SYSTEM = H2 reference for CP CuH adsorption
ENCUT = 550
PREC = Accurate
EDIFF = 1E-6
EDIFFG = -0.02
NELM = 160
ALGO = Normal
ISMEAR = 0
SIGMA = 0.1
ISPIN = 1
ISYM = 0
LREAL = .FALSE.
LWAVE = .FALSE.
LCHARG = .FALSE.
NCORE = 1
NBANDS = 8
IBRION = 2
POTIM = 0.2
NSW = 40
ISIF = 2
NELECT = 2
LCEP = .FALSE.
LSOL = .FALSE.
