# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = Opt_BPDATFMB3_4Nmol-1

    PREC = Accurate
   ENCUT = 400.000
  IBRION = 2
     NSW = 100
    ISIF = 2
  NELMIN = 10
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 300
    ALGO = Normal (blocked Davidson)
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = 1
   SIGMA = 0.2
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 0.77 0.32 0.75 0.73 0.72

# Default options for parallel
    NPAR = 4