SYSTEM = O22_H1
# Electronic

ISTART = 1
ENCUT=500.00
PREC=A 
ISMEAR=0;SIGMA=0.05;   
GGA = PE
EDIFF=1E-07
ISPIN = 2
ELMIN = 4

#PBE+U
LDAU      = .TRUE.
LDAUTYPE  = 2
LDAUL     = -1   2    -1   -1
LDAUU     = 0.00 3.30 0.00 0.00
LDAUJ     = 0.00 0.00 0.00 0.00
LDAUPRINT = 2
LMAXMIX   = 4 

LASPH = .TRUE.

# Ionic
IMAGES = 1 #number of img between iniial and final state
SPRING = -5 #spring constant linking the images
LCLIMB = .TRUE. # climbing image improvement on the NEB method
IBRION=1
EDIFFG=-1E-04;
NSW=200                                                          
ISIF=2 

LWAVE=.FALSE.   
NCORE=4
ADDGRID=.TRUE.
