SYSTEM = cathode
ENCUT = 520
ISPIN = 2
ISTART = 0
ICHARG = 2
NELMIN = 4
EDIFF = 1E-5
EDIFFG = -0.01
NSW = 500
IBRION = 2
ISIF = 2
ISYM = 0
POTIM = 0.2
ISMEAR = 0
SIGMA = 0.05
ALGO = F
LWAVE = .FALSE.
LCHARG = .FALSE.
LDAU = .TRUE.
LDATYPE = 2
LDAUL =   -1   2       -1    
LDAUU =   0    5.95    0    
LDAUJ =   0    0.95    0    
LDAUPRINT = 2
LMAXMIX = 4
LREAL = Auto
NCORE = 32
NELECT = 423
IVDW = 11

