System = NIOOH clean surface
Ionic relaxation
ISTART = 1
NSW = 0 
#NPAR = 4
#NSIM = 12 
###NCORE = 24
LWAVE= .FALSE.
LORBIT =11
NEDOS = 2001
##LCHARG= .FALSE.
EDIFFG =  -0.05
ISIF = 2

IBRION = 2

#Electronic Relaxation
PREC=Accurate 
GGA= PE
ENCUT = 750
EDIFF = 1E-05
LREAL = Auto 
NELM = 500

ALGO = All
ISMEAR = 0
SIGMA = 0.01
ISPIN = 2

#Dipole correction:
LDIPOL = .TRUE.
IDIPOL = 3

#ADD U
LDAU= .TRUE.
LDAUTYPE=2
LDAUL = -1 -1 2 2  # S-1 P1  D2
LDAUU= 0 0 4.0 6.0
LDAUJ= 0 0 0.7 0.5
LASPH = .TRUE.
LDAUPRINT = 2 


NUPDOWN=41
MAGMOM =77*0.1 43*0.2     -5.1  36*2.2


NEDOS = 2000
LORBIT = 11 
LAECHG=.TRUE.  
PREC = A