# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = Cs8ZnPb7Br24  (P1) ~ vasp  (VASP)

    PREC = Accurate
   ENCUT = 500.000
  IBRION = -1
     NSW = 0
    ISIF = 2
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 300
 METAGGA = MBJ
   LASPH = .TRUE.
 LMIXTAU = .TRUE.
    ALGO = Damped
    TIME = 0.4
   ISPIN = 2
    LDAU = .TRUE.
LDAUTYPE = 2
   LDAUL = -1 2 -1 -1
   LDAUU = 0 10.0 0 0
   LDAUJ = 0 0 0 0
 LMAXMIX = 4
  INIWAV = 1
  ISTART = 0
  NBANDS = 315
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .TRUE.
 ADDGRID = .FALSE.
    LELF = .TRUE.
   LVTOT = .TRUE.
   LVHAR = .TRUE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 2.35 1.25 1.47 1.14

# Default options for parallel
    NPAR = 64