System = NiO # better convergence for small kpt grids ISMEAR = 2 SIGMA = 0.04 # converge wave functions EDIFF = 1.E-7 NELMIN = 35 # the energy window to optimize projector channels (absolute) EMIN = -3 EMAX = 12 LMAXMIX = 6 # project to Ni d and O p states LORBIT = 14 LOCPROJ = "1 : d : Pr 2 : p : Pr"