# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
SYSTEM = * NdGa7O12  (P1) ~ beta-Ga2O3.cif  (VASP)

    PREC = Normal
   ENCUT = 400.000
  IBRION = 2
     NSW = 1000
    ISIF = 3
  NELMIN = 2
   EDIFF = 1.0e-05
  EDIFFG = -0.02
 VOSKOWN = 1
  NBLOCK = 1
  NWRITE = 1
    NELM = 1000
    ALGO = Normal (blocked Davidson)
   ISPIN = 2
MAGMOM = 0.012 -0.022 -0.006 -0.019 2*0 -0.001 0 0.006 0.002 0.02 0.014 0.585 \
0.188 0.003 0.046 0.005 0.001 2*0
    LDAU = .TRUE.
LDAUTYPE = 2
   LDAUL = -1 -1 -1
   LDAUU = 0 0 0
   LDAUJ = 0 0 0
  INIWAV = 1
  ISTART = 0
  ICHARG = 2
   LWAVE = .FALSE.
  LCHARG = .FALSE.
 ADDGRID = .FALSE.
  ISMEAR = 0
   SIGMA = 0.05
   LREAL = .FALSE.
LSCALAPACK = .FALSE.
RWIGS = 1.64 1.26 0.73

# Default options for parallel
    NPAR = 64