System = NIOOH clean surface
Ionic relaxation
ISTART = 1
#NSW = 300
#NCORE = 12
LWAVE= .FALSE.
LCHARG= .FALSE.
#EDIFFG =  -0.001
ISIF = 2
#NWRITE =11
EDIFFG =-0.001

IBRION = 6 
#MD
#ISYM=0
POTIM = 0.015
#TEBEG = 330; TEEND = 330

#Electronic Relaxation
GGA= PE
ENCUT = 450
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 = 2 -1 -1   # S-1 P1  D2
#LDAUU= 6.0 0 0 
#LDAUJ= 0.5 0 0
#LASPH = .TRUE.
#LDAUPRINT = 2