18699768  2.11634086  5.31262750
 


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


 k-point  1 :   0.1250 0.1250 0.1250  plane waves:   17068
 k-point  2 :   0.3750 0.1250 0.1250  plane waves:   17086
 k-point  3 :   0.1250 0.3750 0.1250  plane waves:   17086
 k-point  4 :   0.3750 0.3750 0.1250  plane waves:   17086
 k-point  5 :   0.1250-0.3750 0.1250  plane waves:   17086
 k-point  6 :   0.3750-0.3750 0.1250  plane waves:   17086
 k-point  7 :   0.1250-0.1250 0.1250  plane waves:   17068
 k-point  8 :   0.3750-0.1250 0.1250  plane waves:   17086
 k-point  9 :   0.1250 0.3750 0.3750  plane waves:   17086
 k-point 10 :   0.3750 0.3750 0.3750  plane waves:   17130
 k-point 11 :   0.1250-0.3750 0.3750  plane waves:   17086
 k-point 12 :   0.3750-0.3750 0.3750  plane waves:   17130

 maximum and minimum number of plane-waves per node :      1459     1386

 maximum number of plane-waves:     17130
 maximum index in each direction: 
   IXMAX=   15   IYMAX=   16   IZMAX=   15
   IXMIN=  -16   IYMIN=  -16   IZMIN=  -16

 NGX is ok and might be reduce to  64
 WARNING: aliasing errors must be expected set NGY to  66 to avoid them
 NGZ is ok and might be reduce to  64
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

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


 total amount of memory used by VASP on root node    61756. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       8660. kBytes
   fftplans  :       4361. kBytes
   grid      :       3110. kBytes
   one-center:         77. kBytes
   wavefun   :      15548. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0001
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 31   NGY = 31   NGZ = 31
  (NGX  =128   NGY  =128   NGZ  =128)
  gives a total of  29791 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron     708.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges         2561 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.162
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

 FEWALD executed in parallel
    FEWALD:  cpu time    0.0040: real time    0.0024


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


    POTLOK:  cpu time    0.0360: real time    0.0384
    SETDIJ:  cpu time    0.0360: real time    0.0361
     EDDAV:  cpu time    9.5926: real time    9.6198
       DOS:  cpu time    0.0040: real time    0.0028
    --------------------------------------------
      LOOP:  cpu time    9.6726: real time    9.7000

 eigenvalue-minimisations  : 10456
 total energy-change (2. order) : 0.1058943E+05  (-0.1803294E+05)
 number of electron     708.0000000 magnetization 
 augmentation part      708.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36333.57650330
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3407.70836179
  PAW double counting   =     74674.74662798   -93125.37054927
  entropy T*S    EENTRO =         0.00239315
  eigenvalues    EBANDS =      1269.72205371
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     10589.43349086 eV

  energy without entropy =    10589.43109771  energy(sigma->0) =    10589.43289257


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




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


     EDDAV:  cpu time    9.3446: real time    9.3703
       DOS:  cpu time    0.0040: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time    9.3486: real time    9.3773

 eigenvalue-minimisations  : 10176
 total energy-change (2. order) :-0.8175007E+04  (-0.7780201E+04)
 number of electron     708.0000000 magnetization 
 augmentation part      708.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36333.57650330
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3407.70836179
  PAW double counting   =     74674.74662798   -93125.37054927
  entropy T*S    EENTRO =         0.00554420
  eigenvalues    EBANDS =     -6905.28797841
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      2414.42660979 eV

  energy without entropy =     2414.42106559  energy(sigma->0) =     2414.42522374


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




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


     EDDAV:  cpu time    9.6086: real time    9.6374
       DOS:  cpu time    0.0040: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time    9.6126: real time    9.6445

 eigenvalue-minimisations  : 10368
 total energy-change (2. order) :-0.2251300E+04  (-0.2136223E+04)
 number of electron     708.0000000 magnetization 
 augmentation part      708.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36333.57650330
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3407.70836179
  PAW double counting   =     74674.74662798   -93125.37054927
  entropy T*S    EENTRO =         0.00632094
  eigenvalues    EBANDS =     -9156.58903708
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       163.12632786 eV

  energy without entropy =      163.12000692  energy(sigma->0) =      163.12474762


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




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


     EDDAV:  cpu time   10.3006: real time   10.3580
       DOS:  cpu time    0.0000: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time   10.3006: real time   10.3654

 eigenvalue-minimisations  : 11664
 total energy-change (2. order) :-0.3568673E+03  (-0.3403698E+03)
 number of electron     708.0000000 magnetization 
 augmentation part      708.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36333.57650330
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3407.70836179
  PAW double counting   =     74674.74662798   -93125.37054927
  entropy T*S    EENTRO =         0.01154446
  eigenvalues    EBANDS =     -9513.46154036
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -193.74095189 eV

  energy without entropy =     -193.75249635  energy(sigma->0) =     -193.74383801


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




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


     EDDAV:  cpu time   10.3566: real time   10.3860
       DOS:  cpu time    0.0040: real time    0.0037
    CHARGE:  cpu time    0.2680: real time    0.2712
    MIXING:  cpu time    0.0040: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   10.6367: real time   10.6668

 eigenvalue-minimisations  : 11768
 total energy-change (2. order) :-0.2509973E+02  (-0.2466398E+02)
 number of electron     708.0000020 magnetization 
 augmentation part      378.0590877 magnetization 

 Broyden mixing:
  rms(total) = 0.12448E+01    rms(broyden)= 0.12438E+01
  rms(prec ) = 0.17266E+01
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36333.57650330
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3407.70836179
  PAW double counting   =     74674.74662798   -93125.37054927
  entropy T*S    EENTRO =         0.00632884
  eigenvalues    EBANDS =     -9538.55605528
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -218.84068243 eV

  energy without entropy =     -218.84701128  energy(sigma->0) =     -218.84226465


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




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


    POTLOK:  cpu time    0.0360: real time    0.0369
    SETDIJ:  cpu time    0.0360: real time    0.0358
     EDDAV:  cpu time   13.4968: real time   13.5326
       DOS:  cpu time    0.0040: real time    0.0040
    CHARGE:  cpu time    0.2680: real time    0.2714
    MIXING:  cpu time    0.0040: real time    0.0017
    --------------------------------------------
      LOOP:  cpu time   13.8449: real time   13.8867

 eigenvalue-minimisations  : 16960
 total energy-change (2. order) : 0.1909900E+01  (-0.1956699E+01)
 number of electron     708.0000020 magnetization 
 augmentation part      377.3684865 magnetization 

 Broyden mixing:
  rms(total) = 0.65895E+00    rms(broyden)= 0.65888E+00
  rms(prec ) = 0.87325E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9662
  1.9662

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36283.62092662
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3402.08784140
  PAW double counting   =     75726.33424442   -94212.03905316
  entropy T*S    EENTRO =         0.00448319
  eigenvalues    EBANDS =     -9545.89847878
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.93078275 eV

  energy without entropy =     -216.93526594  energy(sigma->0) =     -216.93190355


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




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


    POTLOK:  cpu time    0.0360: real time    0.0367
    SETDIJ:  cpu time    0.0360: real time    0.0355
     EDDAV:  cpu time   10.6447: real time   10.6719
       DOS:  cpu time    0.0000: real time    0.0036
    CHARGE:  cpu time    0.2720: real time    0.2711
    MIXING:  cpu time    0.0000: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time   10.9887: real time   11.0244

 eigenvalue-minimisations  : 12272
 total energy-change (2. order) : 0.6616921E+00  (-0.4701007E+00)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4974258 magnetization 

 Broyden mixing:
  rms(total) = 0.17715E+00    rms(broyden)= 0.17711E+00
  rms(prec ) = 0.23591E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6893
  1.1390  2.2396

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36241.74842833
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3397.35840479
  PAW double counting   =     76827.03665459   -95361.23727871
  entropy T*S    EENTRO =         0.01261905
  eigenvalues    EBANDS =     -9533.89216879
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.26909060 eV

  energy without entropy =     -216.28170965  energy(sigma->0) =     -216.27224536


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




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


    POTLOK:  cpu time    0.0360: real time    0.0369
    SETDIJ:  cpu time    0.0360: real time    0.0356
     EDDAV:  cpu time   10.9287: real time   10.9597
       DOS:  cpu time    0.0040: real time    0.0037
    CHARGE:  cpu time    0.2680: real time    0.2701
    MIXING:  cpu time    0.0040: real time    0.0018
    --------------------------------------------
      LOOP:  cpu time   11.2807: real time   11.3117

 eigenvalue-minimisations  : 12768
 total energy-change (2. order) :-0.3119838E-01  (-0.8041987E-01)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4114446 magnetization 

 Broyden mixing:
  rms(total) = 0.60882E-01    rms(broyden)= 0.60858E-01
  rms(prec ) = 0.84757E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6270
  2.4100  1.0205  1.4506

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36237.28273502
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.68325046
  PAW double counting   =     77125.11078215   -95691.95603748
  entropy T*S    EENTRO =         0.01263509
  eigenvalues    EBANDS =     -9505.06929098
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.30028898 eV

  energy without entropy =     -216.31292408  energy(sigma->0) =     -216.30344776


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




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


    POTLOK:  cpu time    0.0360: real time    0.0369
    SETDIJ:  cpu time    0.0360: real time    0.0345
     EDDAV:  cpu time   11.3927: real time   11.4259
       DOS:  cpu time    0.0040: real time    0.0038
    CHARGE:  cpu time    0.2680: real time    0.2686
    MIXING:  cpu time    0.0040: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time   11.7407: real time   11.7764

 eigenvalue-minimisations  : 13528
 total energy-change (2. order) :-0.1183077E-01  (-0.1117656E-01)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4094822 magnetization 

 Broyden mixing:
  rms(total) = 0.30722E-01    rms(broyden)= 0.30716E-01
  rms(prec ) = 0.42288E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6687
  2.5938  1.9554  1.0628  1.0628

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36234.44838020
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.50802321
  PAW double counting   =     77163.51399892   -95735.06969188
  entropy T*S    EENTRO =         0.01265910
  eigenvalues    EBANDS =     -9503.02983571
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31211975 eV

  energy without entropy =     -216.32477885  energy(sigma->0) =     -216.31528453


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




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


    POTLOK:  cpu time    0.0360: real time    0.0370
    SETDIJ:  cpu time    0.0360: real time    0.0355
     EDDAV:  cpu time   11.8767: real time   11.9091
       DOS:  cpu time    0.0040: real time    0.0037
    CHARGE:  cpu time    0.2680: real time    0.2687
    MIXING:  cpu time    0.0040: real time    0.0021
    --------------------------------------------
      LOOP:  cpu time   12.2248: real time   12.2598

 eigenvalue-minimisations  : 14264
 total energy-change (2. order) :-0.5050624E-02  (-0.2030603E-02)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4053233 magnetization 

 Broyden mixing:
  rms(total) = 0.98172E-02    rms(broyden)= 0.98105E-02
  rms(prec ) = 0.14102E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6248
  2.7354  2.1414  1.1588  1.1588  0.9295

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36233.97086115
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.49975364
  PAW double counting   =     77156.52110785   -95729.83798077
  entropy T*S    EENTRO =         0.01253967
  eigenvalues    EBANDS =     -9501.74283642
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31717038 eV

  energy without entropy =     -216.32971005  energy(sigma->0) =     -216.32030530


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




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


    POTLOK:  cpu time    0.0360: real time    0.0369
    SETDIJ:  cpu time    0.0360: real time    0.0354
     EDDAV:  cpu time   10.8047: real time   10.8521
       DOS:  cpu time    0.0040: real time    0.0035
    CHARGE:  cpu time    0.2680: real time    0.2686
    MIXING:  cpu time    0.0040: real time    0.0025
    --------------------------------------------
      LOOP:  cpu time   11.1527: real time   11.2026

 eigenvalue-minimisations  : 11768
 total energy-change (2. order) :-0.1459682E-02  (-0.6704729E-03)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4069929 magnetization 

 Broyden mixing:
  rms(total) = 0.55312E-02    rms(broyden)= 0.55216E-02
  rms(prec ) = 0.77599E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6083
  2.7584  2.2612  1.2980  1.2980  1.0171  1.0171

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36235.03383306
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.52439171
  PAW double counting   =     77151.51743335   -95725.14481132
  entropy T*S    EENTRO =         0.01246848
  eigenvalues    EBANDS =     -9500.39538601
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31863006 eV

  energy without entropy =     -216.33109854  energy(sigma->0) =     -216.32174718


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




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


    POTLOK:  cpu time    0.0360: real time    0.0368
    SETDIJ:  cpu time    0.0360: real time    0.0345
     EDDAV:  cpu time   11.0247: real time   11.0537
       DOS:  cpu time    0.0040: real time    0.0034
    CHARGE:  cpu time    0.2640: real time    0.2666
    MIXING:  cpu time    0.0040: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time   11.3687: real time   11.4016

 eigenvalue-minimisations  : 12824
 total energy-change (2. order) :-0.2835926E-03  (-0.1249380E-03)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090293 magnetization 

 Broyden mixing:
  rms(total) = 0.21990E-02    rms(broyden)= 0.21770E-02
  rms(prec ) = 0.31198E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6322
  3.0079  2.5086  1.8702  1.1014  1.1014  0.9177  0.9177

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.21912646
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.55087109
  PAW double counting   =     77145.95141373   -95719.25886119
  entropy T*S    EENTRO =         0.01249446
  eigenvalues    EBANDS =     -9499.55681209
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31891365 eV

  energy without entropy =     -216.33140811  energy(sigma->0) =     -216.32203727


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




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


    POTLOK:  cpu time    0.0360: real time    0.0366
    SETDIJ:  cpu time    0.0360: real time    0.0348
     EDDAV:  cpu time   10.6727: real time   10.7035
       DOS:  cpu time    0.0040: real time    0.0036
    CHARGE:  cpu time    0.2680: real time    0.2698
    MIXING:  cpu time    0.0040: real time    0.0014
    --------------------------------------------
      LOOP:  cpu time   11.0207: real time   11.0537

 eigenvalue-minimisations  : 12304
 total energy-change (2. order) :-0.1016231E-03  (-0.4381056E-04)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4093420 magnetization 

 Broyden mixing:
  rms(total) = 0.95889E-03    rms(broyden)= 0.90777E-03
  rms(prec ) = 0.12896E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6412
  3.2593  2.4612  1.6871  1.6871  1.0934  1.0934  0.9240  0.9240

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.78254827
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56466734
  PAW double counting   =     77143.62854812   -95716.81824287
  entropy T*S    EENTRO =         0.01249681
  eigenvalues    EBANDS =     -9499.12504320
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31901528 eV

  energy without entropy =     -216.33151209  energy(sigma->0) =     -216.32213948


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




----------------------------------------- Iteration    1(  14)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0366
    SETDIJ:  cpu time    0.0360: real time    0.0357
     EDDAV:  cpu time   11.1567: real time   11.1873
       DOS:  cpu time    0.0040: real time    0.0040
    CHARGE:  cpu time    0.2680: real time    0.2694
    MIXING:  cpu time    0.0040: real time    0.0020
    --------------------------------------------
      LOOP:  cpu time   11.5047: real time   11.5391

 eigenvalue-minimisations  : 13112
 total energy-change (2. order) :-0.1264577E-04  (-0.4849477E-05)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090702 magnetization 

 Broyden mixing:
  rms(total) = 0.50522E-03    rms(broyden)= 0.40039E-03
  rms(prec ) = 0.53713E-03
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6483
  3.3491  2.5371  1.9334  1.9334  1.1206  1.1206  0.9842  0.9842  0.8725

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.84579017
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56693028
  PAW double counting   =     77143.26806498   -95716.38910445
  entropy T*S    EENTRO =         0.01248659
  eigenvalues    EBANDS =     -9499.13272196
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31902792 eV

  energy without entropy =     -216.33151452  energy(sigma->0) =     -216.32214957


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




----------------------------------------- Iteration    1(  15)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0368
    SETDIJ:  cpu time    0.0360: real time    0.0353
     EDDAV:  cpu time   10.4046: real time   10.4308
       DOS:  cpu time    0.0040: real time    0.0038
    CHARGE:  cpu time    0.2680: real time    0.2684
    MIXING:  cpu time    0.0000: real time    0.0019
    --------------------------------------------
      LOOP:  cpu time   10.7487: real time   10.7812

 eigenvalue-minimisations  : 11768
 total energy-change (2. order) :-0.4958172E-05  (-0.2829029E-05)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4091372 magnetization 

 Broyden mixing:
  rms(total) = 0.39755E-03    rms(broyden)= 0.25123E-03
  rms(prec ) = 0.30578E-03
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5958
  3.4173  2.5957  2.0522  1.6875  1.2027  1.2027  1.0981  0.9236  0.8892  0.8892

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.89467681
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56799896
  PAW double counting   =     77143.29651241   -95716.37118891
  entropy T*S    EENTRO =         0.01248480
  eigenvalues    EBANDS =     -9499.13127013
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903288 eV

  energy without entropy =     -216.33151768  energy(sigma->0) =     -216.32215408


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




----------------------------------------- Iteration    1(  16)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0366
    SETDIJ:  cpu time    0.0360: real time    0.0353
     EDDAV:  cpu time   11.6687: real time   11.6983
       DOS:  cpu time    0.0040: real time    0.0042
    CHARGE:  cpu time    0.2680: real time    0.2683
    MIXING:  cpu time    0.0000: real time    0.0022
    --------------------------------------------
      LOOP:  cpu time   12.0128: real time   12.0491

 eigenvalue-minimisations  : 13976
 total energy-change (2. order) :-0.4833273E-06  (-0.1924954E-06)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090810 magnetization 

 Broyden mixing:
  rms(total) = 0.32505E-03    rms(broyden)= 0.10387E-03
  rms(prec ) = 0.13439E-03
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6587
  3.6048  2.6774  2.1912  2.0507  1.5710  1.2426  1.0974  1.0974  0.8972  0.9078
  0.9078

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.91543308
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56853438
  PAW double counting   =     77143.34546811   -95716.42337478
  entropy T*S    EENTRO =         0.01248404
  eigenvalues    EBANDS =     -9499.10781884
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903336 eV

  energy without entropy =     -216.33151741  energy(sigma->0) =     -216.32215437


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




----------------------------------------- Iteration    1(  17)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0364
    SETDIJ:  cpu time    0.0320: real time    0.0350
     EDDAV:  cpu time   10.8447: real time   10.8719
       DOS:  cpu time    0.0040: real time    0.0038
    CHARGE:  cpu time    0.2640: real time    0.2675
    MIXING:  cpu time    0.0040: real time    0.0015
    --------------------------------------------
      LOOP:  cpu time   11.1887: real time   11.2200

 eigenvalue-minimisations  : 12568
 total energy-change (2. order) :-0.5648762E-06  (-0.7417945E-07)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090554 magnetization 

 Broyden mixing:
  rms(total) = 0.31236E-03    rms(broyden)= 0.51940E-04
  rms(prec ) = 0.66126E-04
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6295
  3.6202  2.7770  2.4340  1.7285  1.7285  1.2651  1.1235  1.1235  0.9615  0.8831
  0.9545  0.9545

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.92091703
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56872780
  PAW double counting   =     77143.42774025   -95716.51449449
  entropy T*S    EENTRO =         0.01248371
  eigenvalues    EBANDS =     -9499.09368097
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903393 eV

  energy without entropy =     -216.33151763  energy(sigma->0) =     -216.32215485


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




----------------------------------------- Iteration    1(  18)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0370
    SETDIJ:  cpu time    0.0360: real time    0.0349
     EDDAV:  cpu time   11.1687: real time   11.1978
       DOS:  cpu time    0.0040: real time    0.0037
    CHARGE:  cpu time    0.2640: real time    0.2668
    MIXING:  cpu time    0.0040: real time    0.0023
    --------------------------------------------
      LOOP:  cpu time   11.5127: real time   11.5466

 eigenvalue-minimisations  : 13128
 total energy-change (2. order) :-0.1410517E-06  (-0.5723448E-07)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090334 magnetization 

 Broyden mixing:
  rms(total) = 0.30894E-03    rms(broyden)= 0.23959E-04
  rms(prec ) = 0.30653E-04
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6382
  3.6401  2.8068  2.4619  1.7418  1.7418  1.6962  1.1840  1.1840  1.0401  1.0401
  0.8723  0.9437  0.9437

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.91926741
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56863153
  PAW double counting   =     77143.45302205   -95716.54062731
  entropy T*S    EENTRO =         0.01248381
  eigenvalues    EBANDS =     -9499.09438353
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903407 eV

  energy without entropy =     -216.33151788  energy(sigma->0) =     -216.32215502


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




----------------------------------------- Iteration    1(  19)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0367
    SETDIJ:  cpu time    0.0360: real time    0.0350
     EDDAV:  cpu time   10.3086: real time   10.3368
       DOS:  cpu time    0.0040: real time    0.0035
    CHARGE:  cpu time    0.2680: real time    0.2676
    MIXING:  cpu time    0.0000: real time    0.0026
    --------------------------------------------
      LOOP:  cpu time   10.6527: real time   10.6863

 eigenvalue-minimisations  : 11648
 total energy-change (2. order) :-0.4991307E-08  (-0.6272852E-08)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090296 magnetization 

 Broyden mixing:
  rms(total) = 0.30811E-03    rms(broyden)= 0.80132E-05
  rms(prec ) = 0.11037E-04
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6516
  3.6914  2.9741  2.4297  2.1775  1.9064  1.4558  1.4558  1.1287  1.1287  0.9901
  0.9901  0.8799  0.9570  0.9570

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.91704696
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56851267
  PAW double counting   =     77143.45640391   -95716.54203811
  entropy T*S    EENTRO =         0.01248374
  eigenvalues    EBANDS =     -9499.09845612
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903407 eV

  energy without entropy =     -216.33151782  energy(sigma->0) =     -216.32215501


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




----------------------------------------- Iteration    1(  20)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0365
    SETDIJ:  cpu time    0.0320: real time    0.0345
     EDDAV:  cpu time    8.9246: real time    8.9481
       DOS:  cpu time    0.0040: real time    0.0037
    CHARGE:  cpu time    0.2680: real time    0.2664
    MIXING:  cpu time    0.0000: real time    0.0025
    --------------------------------------------
      LOOP:  cpu time    9.2686: real time    9.2958

 eigenvalue-minimisations  :  9320
 total energy-change (2. order) :-0.2498564E-07  (-0.6385126E-08)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090270 magnetization 

 Broyden mixing:
  rms(total) = 0.30810E-03    rms(broyden)= 0.75798E-05
  rms(prec ) = 0.87118E-05
  weight for this iteration     100.00
  WARNING: grid for Broyden might be to small

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6082
  3.7037  3.0089  2.3290  2.3290  1.9742  1.4990  1.4990  1.1167  1.1167  0.9731
  0.9731  0.9624  0.9624  0.8821  0.7940

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.91640325
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56847678
  PAW double counting   =     77143.45966654   -95716.54529462
  entropy T*S    EENTRO =         0.01248376
  eigenvalues    EBANDS =     -9499.09907010
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903410 eV

  energy without entropy =     -216.33151786  energy(sigma->0) =     -216.32215504


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




----------------------------------------- Iteration    1(  21)  ---------------------------------------


    POTLOK:  cpu time    0.0360: real time    0.0366
    SETDIJ:  cpu time    0.0320: real time    0.0351
     EDDAV:  cpu time    7.2925: real time    7.3092
       DOS:  cpu time    0.0040: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    7.3685: real time    7.3881

 eigenvalue-minimisations  :  6392
 total energy-change (2. order) : 0.9458745E-09  (-0.5795689E-10)
 number of electron     708.0000020 magnetization 
 augmentation part      377.4090270 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      4778.91427652
  Ewald energy   TEWEN  =    -61961.19275405
  -Hartree energ DENC   =    -36236.91612352
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      3396.56846659
  PAW double counting   =     77143.45934368   -95716.54480354
  entropy T*S    EENTRO =         0.01248375
  eigenvalues    EBANDS =     -9499.09950785
  atomic energy  EATOM  =    117878.47958434
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =      -216.31903410 eV

  energy without entropy =     -216.33151785  energy(sigma->0) =     -216.32215504


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




 average (electrostatic) potential at core
  the test charge radii are     1.2192  1.0314  0.9911
  (the norm of the test charge is              1.0000)
       1 -37.3008       2 -37.3008       3 -38.2315       4 -38.2315       5 -37.5285
       6 -37.5285       7 -37.5285       8 -37.5285       9 -30.0802      10 -30.1717
      11 -30.1717      12 -30.0802      13 -30.1717      14 -30.0802      15 -30.1717
      16 -30.0802      17 -30.0802      18 -30.1717      19 -30.1717      20 -30.0802
      21 -30.1717      22 -30.0802      23 -30.1717      24 -30.0802      25 -31.7627
      26 -31.7627      27 -31.8478      28 -31.8478      29 -31.8478      30 -31.8478
      31 -31.4983      32 -31.5438      33 -31.5438      34 -31.4983      35 -31.3983
      36 -31.3983      37 -31.3983      38 -31.3983      39 -31.4028      40 -31.4028
      41 -31.4028      42 -31.4028      43 -31.4028      44 -31.4028      45 -31.4028
      46 -31.4028      47 -31.5438      48 -31.4983      49 -31.4983      50 -31.5438
      51 -31.3983      52 -31.3983      53 -31.3983      54 -31.3983
 
 
 
 E-fermi :   3.3056     XC(G=0):  -9.8585     alpha+bet : -9.1421


 k-point     1 :       0.1250    0.1250    0.1250
  band No.  band energies     occupation 
      1     -25.8260      2.00000
      2     -25.8250      2.00000
      3     -25.2271      2.00000
      4     -25.2268      2.00000
      5     -25.2266      2.00000
      6     -25.2263      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7875      2.00000
     10     -21.7875      2.00000
     11     -21.7868      2.00000
     12     -21.7868      2.00000
     13     -21.7787      2.00000
     14     -21.7787      2.00000
     15     -21.7771      2.00000
     16     -21.7771      2.00000
     17     -21.7713      2.00000
     18     -21.7712      2.00000
     19     -21.7699      2.00000
     20     -21.7698      2.00000
     21     -21.7444      2.00000
     22     -21.7444      2.00000
     23     -21.7425      2.00000
     24     -21.7425      2.00000
     25     -21.7419      2.00000
     26     -21.7419      2.00000
     27     -21.7415      2.00000
     28     -21.7415      2.00000
     29     -21.6927      2.00000
     30     -21.6898      2.00000
     31     -21.6895      2.00000
     32     -21.6890      2.00000
     33     -21.6879      2.00000
     34     -21.6865      2.00000
     35     -21.6624      2.00000
     36     -21.6613      2.00000
     37     -21.6526      2.00000
     38     -21.6510      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5361      2.00000
     43     -21.4793      2.00000
     44     -21.4792      2.00000
     45     -21.4729      2.00000
     46     -21.4729      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4576      2.00000
     51     -21.4400      2.00000
     52     -21.4400      2.00000
     53     -21.4392      2.00000
     54     -21.4392      2.00000
     55     -21.4313      2.00000
     56     -21.4311      2.00000
     57     -21.4291      2.00000
     58     -21.4289      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4128      2.00000
     62     -21.4128      2.00000
     63     -21.4119      2.00000
     64     -21.4119      2.00000
     65     -21.4098      2.00000
     66     -21.4098      2.00000
     67     -21.4063      2.00000
     68     -21.4062      2.00000
     69     -21.4056      2.00000
     70     -21.4010      2.00000
     71     -21.3896      2.00000
     72     -21.3896      2.00000
     73     -21.3885      2.00000
     74     -21.3885      2.00000
     75     -21.3881      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3878      2.00000
     79     -21.3796      2.00000
     80     -21.3795      2.00000
     81     -21.3783      2.00000
     82     -21.3782      2.00000
     83     -21.3597      2.00000
     84     -21.3594      2.00000
     85     -21.3591      2.00000
     86     -21.3568      2.00000
     87     -21.3565      2.00000
     88     -21.3543      2.00000
     89     -21.3539      2.00000
     90     -21.3506      2.00000
     91     -21.3503      2.00000
     92     -21.3470      2.00000
     93     -21.3392      2.00000
     94     -21.3388      2.00000
     95     -21.3301      2.00000
     96     -21.3300      2.00000
     97     -21.3289      2.00000
     98     -21.3289      2.00000
     99     -21.3261      2.00000
    100     -21.3260      2.00000
    101     -21.3248      2.00000
    102     -21.3237      2.00000
    103     -21.3073      2.00000
    104     -21.3029      2.00000
    105     -21.3029      2.00000
    106     -21.2999      2.00000
    107     -21.2999      2.00000
    108     -21.2996      2.00000
    109     -21.2995      2.00000
    110     -21.2969      2.00000
    111     -21.2957      2.00000
    112     -21.2956      2.00000
    113     -21.2944      2.00000
    114     -21.2944      2.00000
    115     -21.2934      2.00000
    116     -21.2933      2.00000
    117     -21.2926      2.00000
    118     -21.2913      2.00000
    119     -21.2905      2.00000
    120     -21.2902      2.00000
    121     -21.2901      2.00000
    122     -21.2898      2.00000
    123     -21.2888      2.00000
    124     -21.2880      2.00000
    125     -21.2878      2.00000
    126     -21.2863      2.00000
    127     -21.2861      2.00000
    128     -21.2856      2.00000
    129     -21.2837      2.00000
    130     -21.2825      2.00000
    131     -21.2825      2.00000
    132     -21.2819      2.00000
    133     -21.2817      2.00000
    134     -21.2812      2.00000
    135     -21.2807      2.00000
    136     -21.2806      2.00000
    137     -21.2799      2.00000
    138     -21.2779      2.00000
    139     -21.2773      2.00000
    140     -21.2772      2.00000
    141     -21.2756      2.00000
    142     -21.2743      2.00000
    143     -21.2700      2.00000
    144     -21.2700      2.00000
    145     -21.2687      2.00000
    146     -21.2687      2.00000
    147     -21.2665      2.00000
    148     -21.2656      2.00000
    149     -21.2639      2.00000
    150     -21.2632      2.00000
    151     -21.2486      2.00000
    152     -21.2485      2.00000
    153     -21.2476      2.00000
    154     -21.2476      2.00000
    155     -21.2439      2.00000
    156     -21.2435      2.00000
    157     -21.2433      2.00000
    158     -21.2423      2.00000
    159     -11.7911      2.00000
    160     -11.7826      2.00000
    161     -11.7814      2.00000
    162     -11.7765      2.00000
    163     -11.7279      2.00000
    164     -11.7212      2.00000
    165     -11.7194      2.00000
    166     -11.7179      2.00000
    167     -11.6770      2.00000
    168     -11.6740      2.00000
    169     -11.6717      2.00000
    170     -11.6688      2.00000
    171     -11.6575      2.00000
    172     -11.6558      2.00000
    173     -11.6517      2.00000
    174     -11.6498      2.00000
    175     -11.6128      2.00000
    176     -11.6114      2.00000
    177     -11.6045      2.00000
    178     -11.6024      2.00000
    179     -11.6002      2.00000
    180     -11.5982      2.00000
    181     -11.5915      2.00000
    182     -11.5908      2.00000
    183     -11.5893      2.00000
    184     -11.5892      2.00000
    185     -11.5865      2.00000
    186     -11.5830      2.00000
    187     -11.5789      2.00000
    188     -11.5759      2.00000
    189     -11.5741      2.00000
    190     -11.5729      2.00000
    191     -11.5716      2.00000
    192     -11.5695      2.00000
    193     -11.5662      2.00000
    194     -11.5662      2.00000
    195     -11.5614      2.00000
    196     -11.5611      2.00000
    197     -11.5575      2.00000
    198     -11.5568      2.00000
    199     -11.5076      2.00000
    200     -11.5066      2.00000
    201     -11.5062      2.00000
    202     -11.5058      2.00000
    203     -11.5035      2.00000
    204     -11.5019      2.00000
    205     -11.4937      2.00000
    206     -11.4937      2.00000
    207     -11.4822      2.00000
    208     -11.4793      2.00000
    209     -11.4782      2.00000
    210     -11.4780      2.00000
    211     -11.4735      2.00000
    212     -11.4721      2.00000
    213     -11.4649      2.00000
    214     -11.4645      2.00000
    215     -11.4633      2.00000
    216     -11.4625      2.00000
    217     -11.4591      2.00000
    218     -11.4551      2.00000
    219     -11.4525      2.00000
    220     -11.4521      2.00000
    221     -11.4505      2.00000
    222     -11.4493      2.00000
    223     -11.4193      2.00000
    224     -11.4128      2.00000
    225     -11.3967      2.00000
    226     -11.3905      2.00000
    227     -11.3561      2.00000
    228     -11.3558      2.00000
    229     -11.3513      2.00000
    230     -11.3476      2.00000
    231     -11.3436      2.00000
    232     -11.3431      2.00000
    233     -11.3421      2.00000
    234     -11.3414      2.00000
    235     -11.2816      2.00000
    236     -11.2745      2.00000
    237     -11.2700      2.00000
    238     -11.2679      2.00000
    239     -11.1510      2.00000
    240     -11.1265      2.00000
    241     -11.1019      2.00000
    242     -11.0956      2.00000
    243     -11.0756      2.00000
    244     -11.0594      2.00000
    245     -10.7902      2.00000
    246     -10.7834      2.00000
    247     -10.7783      2.00000
    248     -10.7655      2.00000
    249     -10.7031      2.00000
    250     -10.6734      2.00000
    251     -10.6632      2.00000
    252     -10.6572      2.00000
    253     -10.6507      2.00000
    254     -10.6195      2.00000
    255     -10.5672      2.00000
    256     -10.5520      2.00000
    257     -10.4280      2.00000
    258     -10.4268      2.00000
    259     -10.4123      2.00000
    260     -10.4032      2.00000
    261     -10.3906      2.00000
    262     -10.3788      2.00000
    263      -8.2462      2.00000
    264      -7.5649      2.00000
    265      -7.5153      2.00000
    266      -7.3913      2.00000
    267      -7.1667      2.00000
    268      -7.1546      2.00000
    269      -6.9175      2.00000
    270      -6.7157      2.00000
    271      -6.6531      2.00000
    272      -6.5319      2.00000
    273      -6.5141      2.00000
    274      -6.4778      2.00000
    275      -6.4097      2.00000
    276      -6.1401      2.00000
    277      -6.1396      2.00000
    278      -5.6219      2.00000
    279      -5.5909      2.00000
    280      -5.4354      2.00000
    281      -5.1216      2.00000
    282      -5.1195      2.00000
    283      -4.9986      2.00000
    284      -4.9952      2.00000
    285      -4.8244      2.00000
    286      -4.7787      2.00000
    287      -4.6474      2.00000
    288      -4.1278      2.00000
    289      -4.0970      2.00000
    290      -3.9304      2.00000
    291      -3.7971      2.00000
    292      -3.7471      2.00000
    293      -3.7203      2.00000
    294      -2.7765      2.00000
    295      -2.5906      2.00000
    296      -2.5856      2.00000
    297      -2.3759      2.00000
    298      -2.0655      2.00000
    299      -1.9254      2.00000
    300      -1.8730      2.00000
    301      -1.8112      2.00000
    302      -1.7245      2.00000
    303      -1.6701      2.00000
    304      -1.6482      2.00000
    305      -1.6144      2.00000
    306      -1.5567      2.00000
    307      -1.5521      2.00000
    308      -1.4186      2.00000
    309      -0.4500      2.00000
    310      -0.3245      2.00000
    311      -0.2465      2.00000
    312      -0.1990      2.00000
    313      -0.1948      2.00000
    314      -0.0590      2.00000
    315       0.0514      2.00000
    316       0.0723      2.00000
    317       0.2436      2.00000
    318       0.2485      2.00000
    319       0.3176      2.00000
    320       0.3880      2.00000
    321       0.4597      2.00000
    322       0.5991      2.00000
    323       0.6089      2.00000
    324       0.6343      2.00000
    325       0.6581      2.00000
    326       0.8235      2.00000
    327       0.8656      2.00000
    328       0.9065      2.00000
    329       0.9474      2.00000
    330       1.0323      2.00000
    331       1.1141      2.00000
    332       1.1931      2.00000
    333       1.2255      2.00000
    334       1.2495      2.00000
    335       1.3064      2.00000
    336       1.3333      2.00000
    337       1.4119      2.00000
    338       1.5585      2.00000
    339       1.5823      2.00000
    340       1.7602      2.00000
    341       1.8092      2.00000
    342       1.8800      2.00000
    343       1.9688      2.00000
    344       1.9747      2.00000
    345       2.0730      2.00000
    346       2.0959      2.00000
    347       2.1532      2.00000
    348       2.3112      2.00000
    349       2.5647      1.99999
    350       2.5684      1.99999
    351       2.5918      1.99997
    352       2.6951      1.99953
    353       2.7760      1.99745
    354       3.3473      0.57291
    355       3.3706      0.36567
    356       3.4116      0.08998
    357       3.7130      0.00985
    358       3.7318      0.00925
    359       3.8257      0.00300
    360       3.8777      0.00111
    361       3.8809      0.00104
    362       3.9363      0.00028
    363       4.0531      0.00001
    364       4.1278      0.00000
    365       4.2731      0.00000
    366       4.2774      0.00000
    367       4.3311      0.00000
    368       4.4568      0.00000
    369       4.4821      0.00000
    370       4.5723      0.00000
    371       4.5802      0.00000
    372       4.7233      0.00000
    373       4.7317      0.00000
    374       4.8567      0.00000
    375       4.9056      0.00000
    376       4.9385      0.00000
    377       5.0123      0.00000
    378       5.0704      0.00000
    379       5.0980      0.00000
    380       5.1639      0.00000
    381       5.2818      0.00000
    382       5.2831      0.00000
    383       5.2845      0.00000
    384       5.3509      0.00000
    385       5.3727      0.00000
    386       5.4686      0.00000
    387       5.5128      0.00000
    388       5.5622      0.00000
    389       5.5805      0.00000
    390       5.6322      0.00000
    391       5.6860      0.00000
    392       5.7528      0.00000
    393       5.8007      0.00000
    394       5.9075      0.00000
    395       5.9790      0.00000
    396       6.0043      0.00000
    397       6.0300      0.00000
    398       6.0738      0.00000
    399       6.0827      0.00000
    400       6.1734      0.00000
    401       6.1873      0.00000
    402       6.2633      0.00000
    403       6.3012      0.00000
    404       6.3472      0.00000
    405       6.3988      0.00000
    406       6.4989      0.00000
    407       6.5668      0.00000
    408       6.6738      0.00000
    409       6.6853      0.00000
    410       6.7463      0.00000
    411       6.7712      0.00000
    412       6.8629      0.00000
    413       6.8950      0.00000
    414       6.9061      0.00000
    415       6.9856      0.00000
    416       7.0712      0.00000
    417       7.1375      0.00000
    418       7.1392      0.00000
    419       7.2105      0.00000
    420       7.2651      0.00000
    421       7.2975      0.00000
    422       7.3920      0.00000
    423       7.4817      0.00000
    424       7.5361      0.00000

 k-point     2 :       0.3750    0.1250    0.1250
  band No.  band energies     occupation 
      1     -25.8257      2.00000
      2     -25.8253      2.00000
      3     -25.2270      2.00000
      4     -25.2268      2.00000
      5     -25.2266      2.00000
      6     -25.2264      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7875      2.00000
     10     -21.7875      2.00000
     11     -21.7868      2.00000
     12     -21.7868      2.00000
     13     -21.7787      2.00000
     14     -21.7787      2.00000
     15     -21.7771      2.00000
     16     -21.7771      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
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    349       2.2751      2.00000
    350       2.3467      2.00000
    351       2.4118      2.00000
    352       2.5421      1.99999
    353       2.6466      1.99987
    354       2.7592      1.99814
    355       3.4126      0.08508
    356       3.4873     -0.10143
    357       3.6047     -0.02251
    358       3.6374     -0.00336
    359       3.7514      0.00804
    360       3.7745      0.00633
    361       3.8466      0.00206
    362       3.9443      0.00023
    363       4.0240      0.00002
    364       4.0498      0.00001
    365       4.1700      0.00000
    366       4.2187      0.00000
    367       4.3268      0.00000
    368       4.3687      0.00000
    369       4.4699      0.00000
    370       4.5268      0.00000
    371       4.5586      0.00000
    372       4.6266      0.00000
    373       4.6995      0.00000
    374       4.8397      0.00000
    375       4.8887      0.00000
    376       4.9114      0.00000
    377       5.0687      0.00000
    378       5.0805      0.00000
    379       5.1409      0.00000
    380       5.2498      0.00000
    381       5.2900      0.00000
    382       5.3039      0.00000
    383       5.3670      0.00000
    384       5.4511      0.00000
    385       5.4853      0.00000
    386       5.4880      0.00000
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    392       5.8669      0.00000
    393       5.9549      0.00000
    394       5.9889      0.00000
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    396       6.0782      0.00000
    397       6.1370      0.00000
    398       6.1503      0.00000
    399       6.2233      0.00000
    400       6.2379      0.00000
    401       6.3324      0.00000
    402       6.3492      0.00000
    403       6.3975      0.00000
    404       6.4255      0.00000
    405       6.5228      0.00000
    406       6.5656      0.00000
    407       6.6130      0.00000
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    410       6.8223      0.00000
    411       6.8425      0.00000
    412       6.8827      0.00000
    413       6.9669      0.00000
    414       7.0415      0.00000
    415       7.0523      0.00000
    416       7.1020      0.00000
    417       7.1893      0.00000
    418       7.1961      0.00000
    419       7.2627      0.00000
    420       7.3229      0.00000
    421       7.3898      0.00000
    422       7.4087      0.00000
    423       7.4251      0.00000
    424       7.4973      0.00000

 k-point     5 :       0.1250   -0.3750    0.1250
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      2     -25.8250      2.00000
      3     -25.2271      2.00000
      4     -25.2269      2.00000
      5     -25.2265      2.00000
      6     -25.2264      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7878      2.00000
     10     -21.7875      2.00000
     11     -21.7868      2.00000
     12     -21.7863      2.00000
     13     -21.7787      2.00000
     14     -21.7785      2.00000
     15     -21.7775      2.00000
     16     -21.7771      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
     20     -21.7698      2.00000
     21     -21.7444      2.00000
     22     -21.7438      2.00000
     23     -21.7430      2.00000
     24     -21.7425      2.00000
     25     -21.7419      2.00000
     26     -21.7418      2.00000
     27     -21.7416      2.00000
     28     -21.7415      2.00000
     29     -21.6927      2.00000
     30     -21.6897      2.00000
     31     -21.6895      2.00000
     32     -21.6890      2.00000
     33     -21.6879      2.00000
     34     -21.6865      2.00000
     35     -21.6624      2.00000
     36     -21.6613      2.00000
     37     -21.6526      2.00000
     38     -21.6510      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5360      2.00000
     43     -21.4794      2.00000
     44     -21.4789      2.00000
     45     -21.4729      2.00000
     46     -21.4728      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4576      2.00000
     51     -21.4400      2.00000
     52     -21.4399      2.00000
     53     -21.4392      2.00000
     54     -21.4392      2.00000
     55     -21.4319      2.00000
     56     -21.4312      2.00000
     57     -21.4291      2.00000
     58     -21.4287      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4136      2.00000
     62     -21.4127      2.00000
     63     -21.4119      2.00000
     64     -21.4114      2.00000
     65     -21.4100      2.00000
     66     -21.4098      2.00000
     67     -21.4063      2.00000
     68     -21.4062      2.00000
     69     -21.4056      2.00000
     70     -21.4010      2.00000
     71     -21.3896      2.00000
     72     -21.3894      2.00000
     73     -21.3886      2.00000
     74     -21.3886      2.00000
     75     -21.3881      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3878      2.00000
     79     -21.3798      2.00000
     80     -21.3796      2.00000
     81     -21.3782      2.00000
     82     -21.3781      2.00000
     83     -21.3595      2.00000
     84     -21.3595      2.00000
     85     -21.3589      2.00000
     86     -21.3575      2.00000
     87     -21.3566      2.00000
     88     -21.3541      2.00000
     89     -21.3528      2.00000
     90     -21.3505      2.00000
     91     -21.3503      2.00000
     92     -21.3469      2.00000
     93     -21.3393      2.00000
     94     -21.3387      2.00000
     95     -21.3301      2.00000
     96     -21.3301      2.00000
     97     -21.3289      2.00000
     98     -21.3289      2.00000
     99     -21.3261      2.00000
    100     -21.3260      2.00000
    101     -21.3249      2.00000
    102     -21.3237      2.00000
    103     -21.3073      2.00000
    104     -21.3031      2.00000
    105     -21.3029      2.00000
    106     -21.2999      2.00000
    107     -21.2999      2.00000
    108     -21.2995      2.00000
    109     -21.2995      2.00000
    110     -21.2969      2.00000
    111     -21.2957      2.00000
    112     -21.2955      2.00000
    113     -21.2945      2.00000
    114     -21.2944      2.00000
    115     -21.2935      2.00000
    116     -21.2933      2.00000
    117     -21.2925      2.00000
    118     -21.2912      2.00000
    119     -21.2905      2.00000
    120     -21.2902      2.00000
    121     -21.2902      2.00000
    122     -21.2899      2.00000
    123     -21.2888      2.00000
    124     -21.2881      2.00000
    125     -21.2878      2.00000
    126     -21.2863      2.00000
    127     -21.2861      2.00000
    128     -21.2857      2.00000
    129     -21.2838      2.00000
    130     -21.2825      2.00000
    131     -21.2825      2.00000
    132     -21.2820      2.00000
    133     -21.2818      2.00000
    134     -21.2810      2.00000
    135     -21.2807      2.00000
    136     -21.2807      2.00000
    137     -21.2798      2.00000
    138     -21.2779      2.00000
    139     -21.2772      2.00000
    140     -21.2772      2.00000
    141     -21.2756      2.00000
    142     -21.2743      2.00000
    143     -21.2700      2.00000
    144     -21.2700      2.00000
    145     -21.2687      2.00000
    146     -21.2687      2.00000
    147     -21.2665      2.00000
    148     -21.2656      2.00000
    149     -21.2639      2.00000
    150     -21.2632      2.00000
    151     -21.2486      2.00000
    152     -21.2485      2.00000
    153     -21.2476      2.00000
    154     -21.2476      2.00000
    155     -21.2439      2.00000
    156     -21.2435      2.00000
    157     -21.2433      2.00000
    158     -21.2423      2.00000
    159     -11.7872      2.00000
    160     -11.7870      2.00000
    161     -11.7788      2.00000
    162     -11.7785      2.00000
    163     -11.7278      2.00000
    164     -11.7214      2.00000
    165     -11.7200      2.00000
    166     -11.7177      2.00000
    167     -11.6757      2.00000
    168     -11.6754      2.00000
    169     -11.6706      2.00000
    170     -11.6698      2.00000
    171     -11.6574      2.00000
    172     -11.6555      2.00000
    173     -11.6513      2.00000
    174     -11.6500      2.00000
    175     -11.6125      2.00000
    176     -11.6118      2.00000
    177     -11.6046      2.00000
    178     -11.6024      2.00000
    179     -11.5994      2.00000
    180     -11.5991      2.00000
    181     -11.5918      2.00000
    182     -11.5909      2.00000
    183     -11.5893      2.00000
    184     -11.5892      2.00000
    185     -11.5866      2.00000
    186     -11.5828      2.00000
    187     -11.5786      2.00000
    188     -11.5773      2.00000
    189     -11.5737      2.00000
    190     -11.5723      2.00000
    191     -11.5719      2.00000
    192     -11.5702      2.00000
    193     -11.5665      2.00000
    194     -11.5647      2.00000
    195     -11.5635      2.00000
    196     -11.5616      2.00000
    197     -11.5575      2.00000
    198     -11.5560      2.00000
    199     -11.5078      2.00000
    200     -11.5069      2.00000
    201     -11.5057      2.00000
    202     -11.5052      2.00000
    203     -11.5037      2.00000
    204     -11.5014      2.00000
    205     -11.4940      2.00000
    206     -11.4933      2.00000
    207     -11.4816      2.00000
    208     -11.4796      2.00000
    209     -11.4787      2.00000
    210     -11.4783      2.00000
    211     -11.4734      2.00000
    212     -11.4719      2.00000
    213     -11.4652      2.00000
    214     -11.4648      2.00000
    215     -11.4630      2.00000
    216     -11.4623      2.00000
    217     -11.4572      2.00000
    218     -11.4561      2.00000
    219     -11.4517      2.00000
    220     -11.4509      2.00000
    221     -11.4503      2.00000
    222     -11.4502      2.00000
    223     -11.4164      2.00000
    224     -11.4156      2.00000
    225     -11.3934      2.00000
    226     -11.3931      2.00000
    227     -11.3562      2.00000
    228     -11.3557      2.00000
    229     -11.3512      2.00000
    230     -11.3481      2.00000
    231     -11.3439      2.00000
    232     -11.3430      2.00000
    233     -11.3424      2.00000
    234     -11.3414      2.00000
    235     -11.2818      2.00000
    236     -11.2744      2.00000
    237     -11.2706      2.00000
    238     -11.2676      2.00000
    239     -11.1522      2.00000
    240     -11.1254      2.00000
    241     -11.1015      2.00000
    242     -11.0959      2.00000
    243     -11.0759      2.00000
    244     -11.0594      2.00000
    245     -10.7913      2.00000
    246     -10.7784      2.00000
    247     -10.7731      2.00000
    248     -10.7673      2.00000
    249     -10.7132      2.00000
    250     -10.6931      2.00000
    251     -10.6576      2.00000
    252     -10.6450      2.00000
    253     -10.6382      2.00000
    254     -10.6276      2.00000
    255     -10.5601      2.00000
    256     -10.5575      2.00000
    257     -10.4287      2.00000
    258     -10.4258      2.00000
    259     -10.4080      2.00000
    260     -10.4079      2.00000
    261     -10.3878      2.00000
    262     -10.3862      2.00000
    263      -8.0931      2.00000
    264      -7.8032      2.00000
    265      -7.4673      2.00000
    266      -7.3388      2.00000
    267      -7.2672      2.00000
    268      -7.1783      2.00000
    269      -6.8787      2.00000
    270      -6.7945      2.00000
    271      -6.5990      2.00000
    272      -6.5800      2.00000
    273      -6.5524      2.00000
    274      -6.4789      2.00000
    275      -6.3274      2.00000
    276      -6.1702      2.00000
    277      -5.9023      2.00000
    278      -5.5661      2.00000
    279      -5.4787      2.00000
    280      -5.3908      2.00000
    281      -5.2884      2.00000
    282      -5.2273      2.00000
    283      -4.9803      2.00000
    284      -4.9320      2.00000
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    286      -4.7624      2.00000
    287      -4.6974      2.00000
    288      -4.4217      2.00000
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    290      -4.0381      2.00000
    291      -3.5897      2.00000
    292      -3.5430      2.00000
    293      -3.5037      2.00000
    294      -3.1263      2.00000
    295      -2.5842      2.00000
    296      -2.5218      2.00000
    297      -2.2658      2.00000
    298      -2.1097      2.00000
    299      -1.8633      2.00000
    300      -1.8332      2.00000
    301      -1.7452      2.00000
    302      -1.7258      2.00000
    303      -1.7100      2.00000
    304      -1.6614      2.00000
    305      -1.6231      2.00000
    306      -1.5929      2.00000
    307      -1.5136      2.00000
    308      -1.4701      2.00000
    309      -0.4852      2.00000
    310      -0.4318      2.00000
    311      -0.3217      2.00000
    312      -0.2671      2.00000
    313      -0.1558      2.00000
    314      -0.1422      2.00000
    315       0.0073      2.00000
    316       0.1447      2.00000
    317       0.2383      2.00000
    318       0.3684      2.00000
    319       0.4288      2.00000
    320       0.4592      2.00000
    321       0.5077      2.00000
    322       0.5652      2.00000
    323       0.6338      2.00000
    324       0.7246      2.00000
    325       0.7463      2.00000
    326       0.7841      2.00000
    327       0.8282      2.00000
    328       0.9100      2.00000
    329       1.0060      2.00000
    330       1.1228      2.00000
    331       1.1513      2.00000
    332       1.1976      2.00000
    333       1.2676      2.00000
    334       1.3527      2.00000
    335       1.4350      2.00000
    336       1.4459      2.00000
    337       1.5532      2.00000
    338       1.6339      2.00000
    339       1.6603      2.00000
    340       1.7001      2.00000
    341       1.7496      2.00000
    342       1.7906      2.00000
    343       1.8015      2.00000
    344       1.9403      2.00000
    345       1.9538      2.00000
    346       2.0791      2.00000
    347       2.1568      2.00000
    348       2.2158      2.00000
    349       2.3398      2.00000
    350       2.3535      2.00000
    351       2.5898      1.99997
    352       2.6132      1.99995
    353       2.8328      1.99396
    354       3.0810      2.08872
    355       3.3370      0.67428
    356       3.5039     -0.10254
    357       3.5309     -0.08818
    358       3.7415      0.00870
    359       3.8413      0.00228
    360       3.8753      0.00116
    361       3.8896      0.00086
    362       3.9257      0.00037
    363       4.0100      0.00004
    364       4.0728      0.00000
    365       4.1050      0.00000
    366       4.1510      0.00000
    367       4.3127      0.00000
    368       4.3822      0.00000
    369       4.3909      0.00000
    370       4.4385      0.00000
    371       4.4716      0.00000
    372       4.6466      0.00000
    373       4.7609      0.00000
    374       4.8401      0.00000
    375       4.9494      0.00000
    376       4.9546      0.00000
    377       5.0146      0.00000
    378       5.1213      0.00000
    379       5.1565      0.00000
    380       5.2270      0.00000
    381       5.2665      0.00000
    382       5.3122      0.00000
    383       5.3252      0.00000
    384       5.4310      0.00000
    385       5.4604      0.00000
    386       5.5424      0.00000
    387       5.5550      0.00000
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    389       5.6424      0.00000
    390       5.7045      0.00000
    391       5.7548      0.00000
    392       5.7915      0.00000
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    394       5.9029      0.00000
    395       5.9239      0.00000
    396       6.0137      0.00000
    397       6.0447      0.00000
    398       6.0596      0.00000
    399       6.1181      0.00000
    400       6.2406      0.00000
    401       6.3014      0.00000
    402       6.3530      0.00000
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    414       7.0320      0.00000
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    417       7.1703      0.00000
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    421       7.3817      0.00000
    422       7.3961      0.00000
    423       7.4996      0.00000
    424       7.5726      0.00000

 k-point     6 :       0.3750   -0.3750    0.1250
  band No.  band energies     occupation 
      1     -25.8257      2.00000
      2     -25.8253      2.00000
      3     -25.2269      2.00000
      4     -25.2268      2.00000
      5     -25.2266      2.00000
      6     -25.2265      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7878      2.00000
     10     -21.7875      2.00000
     11     -21.7868      2.00000
     12     -21.7863      2.00000
     13     -21.7787      2.00000
     14     -21.7785      2.00000
     15     -21.7775      2.00000
     16     -21.7770      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
     20     -21.7699      2.00000
     21     -21.7444      2.00000
     22     -21.7438      2.00000
     23     -21.7430      2.00000
     24     -21.7425      2.00000
     25     -21.7419      2.00000
     26     -21.7418      2.00000
     27     -21.7416      2.00000
     28     -21.7415      2.00000
     29     -21.6918      2.00000
     30     -21.6905      2.00000
     31     -21.6896      2.00000
     32     -21.6893      2.00000
     33     -21.6874      2.00000
     34     -21.6869      2.00000
     35     -21.6621      2.00000
     36     -21.6616      2.00000
     37     -21.6521      2.00000
     38     -21.6515      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5360      2.00000
     43     -21.4794      2.00000
     44     -21.4789      2.00000
     45     -21.4729      2.00000
     46     -21.4728      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4577      2.00000
     51     -21.4400      2.00000
     52     -21.4399      2.00000
     53     -21.4392      2.00000
     54     -21.4392      2.00000
     55     -21.4319      2.00000
     56     -21.4312      2.00000
     57     -21.4290      2.00000
     58     -21.4287      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4136      2.00000
     62     -21.4128      2.00000
     63     -21.4119      2.00000
     64     -21.4115      2.00000
     65     -21.4100      2.00000
     66     -21.4098      2.00000
     67     -21.4063      2.00000
     68     -21.4062      2.00000
     69     -21.4043      2.00000
     70     -21.4024      2.00000
     71     -21.3896      2.00000
     72     -21.3894      2.00000
     73     -21.3886      2.00000
     74     -21.3886      2.00000
     75     -21.3881      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3878      2.00000
     79     -21.3798      2.00000
     80     -21.3796      2.00000
     81     -21.3782      2.00000
     82     -21.3781      2.00000
     83     -21.3594      2.00000
     84     -21.3590      2.00000
     85     -21.3576      2.00000
     86     -21.3567      2.00000
     87     -21.3546      2.00000
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     89     -21.3529      2.00000
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    423       7.4631      0.00000
    424       7.5567      0.00000

 k-point     9 :       0.1250    0.3750    0.3750
  band No.  band energies     occupation 
      1     -25.8260      2.00000
      2     -25.8250      2.00000
      3     -25.2270      2.00000
      4     -25.2269      2.00000
      5     -25.2265      2.00000
      6     -25.2264      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7878      2.00000
     10     -21.7878      2.00000
     11     -21.7864      2.00000
     12     -21.7863      2.00000
     13     -21.7785      2.00000
     14     -21.7785      2.00000
     15     -21.7775      2.00000
     16     -21.7775      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
     20     -21.7698      2.00000
     21     -21.7438      2.00000
     22     -21.7438      2.00000
     23     -21.7430      2.00000
     24     -21.7430      2.00000
     25     -21.7418      2.00000
     26     -21.7418      2.00000
     27     -21.7416      2.00000
     28     -21.7416      2.00000
     29     -21.6927      2.00000
     30     -21.6897      2.00000
     31     -21.6895      2.00000
     32     -21.6890      2.00000
     33     -21.6879      2.00000
     34     -21.6865      2.00000
     35     -21.6624      2.00000
     36     -21.6613      2.00000
     37     -21.6526      2.00000
     38     -21.6510      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5361      2.00000
     43     -21.4790      2.00000
     44     -21.4789      2.00000
     45     -21.4728      2.00000
     46     -21.4728      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4576      2.00000
     51     -21.4400      2.00000
     52     -21.4399      2.00000
     53     -21.4393      2.00000
     54     -21.4392      2.00000
     55     -21.4320      2.00000
     56     -21.4318      2.00000
     57     -21.4288      2.00000
     58     -21.4287      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4136      2.00000
     62     -21.4135      2.00000
     63     -21.4115      2.00000
     64     -21.4114      2.00000
     65     -21.4100      2.00000
     66     -21.4100      2.00000
     67     -21.4063      2.00000
     68     -21.4062      2.00000
     69     -21.4057      2.00000
     70     -21.4010      2.00000
     71     -21.3894      2.00000
     72     -21.3894      2.00000
     73     -21.3886      2.00000
     74     -21.3886      2.00000
     75     -21.3881      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3878      2.00000
     79     -21.3799      2.00000
     80     -21.3798      2.00000
     81     -21.3781      2.00000
     82     -21.3781      2.00000
     83     -21.3597      2.00000
     84     -21.3593      2.00000
     85     -21.3588      2.00000
     86     -21.3576      2.00000
     87     -21.3574      2.00000
     88     -21.3531      2.00000
     89     -21.3527      2.00000
     90     -21.3504      2.00000
     91     -21.3502      2.00000
     92     -21.3469      2.00000
     93     -21.3394      2.00000
     94     -21.3387      2.00000
     95     -21.3301      2.00000
     96     -21.3301      2.00000
     97     -21.3289      2.00000
     98     -21.3289      2.00000
     99     -21.3261      2.00000
    100     -21.3260      2.00000
    101     -21.3249      2.00000
    102     -21.3237      2.00000
    103     -21.3073      2.00000
    104     -21.3032      2.00000
    105     -21.3030      2.00000
    106     -21.2999      2.00000
    107     -21.2998      2.00000
    108     -21.2995      2.00000
    109     -21.2995      2.00000
    110     -21.2970      2.00000
    111     -21.2958      2.00000
    112     -21.2955      2.00000
    113     -21.2945      2.00000
    114     -21.2944      2.00000
    115     -21.2936      2.00000
    116     -21.2934      2.00000
    117     -21.2924      2.00000
    118     -21.2910      2.00000
    119     -21.2904      2.00000
    120     -21.2904      2.00000
    121     -21.2901      2.00000
    122     -21.2900      2.00000
    123     -21.2887      2.00000
    124     -21.2883      2.00000
    125     -21.2879      2.00000
    126     -21.2861      2.00000
    127     -21.2860      2.00000
    128     -21.2858      2.00000
    129     -21.2839      2.00000
    130     -21.2825      2.00000
    131     -21.2825      2.00000
    132     -21.2821      2.00000
    133     -21.2817      2.00000
    134     -21.2809      2.00000
    135     -21.2807      2.00000
    136     -21.2807      2.00000
    137     -21.2798      2.00000
    138     -21.2779      2.00000
    139     -21.2772      2.00000
    140     -21.2772      2.00000
    141     -21.2756      2.00000
    142     -21.2743      2.00000
    143     -21.2700      2.00000
    144     -21.2700      2.00000
    145     -21.2687      2.00000
    146     -21.2687      2.00000
    147     -21.2665      2.00000
    148     -21.2656      2.00000
    149     -21.2639      2.00000
    150     -21.2632      2.00000
    151     -21.2486      2.00000
    152     -21.2485      2.00000
    153     -21.2476      2.00000
    154     -21.2476      2.00000
    155     -21.2439      2.00000
    156     -21.2435      2.00000
    157     -21.2433      2.00000
    158     -21.2423      2.00000
    159     -11.7909      2.00000
    160     -11.7828      2.00000
    161     -11.7809      2.00000
    162     -11.7765      2.00000
    163     -11.7277      2.00000
    164     -11.7216      2.00000
    165     -11.7207      2.00000
    166     -11.7175      2.00000
    167     -11.6765      2.00000
    168     -11.6742      2.00000
    169     -11.6711      2.00000
    170     -11.6693      2.00000
    171     -11.6573      2.00000
    172     -11.6554      2.00000
    173     -11.6518      2.00000
    174     -11.6492      2.00000
    175     -11.6128      2.00000
    176     -11.6115      2.00000
    177     -11.6046      2.00000
    178     -11.6024      2.00000
    179     -11.6007      2.00000
    180     -11.5981      2.00000
    181     -11.5936      2.00000
    182     -11.5907      2.00000
    183     -11.5893      2.00000
    184     -11.5882      2.00000
    185     -11.5869      2.00000
    186     -11.5831      2.00000
    187     -11.5781      2.00000
    188     -11.5758      2.00000
    189     -11.5743      2.00000
    190     -11.5736      2.00000
    191     -11.5735      2.00000
    192     -11.5704      2.00000
    193     -11.5680      2.00000
    194     -11.5630      2.00000
    195     -11.5618      2.00000
    196     -11.5603      2.00000
    197     -11.5584      2.00000
    198     -11.5571      2.00000
    199     -11.5076      2.00000
    200     -11.5067      2.00000
    201     -11.5057      2.00000
    202     -11.5052      2.00000
    203     -11.5033      2.00000
    204     -11.5016      2.00000
    205     -11.4940      2.00000
    206     -11.4932      2.00000
    207     -11.4814      2.00000
    208     -11.4795      2.00000
    209     -11.4791      2.00000
    210     -11.4784      2.00000
    211     -11.4733      2.00000
    212     -11.4718      2.00000
    213     -11.4653      2.00000
    214     -11.4651      2.00000
    215     -11.4628      2.00000
    216     -11.4617      2.00000
    217     -11.4583      2.00000
    218     -11.4546      2.00000
    219     -11.4524      2.00000
    220     -11.4515      2.00000
    221     -11.4497      2.00000
    222     -11.4486      2.00000
    223     -11.4196      2.00000
    224     -11.4123      2.00000
    225     -11.3960      2.00000
    226     -11.3904      2.00000
    227     -11.3563      2.00000
    228     -11.3557      2.00000
    229     -11.3511      2.00000
    230     -11.3485      2.00000
    231     -11.3441      2.00000
    232     -11.3429      2.00000
    233     -11.3428      2.00000
    234     -11.3414      2.00000
    235     -11.2820      2.00000
    236     -11.2743      2.00000
    237     -11.2711      2.00000
    238     -11.2672      2.00000
    239     -11.1534      2.00000
    240     -11.1244      2.00000
    241     -11.1010      2.00000
    242     -11.0963      2.00000
    243     -11.0762      2.00000
    244     -11.0594      2.00000
    245     -10.7990      2.00000
    246     -10.7781      2.00000
    247     -10.7673      2.00000
    248     -10.7635      2.00000
    249     -10.6975      2.00000
    250     -10.6772      2.00000
    251     -10.6753      2.00000
    252     -10.6616      2.00000
    253     -10.6415      2.00000
    254     -10.6287      2.00000
    255     -10.5655      2.00000
    256     -10.5540      2.00000
    257     -10.4290      2.00000
    258     -10.4253      2.00000
    259     -10.4118      2.00000
    260     -10.4027      2.00000
    261     -10.3928      2.00000
    262     -10.3788      2.00000
    263      -7.9359      2.00000
    264      -7.7079      2.00000
    265      -7.6743      2.00000
    266      -7.4376      2.00000
    267      -7.3644      2.00000
    268      -7.1546      2.00000
    269      -6.9850      2.00000
    270      -6.9173      2.00000
    271      -6.5533      2.00000
    272      -6.5079      2.00000
    273      -6.4257      2.00000
    274      -6.2974      2.00000
    275      -6.2766      2.00000
    276      -6.1228      2.00000
    277      -5.8126      2.00000
    278      -5.5884      2.00000
    279      -5.5383      2.00000
    280      -5.5083      2.00000
    281      -5.4044      2.00000
    282      -5.1502      2.00000
    283      -5.0388      2.00000
    284      -4.9420      2.00000
    285      -4.8120      2.00000
    286      -4.7782      2.00000
    287      -4.6134      2.00000
    288      -4.3941      2.00000
    289      -4.3292      2.00000
    290      -4.0294      2.00000
    291      -3.8860      2.00000
    292      -3.4587      2.00000
    293      -3.2388      2.00000
    294      -3.1669      2.00000
    295      -2.5046      2.00000
    296      -2.4904      2.00000
    297      -2.1723      2.00000
    298      -2.0881      2.00000
    299      -1.9378      2.00000
    300      -1.9138      2.00000
    301      -1.8500      2.00000
    302      -1.7985      2.00000
    303      -1.7219      2.00000
    304      -1.6394      2.00000
    305      -1.6180      2.00000
    306      -1.5249      2.00000
    307      -1.5239      2.00000
    308      -1.4671      2.00000
    309      -0.4956      2.00000
    310      -0.4769      2.00000
    311      -0.3704      2.00000
    312      -0.3202      2.00000
    313      -0.2298      2.00000
    314      -0.1847      2.00000
    315       0.1436      2.00000
    316       0.1776      2.00000
    317       0.2915      2.00000
    318       0.3237      2.00000
    319       0.4611      2.00000
    320       0.5907      2.00000
    321       0.6479      2.00000
    322       0.6658      2.00000
    323       0.7102      2.00000
    324       0.7200      2.00000
    325       0.8132      2.00000
    326       0.8874      2.00000
    327       0.9266      2.00000
    328       0.9468      2.00000
    329       1.0810      2.00000
    330       1.1380      2.00000
    331       1.2120      2.00000
    332       1.2136      2.00000
    333       1.3039      2.00000
    334       1.3343      2.00000
    335       1.3417      2.00000
    336       1.4375      2.00000
    337       1.4592      2.00000
    338       1.5020      2.00000
    339       1.5765      2.00000
    340       1.6419      2.00000
    341       1.7632      2.00000
    342       1.7954      2.00000
    343       1.8793      2.00000
    344       1.9229      2.00000
    345       1.9548      2.00000
    346       2.1012      2.00000
    347       2.1490      2.00000
    348       2.2283      2.00000
    349       2.2886      2.00000
    350       2.3570      2.00000
    351       2.4509      2.00000
    352       2.6002      1.99996
    353       2.6213      1.99993
    354       2.7869      1.99693
    355       3.4009      0.14961
    356       3.4800     -0.09757
    357       3.5767     -0.04599
    358       3.5787     -0.04414
    359       3.6453     -0.00015
    360       3.8102      0.00386
    361       3.8561      0.00172
    362       3.9305      0.00033
    363       3.9405      0.00025
    364       4.0237      0.00002
    365       4.0305      0.00002
    366       4.0942      0.00000
    367       4.1654      0.00000
    368       4.2054      0.00000
    369       4.4094      0.00000
    370       4.4885      0.00000
    371       4.5685      0.00000
    372       4.6445      0.00000
    373       4.7756      0.00000
    374       4.8347      0.00000
    375       4.9393      0.00000
    376       4.9450      0.00000
    377       5.0392      0.00000
    378       5.1104      0.00000
    379       5.1373      0.00000
    380       5.2457      0.00000
    381       5.3018      0.00000
    382       5.3180      0.00000
    383       5.3322      0.00000
    384       5.4154      0.00000
    385       5.4451      0.00000
    386       5.5558      0.00000
    387       5.5841      0.00000
    388       5.6292      0.00000
    389       5.7200      0.00000
    390       5.7544      0.00000
    391       5.8020      0.00000
    392       5.8218      0.00000
    393       5.8302      0.00000
    394       5.9456      0.00000
    395       5.9668      0.00000
    396       6.0422      0.00000
    397       6.0760      0.00000
    398       6.1802      0.00000
    399       6.1973      0.00000
    400       6.3264      0.00000
    401       6.3827      0.00000
    402       6.3866      0.00000
    403       6.4217      0.00000
    404       6.5534      0.00000
    405       6.5987      0.00000
    406       6.6728      0.00000
    407       6.7221      0.00000
    408       6.7437      0.00000
    409       6.7717      0.00000
    410       6.7894      0.00000
    411       6.9821      0.00000
    412       7.0215      0.00000
    413       7.0376      0.00000
    414       7.0610      0.00000
    415       7.1411      0.00000
    416       7.1858      0.00000
    417       7.2241      0.00000
    418       7.2533      0.00000
    419       7.2990      0.00000
    420       7.3440      0.00000
    421       7.4081      0.00000
    422       7.4174      0.00000
    423       7.4770      0.00000
    424       7.5252      0.00000

 k-point    10 :       0.3750    0.3750    0.3750
  band No.  band energies     occupation 
      1     -25.8257      2.00000
      2     -25.8253      2.00000
      3     -25.2269      2.00000
      4     -25.2267      2.00000
      5     -25.2267      2.00000
      6     -25.2265      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7878      2.00000
     10     -21.7878      2.00000
     11     -21.7864      2.00000
     12     -21.7863      2.00000
     13     -21.7785      2.00000
     14     -21.7785      2.00000
     15     -21.7775      2.00000
     16     -21.7775      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
     20     -21.7699      2.00000
     21     -21.7438      2.00000
     22     -21.7438      2.00000
     23     -21.7430      2.00000
     24     -21.7430      2.00000
     25     -21.7418      2.00000
     26     -21.7418      2.00000
     27     -21.7416      2.00000
     28     -21.7416      2.00000
     29     -21.6918      2.00000
     30     -21.6905      2.00000
     31     -21.6896      2.00000
     32     -21.6893      2.00000
     33     -21.6874      2.00000
     34     -21.6869      2.00000
     35     -21.6621      2.00000
     36     -21.6616      2.00000
     37     -21.6521      2.00000
     38     -21.6515      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5361      2.00000
     43     -21.4790      2.00000
     44     -21.4790      2.00000
     45     -21.4728      2.00000
     46     -21.4728      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4577      2.00000
     51     -21.4399      2.00000
     52     -21.4399      2.00000
     53     -21.4392      2.00000
     54     -21.4392      2.00000
     55     -21.4319      2.00000
     56     -21.4318      2.00000
     57     -21.4288      2.00000
     58     -21.4287      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4135      2.00000
     62     -21.4135      2.00000
     63     -21.4115      2.00000
     64     -21.4114      2.00000
     65     -21.4100      2.00000
     66     -21.4100      2.00000
     67     -21.4062      2.00000
     68     -21.4062      2.00000
     69     -21.4043      2.00000
     70     -21.4024      2.00000
     71     -21.3894      2.00000
     72     -21.3894      2.00000
     73     -21.3886      2.00000
     74     -21.3886      2.00000
     75     -21.3880      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3879      2.00000
     79     -21.3799      2.00000
     80     -21.3798      2.00000
     81     -21.3781      2.00000
     82     -21.3781      2.00000
     83     -21.3591      2.00000
     84     -21.3590      2.00000
     85     -21.3576      2.00000
     86     -21.3575      2.00000
     87     -21.3546      2.00000
     88     -21.3531      2.00000
     89     -21.3529      2.00000
     90     -21.3502      2.00000
     91     -21.3502      2.00000
     92     -21.3465      2.00000
     93     -21.3446      2.00000
     94     -21.3412      2.00000
     95     -21.3301      2.00000
     96     -21.3301      2.00000
     97     -21.3289      2.00000
     98     -21.3289      2.00000
     99     -21.3259      2.00000
    100     -21.3257      2.00000
    101     -21.3254      2.00000
    102     -21.3252      2.00000
    103     -21.3031      2.00000
    104     -21.3031      2.00000
    105     -21.3002      2.00000
    106     -21.2999      2.00000
    107     -21.2998      2.00000
    108     -21.2995      2.00000
    109     -21.2993      2.00000
    110     -21.2983      2.00000
    111     -21.2976      2.00000
    112     -21.2948      2.00000
    113     -21.2945      2.00000
    114     -21.2943      2.00000
    115     -21.2943      2.00000
    116     -21.2921      2.00000
    117     -21.2917      2.00000
    118     -21.2914      2.00000
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    120     -21.2902      2.00000
    121     -21.2899      2.00000
    122     -21.2899      2.00000
    123     -21.2893      2.00000
    124     -21.2886      2.00000
    125     -21.2873      2.00000
    126     -21.2862      2.00000
    127     -21.2859      2.00000
    128     -21.2851      2.00000
    129     -21.2844      2.00000
    130     -21.2835      2.00000
    131     -21.2825      2.00000
    132     -21.2825      2.00000
    133     -21.2816      2.00000
    134     -21.2816      2.00000
    135     -21.2807      2.00000
    136     -21.2807      2.00000
    137     -21.2791      2.00000
    138     -21.2785      2.00000
    139     -21.2765      2.00000
    140     -21.2763      2.00000
    141     -21.2759      2.00000
    142     -21.2752      2.00000
    143     -21.2700      2.00000
    144     -21.2700      2.00000
    145     -21.2687      2.00000
    146     -21.2687      2.00000
    147     -21.2657      2.00000
    148     -21.2651      2.00000
    149     -21.2646      2.00000
    150     -21.2641      2.00000
    151     -21.2486      2.00000
    152     -21.2486      2.00000
    153     -21.2476      2.00000
    154     -21.2476      2.00000
    155     -21.2437      2.00000
    156     -21.2435      2.00000
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    321       0.5966      2.00000
    322       0.6363      2.00000
    323       0.6821      2.00000
    324       0.7257      2.00000
    325       0.8138      2.00000
    326       0.8452      2.00000
    327       0.9409      2.00000
    328       1.0021      2.00000
    329       1.0419      2.00000
    330       1.0543      2.00000
    331       1.1233      2.00000
    332       1.2081      2.00000
    333       1.2841      2.00000
    334       1.3008      2.00000
    335       1.3630      2.00000
    336       1.3997      2.00000
    337       1.5847      2.00000
    338       1.6236      2.00000
    339       1.6268      2.00000
    340       1.6933      2.00000
    341       1.7741      2.00000
    342       1.8097      2.00000
    343       1.8698      2.00000
    344       1.9510      2.00000
    345       2.0175      2.00000
    346       2.1108      2.00000
    347       2.1202      2.00000
    348       2.1310      2.00000
    349       2.2689      2.00000
    350       2.2702      2.00000
    351       2.4167      2.00000
    352       2.5661      1.99999
    353       2.6957      1.99953
    354       2.7715      1.99765
    355       3.3957      0.18196
    356       3.5195     -0.09604
    357       3.5529     -0.06864
    358       3.5828     -0.04044
    359       3.6486      0.00104
    360       3.7717      0.00654
    361       3.9279      0.00035
    362       3.9375      0.00027
    363       3.9865      0.00007
    364       3.9926      0.00006
    365       4.0392      0.00001
    366       4.1289      0.00000
    367       4.1859      0.00000
    368       4.3161      0.00000
    369       4.4472      0.00000
    370       4.4475      0.00000
    371       4.4558      0.00000
    372       4.6073      0.00000
    373       4.7373      0.00000
    374       4.7770      0.00000
    375       4.8457      0.00000
    376       4.9415      0.00000
    377       4.9534      0.00000
    378       5.0930      0.00000
    379       5.1474      0.00000
    380       5.2580      0.00000
    381       5.3293      0.00000
    382       5.3492      0.00000
    383       5.3514      0.00000
    384       5.3712      0.00000
    385       5.4521      0.00000
    386       5.5734      0.00000
    387       5.5782      0.00000
    388       5.6075      0.00000
    389       5.7375      0.00000
    390       5.7801      0.00000
    391       5.8261      0.00000
    392       5.8757      0.00000
    393       5.8865      0.00000
    394       5.9181      0.00000
    395       6.0738      0.00000
    396       6.0986      0.00000
    397       6.1398      0.00000
    398       6.1902      0.00000
    399       6.2510      0.00000
    400       6.2729      0.00000
    401       6.3712      0.00000
    402       6.3790      0.00000
    403       6.3877      0.00000
    404       6.4883      0.00000
    405       6.6300      0.00000
    406       6.6314      0.00000
    407       6.6610      0.00000
    408       6.7377      0.00000
    409       6.7578      0.00000
    410       6.8325      0.00000
    411       6.9065      0.00000
    412       6.9458      0.00000
    413       6.9927      0.00000
    414       7.0185      0.00000
    415       7.0460      0.00000
    416       7.0779      0.00000
    417       7.2178      0.00000
    418       7.2610      0.00000
    419       7.3810      0.00000
    420       7.4033      0.00000
    421       7.4541      0.00000
    422       7.4567      0.00000
    423       7.5144      0.00000
    424       7.6429      0.00000

 k-point    12 :       0.3750   -0.3750    0.3750
  band No.  band energies     occupation 
      1     -25.8257      2.00000
      2     -25.8253      2.00000
      3     -25.2269      2.00000
      4     -25.2268      2.00000
      5     -25.2266      2.00000
      6     -25.2266      2.00000
      7     -24.9809      2.00000
      8     -24.9809      2.00000
      9     -21.7878      2.00000
     10     -21.7878      2.00000
     11     -21.7864      2.00000
     12     -21.7863      2.00000
     13     -21.7785      2.00000
     14     -21.7785      2.00000
     15     -21.7775      2.00000
     16     -21.7775      2.00000
     17     -21.7713      2.00000
     18     -21.7713      2.00000
     19     -21.7699      2.00000
     20     -21.7699      2.00000
     21     -21.7438      2.00000
     22     -21.7438      2.00000
     23     -21.7430      2.00000
     24     -21.7430      2.00000
     25     -21.7418      2.00000
     26     -21.7418      2.00000
     27     -21.7416      2.00000
     28     -21.7416      2.00000
     29     -21.6918      2.00000
     30     -21.6905      2.00000
     31     -21.6896      2.00000
     32     -21.6893      2.00000
     33     -21.6874      2.00000
     34     -21.6869      2.00000
     35     -21.6621      2.00000
     36     -21.6616      2.00000
     37     -21.6521      2.00000
     38     -21.6515      2.00000
     39     -21.5393      2.00000
     40     -21.5393      2.00000
     41     -21.5361      2.00000
     42     -21.5361      2.00000
     43     -21.4790      2.00000
     44     -21.4790      2.00000
     45     -21.4728      2.00000
     46     -21.4728      2.00000
     47     -21.4584      2.00000
     48     -21.4583      2.00000
     49     -21.4577      2.00000
     50     -21.4577      2.00000
     51     -21.4399      2.00000
     52     -21.4399      2.00000
     53     -21.4392      2.00000
     54     -21.4392      2.00000
     55     -21.4319      2.00000
     56     -21.4318      2.00000
     57     -21.4288      2.00000
     58     -21.4287      2.00000
     59     -21.4147      2.00000
     60     -21.4147      2.00000
     61     -21.4136      2.00000
     62     -21.4135      2.00000
     63     -21.4115      2.00000
     64     -21.4114      2.00000
     65     -21.4100      2.00000
     66     -21.4100      2.00000
     67     -21.4062      2.00000
     68     -21.4062      2.00000
     69     -21.4043      2.00000
     70     -21.4024      2.00000
     71     -21.3894      2.00000
     72     -21.3894      2.00000
     73     -21.3886      2.00000
     74     -21.3886      2.00000
     75     -21.3880      2.00000
     76     -21.3880      2.00000
     77     -21.3879      2.00000
     78     -21.3879      2.00000
     79     -21.3799      2.00000
     80     -21.3798      2.00000
     81     -21.3781      2.00000
     82     -21.3781      2.00000
     83     -21.3592      2.00000
     84     -21.3589      2.00000
     85     -21.3576      2.00000
     86     -21.3575      2.00000
     87     -21.3546      2.00000
     88     -21.3531      2.00000
     89     -21.3529      2.00000
     90     -21.3503      2.00000
     91     -21.3502      2.00000
     92     -21.3465      2.00000
     93     -21.3446      2.00000
     94     -21.3412      2.00000
     95     -21.3301      2.00000
     96     -21.3301      2.00000
     97     -21.3289      2.00000
     98     -21.3289      2.00000
     99     -21.3259      2.00000
    100     -21.3257      2.00000
    101     -21.3254      2.00000
    102     -21.3252      2.00000
    103     -21.3031      2.00000
    104     -21.3031      2.00000
    105     -21.3002      2.00000
    106     -21.2999      2.00000
    107     -21.2998      2.00000
    108     -21.2995      2.00000
    109     -21.2993      2.00000
    110     -21.2983      2.00000
    111     -21.2976      2.00000
    112     -21.2948      2.00000
    113     -21.2945      2.00000
    114     -21.2943      2.00000
    115     -21.2943      2.00000
    116     -21.2921      2.00000
    117     -21.2917      2.00000
    118     -21.2914      2.00000
    119     -21.2903      2.00000
    120     -21.2901      2.00000
    121     -21.2899      2.00000
    122     -21.2899      2.00000
    123     -21.2893      2.00000
    124     -21.2886      2.00000
    125     -21.2873      2.00000
    126     -21.2862      2.00000
    127     -21.2858      2.00000
    128     -21.2851      2.00000
    129     -21.2844      2.00000
    130     -21.2835      2.00000
    131     -21.2825      2.00000
    132     -21.2825      2.00000
    133     -21.2817      2.00000
    134     -21.2816      2.00000
    135     -21.2807      2.00000
    136     -21.2807      2.00000
    137     -21.2791      2.00000
    138     -21.2785      2.00000
    139     -21.2765      2.00000
    140     -21.2763      2.00000
    141     -21.2759      2.00000
    142     -21.2752      2.00000
    143     -21.2700      2.00000
    144     -21.2700      2.00000
    145     -21.2687      2.00000
    146     -21.2687      2.00000
    147     -21.2657      2.00000
    148     -21.2651      2.00000
    149     -21.2646      2.00000
    150     -21.2641      2.00000
    151     -21.2486      2.00000
    152     -21.2486      2.00000
    153     -21.2476      2.00000
    154     -21.2476      2.00000
    155     -21.2437      2.00000
    156     -21.2435      2.00000
    157     -21.2432      2.00000
    158     -21.2427      2.00000
    159     -11.7871      2.00000
    160     -11.7846      2.00000
    161     -11.7806      2.00000
    162     -11.7796      2.00000
    163     -11.7256      2.00000
    164     -11.7209      2.00000
    165     -11.7206      2.00000
    166     -11.7202      2.00000
    167     -11.6773      2.00000
    168     -11.6765      2.00000
    169     -11.6743      2.00000
    170     -11.6737      2.00000
    171     -11.6529      2.00000
    172     -11.6528      2.00000
    173     -11.6511      2.00000
    174     -11.6501      2.00000
    175     -11.6102      2.00000
    176     -11.6093      2.00000
    177     -11.6059      2.00000
    178     -11.6048      2.00000
    179     -11.6006      2.00000
    180     -11.5990      2.00000
    181     -11.5949      2.00000
    182     -11.5945      2.00000
    183     -11.5879      2.00000
    184     -11.5859      2.00000
    185     -11.5800      2.00000
    186     -11.5791      2.00000
    187     -11.5765      2.00000
    188     -11.5754      2.00000
    189     -11.5729      2.00000
    190     -11.5716      2.00000
    191     -11.5710      2.00000
    192     -11.5700      2.00000
    193     -11.5686      2.00000
    194     -11.5667      2.00000
    195     -11.5639      2.00000
    196     -11.5633      2.00000
    197     -11.5615      2.00000
    198     -11.5602      2.00000
    199     -11.5067      2.00000
    200     -11.5051      2.00000
    201     -11.5045      2.00000
    202     -11.5042      2.00000
    203     -11.5021      2.00000
    204     -11.5018      2.00000
    205     -11.4982      2.00000
    206     -11.4974      2.00000
    207     -11.4798      2.00000
    208     -11.4784      2.00000
    209     -11.4782      2.00000
    210     -11.4771      2.00000
    211     -11.4713      2.00000
    212     -11.4705      2.00000
    213     -11.4677      2.00000
    214     -11.4674      2.00000
    215     -11.4597      2.00000
    216     -11.4581      2.00000
    217     -11.4557      2.00000
    218     -11.4551      2.00000
    219     -11.4538      2.00000
    220     -11.4526      2.00000
    221     -11.4526      2.00000
    222     -11.4514      2.00000
    223     -11.4113      2.00000
    224     -11.4087      2.00000
    225     -11.4000      2.00000
    226     -11.3988      2.00000
    227     -11.3529      2.00000
    228     -11.3513      2.00000
    229     -11.3493      2.00000
    230     -11.3482      2.00000
    231     -11.3459      2.00000
    232     -11.3455      2.00000
    233     -11.3450      2.00000
    234     -11.3440      2.00000
    235     -11.2785      2.00000
    236     -11.2724      2.00000
    237     -11.2720      2.00000
    238     -11.2716      2.00000
    239     -11.1278      2.00000
    240     -11.1161      2.00000
    241     -11.1045      2.00000
    242     -11.0938      2.00000
    243     -11.0889      2.00000
    244     -11.0835      2.00000
    245     -10.7904      2.00000
    246     -10.7811      2.00000
    247     -10.7670      2.00000
    248     -10.7662      2.00000
    249     -10.7049      2.00000
    250     -10.7015      2.00000
    251     -10.6665      2.00000
    252     -10.6628      2.00000
    253     -10.6067      2.00000
    254     -10.6039      2.00000
    255     -10.5764      2.00000
    256     -10.5738      2.00000
    257     -10.4280      2.00000
    258     -10.4262      2.00000
    259     -10.4126      2.00000
    260     -10.4092      2.00000
    261     -10.3877      2.00000
    262     -10.3837      2.00000
    263      -7.8207      2.00000
    264      -7.6063      2.00000
    265      -7.5856      2.00000
    266      -7.4938      2.00000
    267      -7.4081      2.00000
    268      -7.3931      2.00000
    269      -7.1844      2.00000
    270      -7.1392      2.00000
    271      -6.3521      2.00000
    272      -6.3339      2.00000
    273      -6.2430      2.00000
    274      -6.2361      2.00000
    275      -6.1211      2.00000
    276      -5.9841      2.00000
    277      -5.9529      2.00000
    278      -5.6176      2.00000
    279      -5.5905      2.00000
    280      -5.5279      2.00000
    281      -5.3456      2.00000
    282      -5.3032      2.00000
    283      -5.2321      2.00000
    284      -4.9972      2.00000
    285      -4.9496      2.00000
    286      -4.9478      2.00000
    287      -4.3084      2.00000
    288      -4.3083      2.00000
    289      -4.2623      2.00000
    290      -3.8656      2.00000
    291      -3.6729      2.00000
    292      -3.6477      2.00000
    293      -3.4574      2.00000
    294      -3.3757      2.00000
    295      -2.2983      2.00000
    296      -2.2903      2.00000
    297      -2.2360      2.00000
    298      -2.0217      2.00000
    299      -2.0158      2.00000
    300      -1.9692      2.00000
    301      -1.8906      2.00000
    302      -1.8107      2.00000
    303      -1.7449      2.00000
    304      -1.7308      2.00000
    305      -1.6749      2.00000
    306      -1.6278      2.00000
    307      -1.4215      2.00000
    308      -1.4144      2.00000
    309      -0.5357      2.00000
    310      -0.5347      2.00000
    311      -0.4622      2.00000
    312      -0.4409      2.00000
    313      -0.1679      2.00000
    314      -0.1432      2.00000
    315       0.3878      2.00000
    316       0.4368      2.00000
    317       0.4996      2.00000
    318       0.5278      2.00000
    319       0.5790      2.00000
    320       0.6307      2.00000
    321       0.6548      2.00000
    322       0.7439      2.00000
    323       0.7585      2.00000
    324       0.8802      2.00000
    325       0.9006      2.00000
    326       0.9011      2.00000
    327       0.9717      2.00000
    328       1.0154      2.00000
    329       1.0234      2.00000
    330       1.1019      2.00000
    331       1.1364      2.00000
    332       1.1491      2.00000
    333       1.1914      2.00000
    334       1.2401      2.00000
    335       1.3459      2.00000
    336       1.3859      2.00000
    337       1.5098      2.00000
    338       1.5835      2.00000
    339       1.6025      2.00000
    340       1.6349      2.00000
    341       1.7054      2.00000
    342       1.7398      2.00000
    343       1.8167      2.00000
    344       1.8793      2.00000
    345       1.9006      2.00000
    346       2.0579      2.00000
    347       2.0657      2.00000
    348       2.0837      2.00000
    349       2.0930      2.00000
    350       2.1415      2.00000
    351       2.2178      2.00000
    352       2.2755      2.00000
    353       2.3392      2.00000
    354       2.3401      2.00000
    355       3.6087     -0.01965
    356       3.6703      0.00669
    357       3.7286      0.00940
    358       3.7797      0.00594
    359       3.8297      0.00280
    360       3.8894      0.00086
    361       3.9471      0.00021
    362       3.9633      0.00014
    363       4.1240      0.00000
    364       4.1434      0.00000
    365       4.1466      0.00000
    366       4.2334      0.00000
    367       4.2723      0.00000
    368       4.3999      0.00000
    369       4.4418      0.00000
    370       4.5091      0.00000
    371       4.5287      0.00000
    372       4.5906      0.00000
    373       4.6499      0.00000
    374       4.7086      0.00000
    375       4.7370      0.00000
    376       4.8176      0.00000
    377       4.9471      0.00000
    378       4.9556      0.00000
    379       5.0245      0.00000
    380       5.0321      0.00000
    381       5.0853      0.00000
    382       5.1103      0.00000
    383       5.3091      0.00000
    384       5.3590      0.00000
    385       5.3915      0.00000
    386       5.4153      0.00000
    387       5.5014      0.00000
    388       5.5924      0.00000
    389       5.6419      0.00000
    390       5.7367      0.00000
    391       5.8269      0.00000
    392       5.8704      0.00000
    393       6.0244      0.00000
    394       6.0562      0.00000
    395       6.1550      0.00000
    396       6.1679      0.00000
    397       6.2588      0.00000
    398       6.3048      0.00000
    399       6.3588      0.00000
    400       6.4083      0.00000
    401       6.4725      0.00000
    402       6.5564      0.00000
    403       6.5703      0.00000
    404       6.6150      0.00000
    405       6.6986      0.00000
    406       6.7099      0.00000
    407       6.7140      0.00000
    408       6.7674      0.00000
    409       6.8161      0.00000
    410       6.8868      0.00000
    411       6.9924      0.00000
    412       7.0252      0.00000
    413       7.0425      0.00000
    414       7.0448      0.00000
    415       7.1268      0.00000
    416       7.1632      0.00000
    417       7.2003      0.00000
    418       7.2686      0.00000
    419       7.3859      0.00000
    420       7.3985      0.00000
    421       7.4818      0.00000
    422       7.5050      0.00000
    423       7.5337      0.00000
    424       7.5618      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
  3.005  -4.735   0.000   0.000  -0.000   0.000   0.000  -0.000
 -4.735  -2.777  -0.000  -0.000   0.000   0.000   0.000  -0.000
  0.000  -0.000  -7.257  -0.000  -0.000   1.264  -0.000  -0.000
  0.000  -0.000  -0.000  -7.257  -0.000  -0.000   1.264  -0.000
 -0.000   0.000  -0.000  -0.000  -7.258  -0.000  -0.000   1.263
  0.000   0.000   1.264  -0.000  -0.000   7.421  -0.000  -0.000
  0.000   0.000  -0.000   1.264  -0.000  -0.000   7.420  -0.000
 -0.000  -0.000  -0.000  -0.000   1.263  -0.000  -0.000   7.420
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 -0.000   0.000  -0.000   0.000   0.000  -0.000   0.000   0.000
 -0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
 -0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
  0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000  -0.000  -0.000  -0.000  -0.000  -0.000  -0.000
  0.000   0.000   0.000  -0.000  -0.000   0.000  -0.000  -0.000
  0.000   0.000  -0.000   0.000  -0.000  -0.000   0.000  -0.000
  0.000   0.000   0.000  -0.000   0.000   0.000  -0.000   0.000
 total augmentation occupancy for first ion, spin component:           1
  2.087  -0.216   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.002   0.001   0.000  -0.002   0.000   0.002  -0.002
 -0.216   0.534   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.004  -0.003   0.000   0.004   0.000  -0.006   0.005
  0.000   0.000   2.005   0.001   0.000  -0.007  -0.001   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.001   2.005   0.000  -0.001  -0.007   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   2.007   0.000   0.000  -0.008   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.007  -0.001   0.000   0.009   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000  -0.001  -0.007   0.000   0.000   0.009   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000  -0.008   0.000   0.000   0.009   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.134   0.000   0.000  -0.003   0.000  -0.237   0.000   0.000
 -0.002   0.004   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.130   0.000   0.000  -0.001   0.000  -0.233  -0.000
  0.001  -0.003   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.089   0.000   0.001   0.000  -0.000  -0.176
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.003   0.000   0.000   0.136   0.000   0.005   0.000   0.000
 -0.002   0.004   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.001   0.001   0.000   0.086   0.000   0.003  -0.001
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.237   0.000   0.000   0.005   0.000   0.481   0.000   0.000
  0.002  -0.006   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.233  -0.000   0.000   0.003   0.000   0.478  -0.001
 -0.002   0.005   0.000   0.000   0.000   0.000   0.000   0.000   0.000  -0.000  -0.176   0.000  -0.001   0.000  -0.001   0.391
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.005   0.000   0.000  -0.239   0.000  -0.009   0.000   0.000
  0.001  -0.004   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.004  -0.001   0.000  -0.172   0.000  -0.010   0.002


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


    CHARGE:  cpu time    0.2520: real time    0.2547
    FORLOC:  cpu time    0.0080: real time    0.0077
    FORNL :  cpu time    6.9444: real time    6.9555
    STRESS:  cpu time    6.2844: real time    6.3014
    FORCOR:  cpu time    0.0440: real time    0.0410
    FORHAR:  cpu time    0.0120: real time    0.0147
    MIXING:  cpu time    0.0000: real time    0.0011
    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  4778.91428  4778.91428  4778.91428
  Ewald  -20482.44071-20739.54402-20739.54402    -0.00554  -250.21322     0.00554
  Hartree 12230.86288 12003.02644 12003.02644    -0.00280  -174.74341     0.00280
  E(xc)   -3945.21333 -3945.25946 -3945.25946    -0.00000    -0.23290     0.00000
  Local    6550.26805  7043.02436  7043.02436     0.00806   427.81095    -0.00806
  n-local  -644.60769  -644.64018  -643.67496    -0.10899    -1.21456     0.71072
  augment -2532.61138 -2533.04685 -2533.04645     0.00010    -0.09980     0.00006
  Kinetic  4054.35232  4048.82283  4047.94557     0.27122    -3.50630     0.87863
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       9.52442    11.34157    11.34157     0.00000    -2.19926     0.00000
  in kB      11.60996    13.82501    13.82501     0.00000    -2.68083     0.00000
  external pressure =       13.09 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      320.00
  volume of cell :     1314.37
      direct lattice vectors                 reciprocal lattice vectors
    10.954000000  0.000000000  0.000000000     0.091290853  0.000000000  0.000000000
     0.000000000 10.954000000  0.000000000     0.000000000  0.091290853  0.000000000
     0.000000000  0.000000000 10.954000000     0.000000000  0.000000000  0.091290853

  length of vectors
    10.954000000 10.954000000 10.954000000     0.091290853  0.091290853  0.091290853


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.257E-13 -.537E-13 0.200E-12   -.693E-13 0.142E-13 0.400E-14   0.597E-24 0.103E-24 0.169E-25   0.109E-12 -.229E-12 0.198E-12
   0.586E-13 0.194E-11 0.154E-11   0.000E+00 -.284E-13 0.000E+00   -.161E-26 -.171E-24 0.188E-25   -.219E-12 0.154E-12 -.437E-12
   -.652E-07 0.852E-04 0.852E-04   -.231E-13 -.132E-03 -.132E-03   -.559E-18 0.409E-18 0.662E-19   0.146E-12 0.113E-06 0.113E-06
   0.652E-07 -.852E-04 -.852E-04   0.252E-12 0.132E-03 0.132E-03   0.129E-17 0.107E-18 0.772E-19   -.512E-13 -.113E-06 -.113E-06
   0.329E-04 0.846E+01 0.294E+03   -.510E-04 -.856E+01 -.293E+03   -.228E-18 0.739E-01 -.242E+01   0.336E-07 0.452E-07 0.180E-04
   -.329E-04 -.846E+01 -.294E+03   0.510E-04 0.856E+01 0.293E+03   0.613E-18 -.739E-01 0.242E+01   -.336E-07 -.452E-07 -.180E-04
   0.329E-04 -.294E+03 -.846E+01   -.510E-04 0.293E+03 0.856E+01   -.480E-18 0.242E+01 -.739E-01   0.336E-07 -.180E-04 -.452E-07
   -.329E-04 0.294E+03 0.846E+01   0.510E-04 -.293E+03 -.856E+01   -.790E-18 -.242E+01 0.739E-01   -.336E-07 0.180E-04 0.452E-07
   -.255E+02 -.181E+02 -.451E+02   0.284E+02 0.204E+02 0.472E+02   -.284E+01 -.241E+01 -.223E+01   -.279E-04 0.243E-04 -.272E-04
   0.436E+02 -.158E+02 0.483E+01   -.460E+02 0.156E+02 -.312E+01   0.208E+01 0.347E+00 -.210E+01   -.700E-05 0.722E-05 0.107E-04
   0.436E+02 0.158E+02 -.483E+01   -.460E+02 -.156E+02 0.312E+01   0.208E+01 -.347E+00 0.210E+01   -.705E-05 -.692E-05 -.105E-04
   -.255E+02 0.181E+02 0.451E+02   0.284E+02 -.204E+02 -.472E+02   -.284E+01 0.241E+01 0.223E+01   -.278E-04 -.241E-04 0.274E-04
   -.436E+02 0.483E+01 -.158E+02   0.460E+02 -.312E+01 0.156E+02   -.208E+01 -.210E+01 0.347E+00   0.700E-05 0.107E-04 0.722E-05
   0.255E+02 0.451E+02 0.181E+02   -.284E+02 -.472E+02 -.204E+02   0.284E+01 0.223E+01 0.241E+01   0.278E-04 0.274E-04 -.241E-04
   -.436E+02 -.483E+01 0.158E+02   0.460E+02 0.312E+01 -.156E+02   -.208E+01 0.210E+01 -.347E+00   0.705E-05 -.105E-04 -.692E-05
   0.255E+02 -.451E+02 -.181E+02   -.284E+02 0.472E+02 0.204E+02   0.284E+01 -.223E+01 -.241E+01   0.279E-04 -.272E-04 0.243E-04
   0.255E+02 0.181E+02 0.451E+02   -.284E+02 -.204E+02 -.472E+02   0.284E+01 0.241E+01 0.223E+01   0.279E-04 -.243E-04 0.272E-04
   -.436E+02 0.158E+02 -.483E+01   0.460E+02 -.156E+02 0.312E+01   -.208E+01 -.347E+00 0.210E+01   0.700E-05 -.722E-05 -.107E-04
   -.436E+02 -.158E+02 0.483E+01   0.460E+02 0.156E+02 -.312E+01   -.208E+01 0.347E+00 -.210E+01   0.705E-05 0.692E-05 0.105E-04
   0.255E+02 -.181E+02 -.451E+02   -.284E+02 0.204E+02 0.472E+02   0.284E+01 -.241E+01 -.223E+01   0.278E-04 0.241E-04 -.274E-04
   0.436E+02 -.483E+01 0.158E+02   -.460E+02 0.312E+01 -.156E+02   0.208E+01 0.210E+01 -.347E+00   -.700E-05 -.107E-04 -.722E-05
   -.255E+02 -.451E+02 -.181E+02   0.284E+02 0.472E+02 0.204E+02   -.284E+01 -.223E+01 -.241E+01   -.278E-04 -.274E-04 0.241E-04
   0.436E+02 0.483E+01 -.158E+02   -.460E+02 -.312E+01 0.156E+02   0.208E+01 -.210E+01 0.347E+00   -.705E-05 0.105E-04 0.692E-05
   -.255E+02 0.451E+02 0.181E+02   0.284E+02 -.472E+02 -.204E+02   -.284E+01 0.223E+01 0.241E+01   -.279E-04 0.272E-04 -.243E-04
   -.133E-05 0.125E-03 0.125E-03   -.341E-12 -.194E-03 -.194E-03   -.150E-17 0.104E-19 -.140E-19   -.367E-12 0.117E-06 0.117E-06
   0.133E-05 -.125E-03 -.125E-03   0.298E-12 0.194E-03 0.194E-03   -.124E-17 -.461E-18 -.459E-18   -.450E-13 -.117E-06 -.117E-06
   0.134E-03 0.178E+02 -.867E+02   -.208E-03 -.187E+02 0.877E+02   0.116E-19 0.104E+01 -.856E+00   0.199E-06 0.151E-04 -.965E-05
   -.134E-03 -.178E+02 0.867E+02   0.208E-03 0.187E+02 -.877E+02   0.120E-18 -.104E+01 0.856E+00   -.199E-06 -.151E-04 0.965E-05
   0.134E-03 0.867E+02 -.178E+02   -.208E-03 -.877E+02 0.187E+02   -.877E-19 0.856E+00 -.104E+01   0.199E-06 0.965E-05 -.151E-04
   -.134E-03 -.867E+02 0.178E+02   0.208E-03 0.877E+02 -.187E+02   -.253E-19 -.856E+00 0.104E+01   -.199E-06 -.965E-05 0.151E-04
   0.211E-03 -.143E+03 0.209E+02   -.327E-03 0.138E+03 -.184E+02   -.134E-17 0.538E+01 -.253E+01   -.936E-07 -.326E-04 -.309E-05
   0.374E-03 0.137E+03 0.806E+02   -.579E-03 -.135E+03 -.795E+02   0.272E-18 -.250E+01 -.202E+01   0.212E-06 0.165E-04 -.144E-05
   -.374E-03 -.137E+03 -.806E+02   0.579E-03 0.135E+03 0.795E+02   -.191E-18 0.250E+01 0.202E+01   -.212E-06 -.165E-04 0.144E-05
   -.211E-03 0.143E+03 -.209E+02   0.327E-03 -.138E+03 0.184E+02   -.261E-18 -.538E+01 0.253E+01   0.936E-07 0.326E-04 0.309E-05
   0.201E+02 -.681E+02 -.173E+03   -.187E+02 0.696E+02 0.170E+03   -.139E+01 -.155E+01 0.286E+01   -.124E-04 -.525E-04 -.432E-04
   0.201E+02 0.681E+02 0.173E+03   -.187E+02 -.696E+02 -.170E+03   -.139E+01 0.155E+01 -.286E+01   -.123E-04 0.525E-04 0.432E-04
   -.201E+02 -.681E+02 -.173E+03   0.187E+02 0.696E+02 0.170E+03   0.139E+01 -.155E+01 0.286E+01   0.123E-04 -.525E-04 -.432E-04
   -.201E+02 0.681E+02 0.173E+03   0.187E+02 -.696E+02 -.170E+03   0.139E+01 0.155E+01 -.286E+01   0.124E-04 0.525E-04 0.432E-04
   -.151E+03 0.578E+02 -.346E+02   0.148E+03 -.568E+02 0.360E+02   0.358E+01 -.107E+01 -.146E+01   -.361E-04 0.905E-05 -.227E-04
   0.151E+03 0.578E+02 -.346E+02   -.148E+03 -.568E+02 0.360E+02   -.358E+01 -.107E+01 -.146E+01   0.362E-04 0.933E-05 -.226E-04
   -.151E+03 -.578E+02 0.346E+02   0.148E+03 0.568E+02 -.360E+02   0.358E+01 0.107E+01 0.146E+01   -.362E-04 -.933E-05 0.226E-04
   0.151E+03 -.578E+02 0.346E+02   -.148E+03 0.568E+02 -.360E+02   -.358E+01 0.107E+01 0.146E+01   0.361E-04 -.905E-05 0.227E-04
   -.151E+03 0.346E+02 -.578E+02   0.148E+03 -.360E+02 0.568E+02   0.358E+01 0.146E+01 0.107E+01   -.361E-04 0.227E-04 -.905E-05
   0.151E+03 0.346E+02 -.578E+02   -.148E+03 -.360E+02 0.568E+02   -.358E+01 0.146E+01 0.107E+01   0.362E-04 0.226E-04 -.933E-05
   -.151E+03 -.346E+02 0.578E+02   0.148E+03 0.360E+02 -.568E+02   0.358E+01 -.146E+01 -.107E+01   -.362E-04 -.226E-04 0.933E-05
   0.151E+03 -.346E+02 0.578E+02   -.148E+03 0.360E+02 -.568E+02   -.358E+01 -.146E+01 -.107E+01   0.361E-04 -.227E-04 0.905E-05
   -.374E-03 0.806E+02 0.137E+03   0.579E-03 -.795E+02 -.135E+03   -.109E-17 -.202E+01 -.250E+01   -.212E-06 -.144E-05 0.165E-04
   -.211E-03 0.209E+02 -.143E+03   0.327E-03 -.184E+02 0.138E+03   -.568E-18 -.253E+01 0.538E+01   0.936E-07 -.309E-05 -.326E-04
   0.211E-03 -.209E+02 0.143E+03   -.327E-03 0.184E+02 -.138E+03   0.129E-17 0.253E+01 -.538E+01   -.936E-07 0.309E-05 0.326E-04
   0.374E-03 -.806E+02 -.137E+03   -.579E-03 0.795E+02 0.135E+03   0.963E-18 0.202E+01 0.250E+01   0.212E-06 0.144E-05 -.165E-04
   0.201E+02 -.173E+03 -.681E+02   -.187E+02 0.170E+03 0.696E+02   -.139E+01 0.286E+01 -.155E+01   -.123E-04 -.432E-04 -.525E-04
   0.201E+02 0.173E+03 0.681E+02   -.187E+02 -.170E+03 -.696E+02   -.139E+01 -.286E+01 0.155E+01   -.124E-04 0.432E-04 0.525E-04
   -.201E+02 -.173E+03 -.681E+02   0.187E+02 0.170E+03 0.696E+02   0.139E+01 0.286E+01 -.155E+01   0.124E-04 -.432E-04 -.525E-04
   -.201E+02 0.173E+03 0.681E+02   0.187E+02 -.170E+03 -.696E+02   0.139E+01 -.286E+01 0.155E+01   0.123E-04 0.432E-04 0.525E-04
 -----------------------------------------------------------------------------------------------
   0.378E-10 0.242E-10 -.227E-10   -.171E-12 0.284E-12 0.298E-12   -.222E-15 -.133E-14 0.000E+00   -.351E-11 -.385E-11 0.197E-12
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000     -0.000000      0.000000
      5.47700      5.47700      5.47700         0.000000     -0.000000      0.000000
      2.73850      5.47700      0.00000         0.000000     -0.000000      0.000000
      8.21550      5.47700      0.00000         0.000000     -0.000000      0.000000
      0.00000      2.73850      6.51356         0.000000     -0.025225     -1.567059
      0.00000      8.21550      4.44044         0.000000      0.025225      1.567059
      5.47700      9.91744      2.73850         0.000000      1.567059      0.025225
      5.47700      1.03656      8.21550         0.000000     -1.567059     -0.025225
      2.02601      2.11996      1.98367         0.068301     -0.109366     -0.099494
      8.91115      9.00511      2.08519        -0.336555      0.191050     -0.390088
      8.91115      1.94890      8.86881        -0.336555     -0.191050      0.390088
      2.02601      8.83404      8.97033         0.068301      0.109366      0.099494
      7.51985      7.56219      3.52811         0.336555     -0.390088      0.191050
      3.45099      3.49333      3.35704        -0.068301      0.099494      0.109366
      7.51985      3.39181      7.42590         0.336555      0.390088     -0.191050
      3.45099      7.46067      7.59696        -0.068301     -0.099494     -0.109366
      8.92799      8.83404      8.97033        -0.068301      0.109366      0.099494
      2.04285      1.94889      8.86881         0.336555     -0.191050      0.390088
      2.04285      9.00510      2.08519         0.336555      0.191050     -0.390088
      8.92799      2.11996      1.98367        -0.068301     -0.109366     -0.099494
      3.43415      3.39181      7.42589        -0.336555      0.390088     -0.191050
      7.50301      7.46067      7.59696         0.068301     -0.099494     -0.109366
      3.43415      7.56219      3.52810        -0.336555     -0.390088      0.191050
      7.50301      3.49333      3.35704         0.068301      0.099494      0.109366
      2.73850      0.00000      5.47700         0.000000     -0.000000      0.000000
      8.21550      0.00000      5.47700         0.000000     -0.000000      0.000000
      5.47700      2.73850      0.06516         0.000000      0.082040      0.182561
      5.47700      8.21550     10.88884         0.000000     -0.082040     -0.182561
      0.00000      5.41184      2.73850         0.000000     -0.182561     -0.082040
      0.00000      5.54216      8.21550         0.000000      0.182561      0.082040
      0.00000      3.37150      1.18355         0.000000      0.002497     -0.056220
      0.00000      7.60419      1.39646         0.000000     -0.116062     -0.821559
      0.00000      3.34981      9.55754         0.000000      0.116062      0.821559
      0.00000      7.58250      9.77045         0.000000     -0.002497      0.056220
      1.29000      0.16437      3.36066         0.015327     -0.051389     -0.022396
      1.29000     10.78963      7.59334         0.015327      0.051389      0.022396
      9.66400      0.16437      3.36066        -0.015327     -0.051389     -0.022396
      9.66400     10.78963      7.59334        -0.015327      0.051389      0.022396
      3.36066      1.29000      0.01282        -0.177779     -0.016041     -0.034515
      7.59334      1.29000      0.01282         0.177779     -0.016041     -0.034515
      3.36066      9.66400     10.94118        -0.177779      0.016041      0.034515
      7.59334      9.66400     10.94118         0.177779      0.016041      0.034515
      8.83766      5.46418      4.18700        -0.177779      0.034515      0.016041
      2.11634      5.46418      4.18700         0.177779      0.034515      0.016041
      8.83766      5.48982      6.76700        -0.177779     -0.034515     -0.016041
      2.11634      5.48982      6.76700         0.177779     -0.034515     -0.016041
      5.47700      6.87346      2.12719         0.000000     -0.821559     -0.116062
      5.47700      6.66055      8.84850         0.000000     -0.056220      0.002497
      5.47700      4.29345      2.10550         0.000000      0.056220     -0.002497
      5.47700      4.08054      8.82681         0.000000      0.821559      0.116062
      6.76700      8.83766      5.64137         0.015327     -0.022396     -0.051389
      6.76700      2.11634      5.31263         0.015327      0.022396      0.051389
      4.18700      8.83766      5.64137        -0.015327     -0.022396     -0.051389
      4.18700      2.11634      5.31263        -0.015327      0.022396      0.051389
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000     -0.000000


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =      -216.31903410 eV

  energy  without entropy=     -216.33151785  energy(sigma->0) =     -216.32215504
 


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


    POTLOK:  cpu time    0.0760: real time    0.0737


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


     LOOP+:  cpu time  241.1511: real time  241.9087
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP on root node    61756. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       8660. kBytes
   fftplans  :       4361. kBytes
   grid      :       3110. kBytes
   one-center:         77. kBytes
   wavefun   :      15548. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      247.871
                            User time (sec):      247.179
                          System time (sec):        0.692
                         Elapsed time (sec):      248.630
  
                   Maximum memory used (kb):      106368.
                   Average memory used (kb):           0.
  
                          Minor page faults:        36685
                          Major page faults:            0
                 Voluntary context switches:         1449
