CASTEP .param file
From ScotGrid
comment : Cu110 Surface 5 Layers task : singlepoint xc_functional : PBE spin_polarized : false opt_strategy : Speed basis_precision : Fine grid_scale : 1.75 finite_basis_corr : 0 elec_energy_tol : 0.0000010000 max_scf_cycles : 100 fix_occupancy : false metals_method : EDFT num_occ_cycles : 4 nextra_bands : 4 smearing_width : 0.1000000000 calculate_stress : false popn_calculate : false calculate_densdiff : false pdos_calculate_weights : false num_dump_cycles : 0
