Stage_1/INCAR output for 776: heter_biocl_ws2

Status: finished

# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
NPAR = 16
NCORE = 8
# End of extra input

SYSTEM =  heter_biocl_ws2

    PREC = Normal
   ENCUT = 520.000
  IBRION = 2
     NSW = 100
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-06
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 6
    ALGO = Fast (Davidson and RMM-DIIS)
    IVDW = 12
  VDW_S6 = 1.000
  VDW_S8 = 0.7875
  VDW_A1 = 0.4289
  VDW_A2 = 4.4407
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .TRUE.
  LCHARG = .TRUE.
 ADDGRID = .TRUE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.30 1.02 1.46 0.99 0.73

# Default options for parallel
    NPAR = 128