# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = Ti_(CH3)3_DMA away from H2N-TiN surface

    PREC = Normal
   ENCUT = 400.000
  IBRION = -1
     NSW = 0
    ISIF = 2
  NELMIN = 2
   EDIFF = 1e-08
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 200
    ALGO = Normal (blocked Davidson)
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  NBANDS = 2412
  ICHARG = 2
   LWAVE = .TRUE.
  LCHARG = .TRUE.
 ADDGRID = .FALSE.
  ISMEAR = 1
   SIGMA = 0.2
   LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 1.45 0.75 0.32 0.77

# Default options for parallel
    NPAR = 4