# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = MD_573K__298K_BPADATPEQ3_4Nmol

    PREC = Accurate
   ENCUT = 400.000
  IBRION = 0
     NSW = 30
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
    ISYM = 0
   SMASS = 0
   POTIM = 4.0
  NBLOCK = 1
   TEBEG = 573
   TEEND = 298
  NWRITE = -1
    NELM = 60
    ALGO = Normal (blocked Davidson)
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = 1
   SIGMA = 0.2
   LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 0.77 0.32 0.75 0.73

# Default options for parallel
    NPAR = 4