SYSTEM = Cu-O: LCHARG = FALSE #LWAVE = False PREC = Nor #ISPIN = 2 ISPIN = 1 ENCUT = 270 NELMIN = 4 NELM = 100 LREAL = Auto LPLANE = TRUE ALGO = Fast NSIM = 4 NCORE = 12 ISYM = 0 #smearing - Fermi if ISMEAR = -1 ISMEAR = 0 SIGMA = 0.05 #Eon Required Settings IBRION = 3 POTIM = 0 NSW = 99999999 EDIFFG = -1e-6 LWAVE = .FALSE. LCHARG = .FALSE. ISIF = 0 ISYM = 0 LINTERACT = .TRUE.