SYSTEM = Cr Surface LCHARG = FALSE #LWAVE = False PREC = Normal #PREC = Low #ISPIN = 2 ISPIN = 1 ENCUT = 400 EDIFF = 1e-6 #smearing - Fermi if ISMEAR = -1 ISMEAR = 0 SIGMA = 0.05 NELMIN = 3 NELMDL = 2 NELM = 200 LREAL = Auto LPLANE = TRUE ALGO = Fast # 8 cores work on an orbital NCORE = 8 # number of k-point groups KPAR = 4 AMIX = 0.3 #Eon Required Settings #IOPT = 1 #MAXMOVE = 0.1 #FDSTEP = 0.0001 IBRION = 3 POTIM = 0 NSW = 99999999 EDIFFG = -0.01 LWAVE = .FALSE. LCHARG = .FALSE. ISIF = 0 ISYM = 0 LINTERACT = .TRUE.