Electronic minimization SYSTEM = Rh55-ico-hollow-oh-dos PREC = Normal GGA = RP ALGO = fast LREAL = auto EDIFF = 1e-5 ENCUT = 400 NELM = 100 Magnetic Keywords ISPIN = 1 # VOSKOWN = 1 Ionic relaxation NSW = 0 EDIFFG = -0.01 IBRION = -1 POTIM = 0.02 DOS related values ISMEAR = 0 SIGMA = 0.2 Gimme-3 # IVDW = 12 LORBIT = 11 # LVTOR = .True. # LDIPOL = .TRUE. # IDIPOL = 3 # ISYM = 0