SYSTEM = Sample
ISPIN  = 1
GGA    = PE
IVDW = 11
Prec = Accurate

ENCUT = 500
EDIFF = 1E-06
EDIFFG = -0.005
LREAL = Auto
NELM = 150

LMAXMIX= 2 #parameters recommended by VASP; for DFT+U change it to 4
INIMIX = 0
AMIX   = 0.2
BMIX   = 0.0001
AMIX_MAG= 0.8
BMIX_MAG= 0.0001

NSW = 1000
IBRION = 2
POTIM = 0.005
ISIF = 2
NCORE = 32
#KPAR = 5

ISMEAR = 0
SIGMA = 0.05

LORBIT = 11
LASPH = .TRUE.

