SYSTEM = BiVO4

GGA=PE #PBE
#electronic minimization methods
ALGO=All #algorithm for electronic optimization (default - blocked Davidson iteration scheme)
ENCUT=500
#
NELM=500 #max number of electronic steps
#
EDIFF=1E-5 #energy convergence criterion
#
ISMEAR = 0 #gaussian 
#
SIGMA=0.02 #smearing width in eV
ICHARG=1
#
ISPIN=2 # 1 for non-spin polarized, 2 for spin-polarized calc.
#default ENCUT - largest ENMAX in POTCAR. Increase by 25-30% when relaxing cell parameters
LORBIT=11
#use LORBIT=10/11/12 to write DOSCAR and PROCAR (number specifies how much info PROCAR contains)

#ionic minimization methods
IBRION=-1 #(1: quasi-Newton, 2: conjugate gradient, 5/6: phonon frequencies (6 for symmetry considerations)
NSW=0

#other
#MAGMOM for spin-polarized: No of ions (safest to start by multiplying by 1.2 or 1.5). Only if no WAVECAR and CHGCAR are present, or if they were generated with ICHARG=1 (this sometimes converges easier))
#NUPDOWN sets difference between number of up and down spin electrons
#set number of cores used with NCOR
LASPH=.TRUE.
#IDIPOL multipole correction for slab calculations, 1-3 for a direction (use the direction perpendicular to surface), 4 for all directions
IDIPOL=3
LDIPOL=.TRUE.
LVTOT=.TRUE.
LWAVE=.FALSE.
LHFCALC=.TRUE.
AEXX=0.10
NPAR=4
NEDOS=10000