 vasp.5.4.4 18May18 (build May 18 2018 12:00:00) complex

  running on    1 total cores
  distrk:  each k-point on    1 cores,    1 groups
  distr:  one band on NCORES_PER_BAND=   1 cores,    1 groups

  POTCAR:    PAW_PBE H 08Apr2002
    VRHFIN =H: s
    TITEL  = PAW_PBE H 08Apr2002
  POTCAR:    PAW_PBE O 08Apr2002
    VRHFIN =O: s2p4
    TITEL  = PAW_PBE O 08Apr2002

  ions per type =   2  1

  NIONS =  3

  direct lattice vectors                 reciprocal lattice vectors
     10.0000000   0.0000000   0.0000000   0.1000000   0.0000000   0.0000000
     0.0000000   10.0000000   0.0000000   0.0000000   0.1000000   0.0000000
     0.0000000   0.0000000   10.0000000   0.0000000   0.0000000   0.1000000

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

    DAV:   1    -0.12E+02    0.5E+00    0.5E+00    0.5E+00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction     XX          YY          ZZ          XY          YZ          ZX
  ---------------------------------------------------------------------------
    Alpha Z       0.00        0.00        0.00
    Ewald        -500.00     -500.00     -500.00      0.00        0.00        0.00
  ---------------------------------------------------------------------------
    Total         500.00      500.00      500.00      0.00        0.00        0.00
    in kB   1.6021766208E+03   3.2043532416E+03   8.0108831040E+02   4.0054415520E+02   2.0027207760E+02   1.0013603880E+02
    external pressure =      500.00 kB  Pullay stress =        0.00 kB

  -----------------------------------------------------------------------------
    POSITION                                       TOTAL-FORCE (eV/Angst)
  -----------------------------------------------------------------------------
     5.0000000   7.5000000   5.0000000   0.2000000  -0.1000000   0.0000000
     7.5000000   5.0000000   5.0000000  -0.1000000   0.0500000   0.0000000
     5.0000000   5.0000000   5.0000000  -0.1000000   0.0000000   0.0500000
  -----------------------------------------------------------------------------
     total drift:                                0.00000000   0.00000000   0.00000000

  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  -------------------------------------------------------------------
    free  energy   TOTEN  =       -76.40100000 eV

    energy without entropy= -76.40000000 energy(sigma->0) = -76.40000000

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

    DAV:   1    -0.12E+02    0.5E+00    0.5E+00    0.5E+00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction     XX          YY          ZZ          XY          YZ          ZX
  ---------------------------------------------------------------------------
    Alpha Z       0.00        0.00        0.00
    Ewald        -500.00     -500.00     -500.00      0.00        0.00        0.00
  ---------------------------------------------------------------------------
    Total         500.00      500.00      500.00      0.00        0.00        0.00
    in kB   1.6021766208E+03   3.2043532416E+03   8.0108831040E+02   4.0054415520E+02   2.0027207760E+02   1.0013603880E+02
    external pressure =      500.00 kB  Pullay stress =        0.00 kB

  -----------------------------------------------------------------------------
    POSITION                                       TOTAL-FORCE (eV/Angst)
  -----------------------------------------------------------------------------
     5.0000000   7.3000000   5.0000000   0.1000000  -0.0500000   0.0000000
     7.3000000   5.0000000   5.0000000  -0.0500000   0.0200000   0.0000000
     5.0000000   5.0000000   5.0000000  -0.0500000   0.0000000   0.0200000
  -----------------------------------------------------------------------------
     total drift:                                0.00000000   0.00000000   0.00000000

  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  -------------------------------------------------------------------
    free  energy   TOTEN  =       -76.41100000 eV

    energy without entropy= -76.41000000 energy(sigma->0) = -76.41000000

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

    DAV:   1    -0.12E+02    0.5E+00    0.5E+00    0.5E+00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction     XX          YY          ZZ          XY          YZ          ZX
  ---------------------------------------------------------------------------
    Alpha Z       0.00        0.00        0.00
    Ewald        -500.00     -500.00     -500.00      0.00        0.00        0.00
  ---------------------------------------------------------------------------
    Total         500.00      500.00      500.00      0.00        0.00        0.00
    in kB   1.6021766208E+03   3.2043532416E+03   8.0108831040E+02   4.0054415520E+02   2.0027207760E+02   1.0013603880E+02
    external pressure =      500.00 kB  Pullay stress =        0.00 kB

  -----------------------------------------------------------------------------
    POSITION                                       TOTAL-FORCE (eV/Angst)
  -----------------------------------------------------------------------------
     5.0000000   7.4000000   5.0000000   0.0100000  -0.0100000   0.0000000
     7.4000000   5.0000000   5.0000000  -0.0100000   0.0050000   0.0000000
     5.0000000   5.0000000   5.0000000  -0.0100000   0.0000000   0.0050000
  -----------------------------------------------------------------------------
     total drift:                                0.00000000   0.00000000   0.00000000

  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  -------------------------------------------------------------------
    free  energy   TOTEN  =       -76.42100000 eV

    energy without entropy= -76.42000000 energy(sigma->0) = -76.42000000
