SYSTEM = CO adsorption on Ni(111)

ICHARG = 1 

# electronic minimization
ENCUT  = 400
PREC   = Acc
ISMEAR = 0
SIGMA  = 0.05
ALGO   = Fast
EDIFF  = 1E-7

AMIX    = 0.4 
LMAXMIX = 6 

# finite differences
IBRION = 5
POTIM  = 0.015
NFREE  = 2

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