SYSTEM = CO adsorption on Ni(111)

ICHARG = 1 

# electronic minimization
ENCUT  = 400 
ISMEAR = -5
ALGO   = Fast
EDIFF  = 1E-6

AMIX    = 0.4 
LMAXMIX = 6 

# partial DOS
NEDOS  = 5001
EMIN   = -10 
EMAX   = 10
LORBIT = 11
NBANDS = 48

# dipole correction
LDIPOL = .TRUE.
IDIPOL = 3 
DIPOL  = 0.5 0.5  0.452747064661102
LVHAR  = .TRUE.
