# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = (C66N6O15H31)2  (P1)_PMDAODA_6_MT (re-do 903)

    PREC = Normal
   ENCUT = 400.000
  IBRION = 8
     NSW = 1
    ISIF = 2
  NELMIN = 6
   EDIFF = 1.0e-05
 VOSKOWN = 1
  NWRITE = 1
    NELM = 60
    ALGO = Normal (blocked Davidson)
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
LEPSILON = .TRUE.
    LRPA = .FALSE.
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = -5
   LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 0.77 0.75 0.73 0.32

# Default options for parallel
    NPAR = 3