SYSTEM   = NiO

ISTART   = 0

# Magnetism FM
ISPIN    = 2 
MAGMOM   = 2*5  2*5 4*0
LASPH    = T 

# FFT grid
ENCUT    = 450 
PREC     = Acc

# Convergence criterion
EDIFF    = 1E-7

# Smearing/k integration
ISMEAR   = -5
EFERMI   = MIDGAP

# Algorithm and density mixing
ALGO     = Normal
IMIX     = 4
AMIX     = 0.8
BMIX     = 0.00001
AMIX_MAG = 0.8
BMIX_MAG = 0.00001
LMAXMIX  = 4

# compute bandgap
BANDGAP = WEIGHT

# compute on-site moment
LORBIT  = 11

# Exchange-correlation functional
XC        = CA
LDAU      = .TRUE.
LDAUTYPE  = 2
LDAUL     = 2 -1
LDAUU     = 8.00 0.00
LDAUJ     = 0.95 0.00
LDAUPRINT = 1
