System = NiO # for PLOT DOS # ISMEAR = -5 # better convergence for small kpt grids ISMEAR = 2 SIGMA = 0.05 # converge wave functions EDIFF = 1.E-7 NELMIN = 35 # the energy window to optimize projector channels (absolute) EMIN = -3 EMAX = 10 LMAXMIX = 6 # switch off all symmetries ISYM = -1 # project to Ni d and O p states LORBIT = 14 LOCPROJ = "1 : d : Pr 2 : p : Pr"