# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = H* + NH2-Si on surface slat V5

    PREC = Normal
   ENCUT = 400.000
  IBRION = 2
     NSW = 800
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 200
    ALGO = Normal (blocked Davidson)
   ISPIN = 2
MAGMOM = -0.003 0 -0.001 0.001 0 0.017 0.06 0.014 -0.001 0.006 3*0.001 0 -0.002 0 0.018 0.01 0.004 0 -0.004 -0.001 0.001 0.164 0.017 0 0.016 -0.039 0.006 0.001 0 2*0.001 -0.001 -0.007 0.022 0.001 0.004 3*0 -0.001 2*0 0.001 2*0 0.002 0.001 0.006 -0.001 0.014 0.001 -0.002 20*0
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = 1
   SIGMA = 0.2
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.11 0.73 0.99 0.32 0.75

# Default options for parallel
    NPAR = 4