# DOS input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = Optical_PMDABAPP_2_3chains_geomfrom958

    PREC = Accurate
   ENCUT = 400.000
  IBRION = -1
     NSW = 0
    ISIF = 0
  NELMIN = 2
   EDIFF = 1.0e-05
 VOSKOWN = 1
  NWRITE = 1
    NELM = 60
    ALGO = Fast (Davidson and RMM-DIIS)
    IVDW = 1
    LVDW = .TRUE.
  VDW_S6 = 0.75
VDW_SCALING = 0.75
   ISPIN = 1
  INIWAV = 1
  ISTART = 0
  NBANDS = 2604
  ICHARG = 11
 LOPTICS = .TRUE.
  CSHIFT = 0.1
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 0.77 0.32 0.75 0.73
   NEDOS = 3000

# Default options for parallel
    NPAR = 3