 vasp.5.3.2 13Sep12 (build Mar 19 2013 10:46:17) complex

 executed on             LinuxIFC date 2013.12.05  17:01:31
 serial version


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


 INCAR:
 POTCAR:  PAW_PBE Ac 06Sep2000
 POTCAR:  PAW_PBE Ag 06Sep2000
 POTCAR:  PAW_PBE Ac 06Sep2000
   VRHFIN =Ac:
   LEXCH  = PE
   EATOM  =   812.3392 eV,   59.7052 Ry

   TITEL  = PAW_PBE Ac 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =  227.028; ZVAL   =   11.000    mass and valenz
   RCORE  =    2.900    outmost cutoff radius
   RWIGS  =    2.900; RWIGS  =    1.535    wigner-seitz radius (au A)
   ENMAX  =  172.237; ENMIN  =  129.178 eV
   RCLOC  =    2.010    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  543.281
   DEXC   =    -.001
   RMAX   =    3.513    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.904    radius for radial grids
   QCUT   =   -3.558; QGAM   =    7.116    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     0   .000     23  2.880
     0   .000     23  2.880
     1   .000     23  2.900
     1   .000     23  2.900
     2   .000     23  2.900
     2   .000     23  2.900
     3   .000     23  2.900
     3   .100     23  2.900
  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
  non local Contribution for L=           3  read in
    real space projection operators read in
  non local Contribution for L=           3  read in
    real space projection operators read in
    PAW grid and wavefunctions read in

   number of l-projection  operators is LMAX  =           8
   number of lm-projection operators is LMMAX =          32

 POTCAR:  PAW_PBE Ag 06Sep2000
   VRHFIN =Ag : s1 d10
   LEXCH  = PE
   EATOM  =  1037.4134 eV,   76.2477 Ry

   TITEL  = PAW_PBE Ag 06Sep2000
   LULTRA =        F    use ultrasoft PP ?
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no
   RPACOR =    2.000    partial core radius
   POMASS =  107.868; ZVAL   =   11.000    mass and valenz
   RCORE  =    2.400    outmost cutoff radius
   RWIGS  =    2.840; RWIGS  =    1.503    wigner-seitz radius (au A)
   ENMAX  =  249.846; ENMIN  =  187.385 eV
   RCLOC  =    1.962    cutoff for local pot
   LCOR   =        T    correct aug charges
   LPAW   =        T    paw PP
   EAUG   =  412.496
   DEXC   =    -.047
   RMAX   =    2.917    core radius for proj-oper
   RAUG   =    1.300    factor for augmentation sphere
   RDEP   =    2.416    radius for radial grids
   QCUT   =   -4.285; QGAM   =    8.570    optimization parameters

   Description
     l     E      TYP  RCUT    TYP  RCUT
     2   .000     23  2.400
     2   .000     23  2.400
     0   .000     23  2.400
     0   .000     23  2.400
     1  -.200     23  2.400
     1  1.500     23  2.400
     3   .000      7   .000
  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

PAW_PBE Ac 06Sep2000                    :
 energy of atom  1       EATOM= -812.3392
 kinetic energy error for atom=    0.0062 (will be added to EATOM!!)
PAW_PBE Ag 06Sep2000                    :
 energy of atom  2       EATOM=-1037.4134
 kinetic energy error for atom=    0.0689 (will be added to EATOM!!)


 POSCAR: Ac Ag
  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-   2 3.24   2 3.24   2 3.24   2 3.24   2 3.24   2 3.24
   2  0.500  0.500  0.500-   1 3.24   1 3.24   1 3.24   1 3.24   1 3.24   1 3.24

  LATTYP: Found a face centered cubic cell.
 ALAT       =     6.4793080000

  Lattice vectors:

 A1 = (   0.0000000000,   3.2396540000,   3.2396540000)
 A2 = (   3.2396540000,   0.0000000000,   3.2396540000)
 A3 = (   3.2396540000,   3.2396540000,   0.0000000000)


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


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


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


The static configuration has the point symmetry O_h .


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


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


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


The dynamic configuration has the point symmetry O_h .


Analysis of magnetic symmetry:
=====================================================================

 Subroutine MAGSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The magnetic configuration has the point symmetry O_h .


 KPOINTS: KPOINTS

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   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    4    -1.000000   120.000000    -0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
    5     1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    6    -1.000000   120.000000     0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
    7     1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    8    -1.000000    90.000000     0.000000     0.000000    -1.000000     0.000000     0.000000     0.000000
    9     1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   10    -1.000000   180.000000     0.000000     0.707107     0.707107     0.000000     0.000000     0.000000
   11     1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   12    -1.000000    90.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   13     1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   14    -1.000000   180.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   15     1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   16    -1.000000   120.000000    -0.577350     0.577350     0.577350     0.000000     0.000000     0.000000
   17     1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   18    -1.000000   120.000000    -0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   19     1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   20    -1.000000    90.000000     0.000000     0.000000     1.000000     0.000000     0.000000     0.000000
   21     1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   22    -1.000000    90.000000    -1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   23     1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   24    -1.000000   180.000000     0.707107     0.000000     0.707107     0.000000     0.000000     0.000000
   25     1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   26    -1.000000   120.000000     0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   27     1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   28    -1.000000   120.000000    -0.577350    -0.577350     0.577350     0.000000     0.000000     0.000000
   29     1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   30    -1.000000   180.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   31     1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   32    -1.000000    90.000000     0.000000    -1.000000     0.000000     0.000000     0.000000     0.000000
   33     1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   34    -1.000000   180.000000     0.707107     0.707107     0.000000     0.000000     0.000000     0.000000
   35     1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   36    -1.000000    90.000000     1.000000     0.000000     0.000000     0.000000     0.000000     0.000000
   37     1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   38    -1.000000   120.000000     0.577350    -0.577350    -0.577350     0.000000     0.000000     0.000000
   39     1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   40    -1.000000   180.000000     0.000000     1.000000     0.000000     0.000000     0.000000     0.000000
   41     1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   42    -1.000000   120.000000     0.577350     0.577350    -0.577350     0.000000     0.000000     0.000000
   43     1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   44    -1.000000   180.000000     0.000000    -0.707107     0.707107     0.000000     0.000000     0.000000
   45     1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   46    -1.000000   180.000000     0.707107    -0.707107     0.000000     0.000000     0.000000     0.000000
   47     1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000
   48    -1.000000   180.000000     0.707107     0.000000    -0.707107     0.000000     0.000000     0.000000

 Subroutine IBZKPT returns following result:
 ===========================================

 Found    145 irreducible k-points:

 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.062500  0.000000  0.000000      8.000000
  0.125000  0.000000  0.000000      8.000000
  0.187500  0.000000  0.000000      8.000000
  0.250000  0.000000  0.000000      8.000000
  0.312500  0.000000  0.000000      8.000000
  0.375000  0.000000  0.000000      8.000000
  0.437500  0.000000  0.000000      8.000000
  0.500000  0.000000  0.000000      4.000000
  0.062500  0.062500  0.000000      6.000000
  0.125000  0.062500  0.000000     24.000000
  0.187500  0.062500  0.000000     24.000000
  0.250000  0.062500  0.000000     24.000000
  0.312500  0.062500  0.000000     24.000000
  0.375000  0.062500  0.000000     24.000000
  0.437500  0.062500  0.000000     24.000000
  0.500000  0.062500  0.000000     24.000000
 -0.437500  0.062500  0.000000     24.000000
 -0.375000  0.062500  0.000000     24.000000
 -0.312500  0.062500  0.000000     24.000000
 -0.250000  0.062500  0.000000     24.000000
 -0.187500  0.062500  0.000000     24.000000
 -0.125000  0.062500  0.000000     24.000000
 -0.062500  0.062500  0.000000     12.000000
  0.125000  0.125000  0.000000      6.000000
  0.187500  0.125000  0.000000     24.000000
  0.250000  0.125000  0.000000     24.000000
  0.312500  0.125000  0.000000     24.000000
  0.375000  0.125000  0.000000     24.000000
  0.437500  0.125000  0.000000     24.000000
  0.500000  0.125000  0.000000     24.000000
 -0.437500  0.125000  0.000000     24.000000
 -0.375000  0.125000  0.000000     24.000000
 -0.312500  0.125000  0.000000     24.000000
 -0.250000  0.125000  0.000000     24.000000
 -0.187500  0.125000  0.000000     24.000000
 -0.125000  0.125000  0.000000     12.000000
  0.187500  0.187500  0.000000      6.000000
  0.250000  0.187500  0.000000     24.000000
  0.312500  0.187500  0.000000     24.000000
  0.375000  0.187500  0.000000     24.000000
  0.437500  0.187500  0.000000     24.000000
  0.500000  0.187500  0.000000     24.000000
 -0.437500  0.187500  0.000000     24.000000
 -0.375000  0.187500  0.000000     24.000000
 -0.312500  0.187500  0.000000     24.000000
 -0.250000  0.187500  0.000000     24.000000
 -0.187500  0.187500  0.000000     12.000000
  0.250000  0.250000  0.000000      6.000000
  0.312500  0.250000  0.000000     24.000000
  0.375000  0.250000  0.000000     24.000000
  0.437500  0.250000  0.000000     24.000000
  0.500000  0.250000  0.000000     24.000000
 -0.437500  0.250000  0.000000     24.000000
 -0.375000  0.250000  0.000000     24.000000
 -0.312500  0.250000  0.000000     24.000000
 -0.250000  0.250000  0.000000     12.000000
  0.312500  0.312500  0.000000      6.000000
  0.375000  0.312500  0.000000     24.000000
  0.437500  0.312500  0.000000     24.000000
  0.500000  0.312500  0.000000     24.000000
 -0.437500  0.312500  0.000000     24.000000
 -0.375000  0.312500  0.000000     24.000000
 -0.312500  0.312500  0.000000     12.000000
  0.375000  0.375000  0.000000      6.000000
  0.437500  0.375000  0.000000     24.000000
  0.500000  0.375000  0.000000     24.000000
 -0.437500  0.375000  0.000000     24.000000
 -0.375000  0.375000  0.000000     12.000000
  0.437500  0.437500  0.000000      6.000000
  0.500000  0.437500  0.000000     24.000000
 -0.437500  0.437500  0.000000     12.000000
  0.500000  0.500000  0.000000      3.000000
  0.187500  0.125000  0.062500     24.000000
  0.250000  0.125000  0.062500     48.000000
  0.312500  0.125000  0.062500     48.000000
  0.375000  0.125000  0.062500     48.000000
  0.437500  0.125000  0.062500     48.000000
  0.500000  0.125000  0.062500     48.000000
 -0.437500  0.125000  0.062500     24.000000
  0.250000  0.187500  0.062500     24.000000
  0.312500  0.187500  0.062500     48.000000
  0.375000  0.187500  0.062500     48.000000
  0.437500  0.187500  0.062500     48.000000
  0.500000  0.187500  0.062500     48.000000
 -0.437500  0.187500  0.062500     48.000000
 -0.375000  0.187500  0.062500     48.000000
 -0.312500  0.187500  0.062500     48.000000
 -0.250000  0.187500  0.062500     48.000000
 -0.187500  0.187500  0.062500     48.000000
 -0.125000  0.187500  0.062500     24.000000
  0.312500  0.250000  0.062500     24.000000
  0.375000  0.250000  0.062500     48.000000
  0.437500  0.250000  0.062500     48.000000
  0.500000  0.250000  0.062500     48.000000
 -0.437500  0.250000  0.062500     48.000000
 -0.375000  0.250000  0.062500     48.000000
 -0.312500  0.250000  0.062500     48.000000
 -0.250000  0.250000  0.062500     48.000000
 -0.187500  0.250000  0.062500     24.000000
  0.375000  0.312500  0.062500     24.000000
  0.437500  0.312500  0.062500     48.000000
  0.500000  0.312500  0.062500     48.000000
 -0.437500  0.312500  0.062500     48.000000
 -0.375000  0.312500  0.062500     48.000000
 -0.312500  0.312500  0.062500     48.000000
 -0.250000  0.312500  0.062500     24.000000
  0.437500  0.375000  0.062500     24.000000
  0.500000  0.375000  0.062500     48.000000
 -0.437500  0.375000  0.062500     48.000000
 -0.375000  0.375000  0.062500     48.000000
 -0.312500  0.375000  0.062500     24.000000
  0.500000  0.437500  0.062500     24.000000
 -0.437500  0.437500  0.062500     48.000000
 -0.375000  0.437500  0.062500     24.000000
 -0.437500  0.500000  0.062500     12.000000
  0.375000  0.250000  0.125000     24.000000
  0.437500  0.250000  0.125000     48.000000
  0.500000  0.250000  0.125000     48.000000
 -0.437500  0.250000  0.125000     48.000000
 -0.375000  0.250000  0.125000     24.000000
  0.437500  0.312500  0.125000     24.000000
  0.500000  0.312500  0.125000     48.000000
 -0.437500  0.312500  0.125000     48.000000
 -0.375000  0.312500  0.125000     48.000000
 -0.312500  0.312500  0.125000     48.000000
 -0.250000  0.312500  0.125000     48.000000
 -0.187500  0.312500  0.125000     24.000000
  0.500000  0.375000  0.125000     24.000000
 -0.437500  0.375000  0.125000     48.000000
 -0.375000  0.375000  0.125000     48.000000
 -0.312500  0.375000  0.125000     48.000000
 -0.250000  0.375000  0.125000     24.000000
 -0.437500  0.437500  0.125000     24.000000
 -0.375000  0.437500  0.125000     48.000000
 -0.312500  0.437500  0.125000     24.000000
 -0.375000  0.500000  0.125000     12.000000
 -0.437500  0.375000  0.187500     24.000000
 -0.375000  0.375000  0.187500     48.000000
 -0.312500  0.375000  0.187500     24.000000
 -0.375000  0.437500  0.187500     24.000000
 -0.312500  0.437500  0.187500     48.000000
 -0.250000  0.437500  0.187500     24.000000
 -0.312500  0.500000  0.187500     12.000000
 -0.250000  0.500000  0.250000      6.000000

 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 -0.009646  0.009646  0.009646      8.000000
 -0.019292  0.019292  0.019292      8.000000
 -0.028938  0.028938  0.028938      8.000000
 -0.038584  0.038584  0.038584      8.000000
 -0.048230  0.048230  0.048230      8.000000
 -0.057877  0.057877  0.057877      8.000000
 -0.067523  0.067523  0.067523      8.000000
 -0.077169  0.077169  0.077169      4.000000
  0.000000  0.000000  0.019292      6.000000
 -0.009646  0.009646  0.028938     24.000000
 -0.019292  0.019292  0.038584     24.000000
 -0.028938  0.028938  0.048230     24.000000
 -0.038584  0.038584  0.057877     24.000000
 -0.048230  0.048230  0.067523     24.000000
 -0.057877  0.057877  0.077169     24.000000
 -0.067523  0.067523  0.086815     24.000000
  0.077169 -0.077169 -0.057877     24.000000
  0.067523 -0.067523 -0.048230     24.000000
  0.057877 -0.057877 -0.038584     24.000000
  0.048230 -0.048230 -0.028938     24.000000
  0.038584 -0.038584 -0.019292     24.000000
  0.028938 -0.028938 -0.009646     24.000000
  0.019292 -0.019292  0.000000     12.000000
  0.000000  0.000000  0.038584      6.000000
 -0.009646  0.009646  0.048230     24.000000
 -0.019292  0.019292  0.057877     24.000000
 -0.028938  0.028938  0.067523     24.000000
 -0.038584  0.038584  0.077169     24.000000
 -0.048230  0.048230  0.086815     24.000000
 -0.057877  0.057877  0.096461     24.000000
  0.086815 -0.086815 -0.048230     24.000000
  0.077169 -0.077169 -0.038584     24.000000
  0.067523 -0.067523 -0.028938     24.000000
  0.057877 -0.057877 -0.019292     24.000000
  0.048230 -0.048230 -0.009646     24.000000
  0.038584 -0.038584  0.000000     12.000000
  0.000000  0.000000  0.057877      6.000000
 -0.009646  0.009646  0.067523     24.000000
 -0.019292  0.019292  0.077169     24.000000
 -0.028938  0.028938  0.086815     24.000000
 -0.038584  0.038584  0.096461     24.000000
 -0.048230  0.048230  0.106107     24.000000
  0.096461 -0.096461 -0.038584     24.000000
  0.086815 -0.086815 -0.028938     24.000000
  0.077169 -0.077169 -0.019292     24.000000
  0.067523 -0.067523 -0.009646     24.000000
  0.057877 -0.057877  0.000000     12.000000
  0.000000  0.000000  0.077169      6.000000
 -0.009646  0.009646  0.086815     24.000000
 -0.019292  0.019292  0.096461     24.000000
 -0.028938  0.028938  0.106107     24.000000
 -0.038584  0.038584  0.115753     24.000000
  0.106107 -0.106107 -0.028938     24.000000
  0.096461 -0.096461 -0.019292     24.000000
  0.086815 -0.086815 -0.009646     24.000000
  0.077169 -0.077169  0.000000     12.000000
  0.000000  0.000000  0.096461      6.000000
 -0.009646  0.009646  0.106107     24.000000
 -0.019292  0.019292  0.115753     24.000000
 -0.028938  0.028938  0.125399     24.000000
  0.115753 -0.115753 -0.019292     24.000000
  0.106107 -0.106107 -0.009646     24.000000
  0.096461 -0.096461  0.000000     12.000000
  0.000000  0.000000  0.115753      6.000000
 -0.009646  0.009646  0.125399     24.000000
 -0.019292  0.019292  0.135045     24.000000
  0.125399 -0.125399 -0.009646     24.000000
  0.115753 -0.115753  0.000000     12.000000
  0.000000  0.000000  0.135045      6.000000
 -0.009646  0.009646  0.144691     24.000000
  0.135045 -0.135045  0.000000     12.000000
  0.000000  0.000000  0.154337      3.000000
  0.000000  0.019292  0.038584     24.000000
 -0.009646  0.028938  0.048230     48.000000
 -0.019292  0.038584  0.057877     48.000000
 -0.028938  0.048230  0.067523     48.000000
 -0.038584  0.057877  0.077169     48.000000
 -0.048230  0.067523  0.086815     48.000000
  0.096461 -0.077169 -0.057877     24.000000
  0.000000  0.019292  0.057877     24.000000
 -0.009646  0.028938  0.067523     48.000000
 -0.019292  0.038584  0.077169     48.000000
 -0.028938  0.048230  0.086815     48.000000
 -0.038584  0.057877  0.096461     48.000000
  0.106107 -0.086815 -0.048230     48.000000
  0.096461 -0.077169 -0.038584     48.000000
  0.086815 -0.067523 -0.028938     48.000000
  0.077169 -0.057877 -0.019292     48.000000
  0.067523 -0.048230 -0.009646     48.000000
  0.057877 -0.038584  0.000000     24.000000
  0.000000  0.019292  0.077169     24.000000
 -0.009646  0.028938  0.086815     48.000000
 -0.019292  0.038584  0.096461     48.000000
 -0.028938  0.048230  0.106107     48.000000
  0.115753 -0.096461 -0.038584     48.000000
  0.106107 -0.086815 -0.028938     48.000000
  0.096461 -0.077169 -0.019292     48.000000
  0.086815 -0.067523 -0.009646     48.000000
  0.077169 -0.057877  0.000000     24.000000
  0.000000  0.019292  0.096461     24.000000
 -0.009646  0.028938  0.106107     48.000000
 -0.019292  0.038584  0.115753     48.000000
  0.125399 -0.106107 -0.028938     48.000000
  0.115753 -0.096461 -0.019292     48.000000
  0.106107 -0.086815 -0.009646     48.000000
  0.096461 -0.077169  0.000000     24.000000
  0.000000  0.019292  0.115753     24.000000
 -0.009646  0.028938  0.125399     48.000000
  0.135045 -0.115753 -0.019292     48.000000
  0.125399 -0.106107 -0.009646     48.000000
  0.115753 -0.096461  0.000000     24.000000
  0.000000  0.019292  0.135045     24.000000
  0.144691 -0.125399 -0.009646     48.000000
  0.135045 -0.115753  0.000000     24.000000
  0.154337 -0.135045  0.000000     12.000000
  0.000000  0.038584  0.077169     24.000000
 -0.009646  0.048230  0.086815     48.000000
 -0.019292  0.057877  0.096461     48.000000
  0.125399 -0.086815 -0.048230     48.000000
  0.115753 -0.077169 -0.038584     24.000000
  0.000000  0.038584  0.096461     24.000000
 -0.009646  0.048230  0.106107     48.000000
  0.135045 -0.096461 -0.038584     48.000000
  0.125399 -0.086815 -0.028938     48.000000
  0.115753 -0.077169 -0.019292     48.000000
  0.106107 -0.067523 -0.009646     48.000000
  0.096461 -0.057877  0.000000     24.000000
  0.000000  0.038584  0.115753     24.000000
  0.144691 -0.106107 -0.028938     48.000000
  0.135045 -0.096461 -0.019292     48.000000
  0.125399 -0.086815 -0.009646     48.000000
  0.115753 -0.077169  0.000000     24.000000
  0.154337 -0.115753 -0.019292     24.000000
  0.144691 -0.106107 -0.009646     48.000000
  0.135045 -0.096461  0.000000     24.000000
  0.154337 -0.115753  0.000000     12.000000
  0.154337 -0.096461 -0.038584     24.000000
  0.144691 -0.086815 -0.028938     48.000000
  0.135045 -0.077169 -0.019292     24.000000
  0.154337 -0.096461 -0.019292     24.000000
  0.144691 -0.086815 -0.009646     48.000000
  0.135045 -0.077169  0.000000     24.000000
  0.154337 -0.096461  0.000000     12.000000
  0.154337 -0.077169  0.000000      6.000000



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




 Dimension of arrays:
   k-points           NKPTS =    145   k-points in BZ     NKDIM =    145   number of bands    NBANDS=     18
   number of dos      NEDOS =    301   number of ions     NIONS =      2
   non local maximal  LDIM  =      8   non local SUM 2l+1 LMDIM =     32
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  12024
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   48
   support grid    NGXF=    48 NGYF=   48 NGZF=   48
   ions per type =               1   1
 NGX,Y,Z   is equivalent  to a cutoff of   8.71,  8.71,  8.71 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  17.42, 17.42, 17.42 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
 SYSTEM =  unknown system
 POSCAR =  Ac Ag

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = acc       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  =      2    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  =  249.8 eV  18.36 Ry    4.28 a.u.   5.90  5.90  5.90*2*pi/ulx,y,z
   ENINI  =  249.8     initial cutoff
   ENAUG  =  543.3 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  5; NELMDL= -5     # of ELM steps
   EDIFF  = 0.1E-03   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000   0.00000
 Ionic relaxation
   EDIFFG = 0.1E-02   stopping-criterion for IOM
   NSW    =     60    number of steps for IOM
   NBLOCK =      1;   KBLOCK =     60    inner block; outer block
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.480E-27a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS = 227.03107.87
  Ionic Valenz
   ZVAL   =  11.00 11.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00 -1.00
  virtual crystal weights
   VCA    =   1.00  1.00
   NELECT =      22.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

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

 Electronic relaxation 2 (details)
   IALGO  =     68    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      T    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.14E-05  absolut break condition
   DEPER  =   0.30     relativ break condition

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      34.00       229.45
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.123847  2.123762 17.184587  1.263032
  Thomas-Fermi vector in A             =   2.260515

 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

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

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



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


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 spin polarized calculation
 RMM-DIIS sequential band-by-band and
  variant of blocked Davidson during initial phase
 perform sub-space diagonalisation
    before 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            7
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces
   (improved forces if not selfconsistent)
 use gradient corrections
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      249.80
  volume of cell :       68.00
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  3.239654000  3.239654000    -0.154337469  0.154337469  0.154337469
     3.239654000  0.000000000  3.239654000     0.154337469 -0.154337469  0.154337469
     3.239654000  3.239654000  0.000000000     0.154337469  0.154337469 -0.154337469

  length of vectors
     4.581562624  4.581562624  4.581562624     0.267320338  0.267320338  0.267320338



 k-points in units of 2pi/SCALE and weight: KPOINTS
   0.00000000  0.00000000  0.00000000       0.000
  -0.00964609  0.00964609  0.00964609       0.002
  -0.01929218  0.01929218  0.01929218       0.002
  -0.02893828  0.02893828  0.02893828       0.002
  -0.03858437  0.03858437  0.03858437       0.002
  -0.04823046  0.04823046  0.04823046       0.002
  -0.05787655  0.05787655  0.05787655       0.002
  -0.06752264  0.06752264  0.06752264       0.002
  -0.07716873  0.07716873  0.07716873       0.001
   0.00000000  0.00000000  0.01929218       0.001
  -0.00964609  0.00964609  0.02893828       0.006
  -0.01929218  0.01929218  0.03858437       0.006
  -0.02893828  0.02893828  0.04823046       0.006
  -0.03858437  0.03858437  0.05787655       0.006
  -0.04823046  0.04823046  0.06752264       0.006
  -0.05787655  0.05787655  0.07716873       0.006
  -0.06752264  0.06752264  0.08681483       0.006
   0.07716873 -0.07716873 -0.05787655       0.006
   0.06752264 -0.06752264 -0.04823046       0.006
   0.05787655 -0.05787655 -0.03858437       0.006
   0.04823046 -0.04823046 -0.02893828       0.006
   0.03858437 -0.03858437 -0.01929218       0.006
   0.02893828 -0.02893828 -0.00964609       0.006
   0.01929218 -0.01929218  0.00000000       0.003
   0.00000000  0.00000000  0.03858437       0.001
  -0.00964609  0.00964609  0.04823046       0.006
  -0.01929218  0.01929218  0.05787655       0.006
  -0.02893828  0.02893828  0.06752264       0.006
  -0.03858437  0.03858437  0.07716873       0.006
  -0.04823046  0.04823046  0.08681483       0.006
  -0.05787655  0.05787655  0.09646092       0.006
   0.08681483 -0.08681483 -0.04823046       0.006
   0.07716873 -0.07716873 -0.03858437       0.006
   0.06752264 -0.06752264 -0.02893828       0.006
   0.05787655 -0.05787655 -0.01929218       0.006
   0.04823046 -0.04823046 -0.00964609       0.006
   0.03858437 -0.03858437  0.00000000       0.003
   0.00000000  0.00000000  0.05787655       0.001
  -0.00964609  0.00964609  0.06752264       0.006
  -0.01929218  0.01929218  0.07716873       0.006
  -0.02893828  0.02893828  0.08681483       0.006
  -0.03858437  0.03858437  0.09646092       0.006
  -0.04823046  0.04823046  0.10610701       0.006
   0.09646092 -0.09646092 -0.03858437       0.006
   0.08681483 -0.08681483 -0.02893828       0.006
   0.07716873 -0.07716873 -0.01929218       0.006
   0.06752264 -0.06752264 -0.00964609       0.006
   0.05787655 -0.05787655  0.00000000       0.003
   0.00000000  0.00000000  0.07716873       0.001
  -0.00964609  0.00964609  0.08681483       0.006
  -0.01929218  0.01929218  0.09646092       0.006
  -0.02893828  0.02893828  0.10610701       0.006
  -0.03858437  0.03858437  0.11575310       0.006
   0.10610701 -0.10610701 -0.02893828       0.006
   0.09646092 -0.09646092 -0.01929218       0.006
   0.08681483 -0.08681483 -0.00964609       0.006
   0.07716873 -0.07716873  0.00000000       0.003
   0.00000000  0.00000000  0.09646092       0.001
  -0.00964609  0.00964609  0.10610701       0.006
  -0.01929218  0.01929218  0.11575310       0.006
  -0.02893828  0.02893828  0.12539919       0.006
   0.11575310 -0.11575310 -0.01929218       0.006
   0.10610701 -0.10610701 -0.00964609       0.006
   0.09646092 -0.09646092  0.00000000       0.003
   0.00000000  0.00000000  0.11575310       0.001
  -0.00964609  0.00964609  0.12539919       0.006
  -0.01929218  0.01929218  0.13504529       0.006
   0.12539919 -0.12539919 -0.00964609       0.006
   0.11575310 -0.11575310  0.00000000       0.003
   0.00000000  0.00000000  0.13504529       0.001
  -0.00964609  0.00964609  0.14469138       0.006
   0.13504529 -0.13504529  0.00000000       0.003
   0.00000000  0.00000000  0.15433747       0.001
   0.00000000  0.01929218  0.03858437       0.006
  -0.00964609  0.02893828  0.04823046       0.012
  -0.01929218  0.03858437  0.05787655       0.012
  -0.02893828  0.04823046  0.06752264       0.012
  -0.03858437  0.05787655  0.07716873       0.012
  -0.04823046  0.06752264  0.08681483       0.012
   0.09646092 -0.07716873 -0.05787655       0.006
   0.00000000  0.01929218  0.05787655       0.006
  -0.00964609  0.02893828  0.06752264       0.012
  -0.01929218  0.03858437  0.07716873       0.012
  -0.02893828  0.04823046  0.08681483       0.012
  -0.03858437  0.05787655  0.09646092       0.012
   0.10610701 -0.08681483 -0.04823046       0.012
   0.09646092 -0.07716873 -0.03858437       0.012
   0.08681483 -0.06752264 -0.02893828       0.012
   0.07716873 -0.05787655 -0.01929218       0.012
   0.06752264 -0.04823046 -0.00964609       0.012
   0.05787655 -0.03858437  0.00000000       0.006
   0.00000000  0.01929218  0.07716873       0.006
  -0.00964609  0.02893828  0.08681483       0.012
  -0.01929218  0.03858437  0.09646092       0.012
  -0.02893828  0.04823046  0.10610701       0.012
   0.11575310 -0.09646092 -0.03858437       0.012
   0.10610701 -0.08681483 -0.02893828       0.012
   0.09646092 -0.07716873 -0.01929218       0.012
   0.08681483 -0.06752264 -0.00964609       0.012
   0.07716873 -0.05787655  0.00000000       0.006
   0.00000000  0.01929218  0.09646092       0.006
  -0.00964609  0.02893828  0.10610701       0.012
  -0.01929218  0.03858437  0.11575310       0.012
   0.12539919 -0.10610701 -0.02893828       0.012
   0.11575310 -0.09646092 -0.01929218       0.012
   0.10610701 -0.08681483 -0.00964609       0.012
   0.09646092 -0.07716873  0.00000000       0.006
   0.00000000  0.01929218  0.11575310       0.006
  -0.00964609  0.02893828  0.12539919       0.012
   0.13504529 -0.11575310 -0.01929218       0.012
   0.12539919 -0.10610701 -0.00964609       0.012
   0.11575310 -0.09646092  0.00000000       0.006
   0.00000000  0.01929218  0.13504529       0.006
   0.14469138 -0.12539919 -0.00964609       0.012
   0.13504529 -0.11575310  0.00000000       0.006
   0.15433747 -0.13504529  0.00000000       0.003
   0.00000000  0.03858437  0.07716873       0.006
  -0.00964609  0.04823046  0.08681483       0.012
  -0.01929218  0.05787655  0.09646092       0.012
   0.12539919 -0.08681483 -0.04823046       0.012
   0.11575310 -0.07716873 -0.03858437       0.006
   0.00000000  0.03858437  0.09646092       0.006
  -0.00964609  0.04823046  0.10610701       0.012
   0.13504529 -0.09646092 -0.03858437       0.012
   0.12539919 -0.08681483 -0.02893828       0.012
   0.11575310 -0.07716873 -0.01929218       0.012
   0.10610701 -0.06752264 -0.00964609       0.012
   0.09646092 -0.05787655  0.00000000       0.006
   0.00000000  0.03858437  0.11575310       0.006
   0.14469138 -0.10610701 -0.02893828       0.012
   0.13504529 -0.09646092 -0.01929218       0.012
   0.12539919 -0.08681483 -0.00964609       0.012
   0.11575310 -0.07716873  0.00000000       0.006
   0.15433747 -0.11575310 -0.01929218       0.006
   0.14469138 -0.10610701 -0.00964609       0.012
   0.13504529 -0.09646092  0.00000000       0.006
   0.15433747 -0.11575310  0.00000000       0.003
   0.15433747 -0.09646092 -0.03858437       0.006
   0.14469138 -0.08681483 -0.02893828       0.012
   0.13504529 -0.07716873 -0.01929218       0.006
   0.15433747 -0.09646092 -0.01929218       0.006
   0.14469138 -0.08681483 -0.00964609       0.012
   0.13504529 -0.07716873  0.00000000       0.006
   0.15433747 -0.09646092  0.00000000       0.003
   0.15433747 -0.07716873  0.00000000       0.001

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

 position of ions in fractional coordinates (direct lattice)
   0.00000000  0.00000000  0.00000000
   0.50000100  0.50000100  0.50000100

 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
   3.23966049  3.23966049  3.23966049



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


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:     609
 k-point  2 :   0.0625 0.0000 0.0000  plane waves:     606
 k-point  3 :   0.1250 0.0000 0.0000  plane waves:     603
 k-point  4 :   0.1875 0.0000 0.0000  plane waves:     592
 k-point  5 :   0.2500 0.0000 0.0000  plane waves:     607
 k-point  6 :   0.3125 0.0000 0.0000  plane waves:     607
 k-point  7 :   0.3750 0.0000 0.0000  plane waves:     607
 k-point  8 :   0.4375 0.0000 0.0000  plane waves:     604
 k-point  9 :   0.5000 0.0000 0.0000  plane waves:     610
 k-point 10 :   0.0625 0.0625 0.0000  plane waves:     605
 k-point 11 :   0.1250 0.0625 0.0000  plane waves:     601
 k-point 12 :   0.1875 0.0625 0.0000  plane waves:     600
 k-point 13 :   0.2500 0.0625 0.0000  plane waves:     603
 k-point 14 :   0.3125 0.0625 0.0000  plane waves:     603
 k-point 15 :   0.3750 0.0625 0.0000  plane waves:     606
 k-point 16 :   0.4375 0.0625 0.0000  plane waves:     604
 k-point 17 :   0.5000 0.0625 0.0000  plane waves:     608
 k-point 18 :  -0.4375 0.0625 0.0000  plane waves:     608
 k-point 19 :  -0.3750 0.0625 0.0000  plane waves:     608
 k-point 20 :  -0.3125 0.0625 0.0000  plane waves:     607
 k-point 21 :  -0.2500 0.0625 0.0000  plane waves:     607
 k-point 22 :  -0.1875 0.0625 0.0000  plane waves:     602
 k-point 23 :  -0.1250 0.0625 0.0000  plane waves:     598
 k-point 24 :  -0.0625 0.0625 0.0000  plane waves:     602
 k-point 25 :   0.1250 0.1250 0.0000  plane waves:     597
 k-point 26 :   0.1875 0.1250 0.0000  plane waves:     597
 k-point 27 :   0.2500 0.1250 0.0000  plane waves:     604
 k-point 28 :   0.3125 0.1250 0.0000  plane waves:     606
 k-point 29 :   0.3750 0.1250 0.0000  plane waves:     609
 k-point 30 :   0.4375 0.1250 0.0000  plane waves:     605
 k-point 31 :   0.5000 0.1250 0.0000  plane waves:     606
 k-point 32 :  -0.4375 0.1250 0.0000  plane waves:     605
 k-point 33 :  -0.3750 0.1250 0.0000  plane waves:     606
 k-point 34 :  -0.3125 0.1250 0.0000  plane waves:     609
 k-point 35 :  -0.2500 0.1250 0.0000  plane waves:     609
 k-point 36 :  -0.1875 0.1250 0.0000  plane waves:     607
 k-point 37 :  -0.1250 0.1250 0.0000  plane waves:     606
 k-point 38 :   0.1875 0.1875 0.0000  plane waves:     596
 k-point 39 :   0.2500 0.1875 0.0000  plane waves:     601
 k-point 40 :   0.3125 0.1875 0.0000  plane waves:     606
 k-point 41 :   0.3750 0.1875 0.0000  plane waves:     609
 k-point 42 :   0.4375 0.1875 0.0000  plane waves:     609
 k-point 43 :   0.5000 0.1875 0.0000  plane waves:     610
 k-point 44 :  -0.4375 0.1875 0.0000  plane waves:     609
 k-point 45 :  -0.3750 0.1875 0.0000  plane waves:     605
 k-point 46 :  -0.3125 0.1875 0.0000  plane waves:     608
 k-point 47 :  -0.2500 0.1875 0.0000  plane waves:     611
 k-point 48 :  -0.1875 0.1875 0.0000  plane waves:     602
 k-point 49 :   0.2500 0.2500 0.0000  plane waves:     592
 k-point 50 :   0.3125 0.2500 0.0000  plane waves:     611
 k-point 51 :   0.3750 0.2500 0.0000  plane waves:     610
 k-point 52 :   0.4375 0.2500 0.0000  plane waves:     609
 k-point 53 :   0.5000 0.2500 0.0000  plane waves:     616
 k-point 54 :  -0.4375 0.2500 0.0000  plane waves:     611
 k-point 55 :  -0.3750 0.2500 0.0000  plane waves:     609
 k-point 56 :  -0.3125 0.2500 0.0000  plane waves:     608
 k-point 57 :  -0.2500 0.2500 0.0000  plane waves:     616
 k-point 58 :   0.3125 0.3125 0.0000  plane waves:     612
 k-point 59 :   0.3750 0.3125 0.0000  plane waves:     615
 k-point 60 :   0.4375 0.3125 0.0000  plane waves:     615
 k-point 61 :   0.5000 0.3125 0.0000  plane waves:     616
 k-point 62 :  -0.4375 0.3125 0.0000  plane waves:     612
 k-point 63 :  -0.3750 0.3125 0.0000  plane waves:     612
 k-point 64 :  -0.3125 0.3125 0.0000  plane waves:     606
 k-point 65 :   0.3750 0.3750 0.0000  plane waves:     616
 k-point 66 :   0.4375 0.3750 0.0000  plane waves:     614
 k-point 67 :   0.5000 0.3750 0.0000  plane waves:     614
 k-point 68 :  -0.4375 0.3750 0.0000  plane waves:     617
 k-point 69 :  -0.3750 0.3750 0.0000  plane waves:     618
 k-point 70 :   0.4375 0.4375 0.0000  plane waves:     620
 k-point 71 :   0.5000 0.4375 0.0000  plane waves:     616
 k-point 72 :  -0.4375 0.4375 0.0000  plane waves:     616
 k-point 73 :   0.5000 0.5000 0.0000  plane waves:     620
 k-point 74 :   0.1875 0.1250 0.0625  plane waves:     597
 k-point 75 :   0.2500 0.1250 0.0625  plane waves:     599
 k-point 76 :   0.3125 0.1250 0.0625  plane waves:     608
 k-point 77 :   0.3750 0.1250 0.0625  plane waves:     608
 k-point 78 :   0.4375 0.1250 0.0625  plane waves:     609
 k-point 79 :   0.5000 0.1250 0.0625  plane waves:     606
 k-point 80 :  -0.4375 0.1250 0.0625  plane waves:     604
 k-point 81 :   0.2500 0.1875 0.0625  plane waves:     599
 k-point 82 :   0.3125 0.1875 0.0625  plane waves:     606
 k-point 83 :   0.3750 0.1875 0.0625  plane waves:     607
 k-point 84 :   0.4375 0.1875 0.0625  plane waves:     611
 k-point 85 :   0.5000 0.1875 0.0625  plane waves:     608
 k-point 86 :  -0.4375 0.1875 0.0625  plane waves:     604
 k-point 87 :  -0.3750 0.1875 0.0625  plane waves:     608
 k-point 88 :  -0.3125 0.1875 0.0625  plane waves:     610
 k-point 89 :  -0.2500 0.1875 0.0625  plane waves:     609
 k-point 90 :  -0.1875 0.1875 0.0625  plane waves:     609
 k-point 91 :  -0.1250 0.1875 0.0625  plane waves:     609
 k-point 92 :   0.3125 0.2500 0.0625  plane waves:     603
 k-point 93 :   0.3750 0.2500 0.0625  plane waves:     609
 k-point 94 :   0.4375 0.2500 0.0625  plane waves:     613
 k-point 95 :   0.5000 0.2500 0.0625  plane waves:     610
 k-point 96 :  -0.4375 0.2500 0.0625  plane waves:     613
 k-point 97 :  -0.3750 0.2500 0.0625  plane waves:     611
 k-point 98 :  -0.3125 0.2500 0.0625  plane waves:     610
 k-point 99 :  -0.2500 0.2500 0.0625  plane waves:     609
 k-point ** :  -0.1875 0.2500 0.0625  plane waves:     613
 k-point ** :   0.3750 0.3125 0.0625  plane waves:     612
 k-point ** :   0.4375 0.3125 0.0625  plane waves:     609
 k-point ** :   0.5000 0.3125 0.0625  plane waves:     611
 k-point ** :  -0.4375 0.3125 0.0625  plane waves:     614
 k-point ** :  -0.3750 0.3125 0.0625  plane waves:     614
 k-point ** :  -0.3125 0.3125 0.0625  plane waves:     612
 k-point ** :  -0.2500 0.3125 0.0625  plane waves:     610
 k-point ** :   0.4375 0.3750 0.0625  plane waves:     611
 k-point ** :   0.5000 0.3750 0.0625  plane waves:     613
 k-point ** :  -0.4375 0.3750 0.0625  plane waves:     614
 k-point ** :  -0.3750 0.3750 0.0625  plane waves:     612
 k-point ** :  -0.3125 0.3750 0.0625  plane waves:     612
 k-point ** :   0.5000 0.4375 0.0625  plane waves:     612
 k-point ** :  -0.4375 0.4375 0.0625  plane waves:     617
 k-point ** :  -0.3750 0.4375 0.0625  plane waves:     613
 k-point ** :  -0.4375 0.5000 0.0625  plane waves:     620
 k-point ** :   0.3750 0.2500 0.1250  plane waves:     608
 k-point ** :   0.4375 0.2500 0.1250  plane waves:     613
 k-point ** :   0.5000 0.2500 0.1250  plane waves:     612
 k-point ** :  -0.4375 0.2500 0.1250  plane waves:     611
 k-point ** :  -0.3750 0.2500 0.1250  plane waves:     602
 k-point ** :   0.4375 0.3125 0.1250  plane waves:     613
 k-point ** :   0.5000 0.3125 0.1250  plane waves:     610
 k-point ** :  -0.4375 0.3125 0.1250  plane waves:     616
 k-point ** :  -0.3750 0.3125 0.1250  plane waves:     614
 k-point ** :  -0.3125 0.3125 0.1250  plane waves:     612
 k-point ** :  -0.2500 0.3125 0.1250  plane waves:     610
 k-point ** :  -0.1875 0.3125 0.1250  plane waves:     613
 k-point ** :   0.5000 0.3750 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.3750 0.1250  plane waves:     613
 k-point ** :  -0.3750 0.3750 0.1250  plane waves:     613
 k-point ** :  -0.3125 0.3750 0.1250  plane waves:     609
 k-point ** :  -0.2500 0.3750 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.4375 0.1250  plane waves:     613
 k-point ** :  -0.3750 0.4375 0.1250  plane waves:     614
 k-point ** :  -0.3125 0.4375 0.1250  plane waves:     616
 k-point ** :  -0.3750 0.5000 0.1250  plane waves:     614
 k-point ** :  -0.4375 0.3750 0.1875  plane waves:     619
 k-point ** :  -0.3750 0.3750 0.1875  plane waves:     617
 k-point ** :  -0.3125 0.3750 0.1875  plane waves:     618
 k-point ** :  -0.3750 0.4375 0.1875  plane waves:     613
 k-point ** :  -0.3125 0.4375 0.1875  plane waves:     615
 k-point ** :  -0.2500 0.4375 0.1875  plane waves:     615
 k-point ** :  -0.3125 0.5000 0.1875  plane waves:     614
 k-point ** :  -0.2500 0.5000 0.2500  plane waves:     616

 maximum number of plane-waves:       620
 maximum index in each direction:
   IXMAX=    6   IYMAX=    5   IZMAX=    5
   IXMIN=   -6   IYMIN=   -6   IZMIN=   -6

 WARNING: aliasing errors must be expected set NGX to  26 to avoid them
 NGY is ok and might be reduce to  24
 NGZ is ok and might be reduce to  24
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

 total amount of memory used by VASP on root node   142468. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :      46048. kBytes
   grid      :      10266. kBytes
   one-center:        196. kBytes
   wavefun   :      55958. kBytes

 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   1331 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      22.0000000 magnetization       0.0040000
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges        11489 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.434
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.00: real time    0.00


