num_wann = 51 ! set to NBANDS by VASP use_bloch_phases = T begin unit_cell_cart 16.0000000 0.0000000 0.0000000 0.0000000 16.0000000 0.0000000 0.0000000 0.0000000 2.4628000 end unit_cell_cart begin atoms_cart C 3.3780344 15.2871627 1.8471000 C 3.3780344 0.7128373 1.8471000 C 1.7171531 2.9575210 1.8471000 C 0.3592905 3.3905551 1.8471000 C 13.6969398 2.5403257 1.8471000 C 12.8481776 1.3950189 1.8471000 C 12.8481776 14.6049811 1.8471000 C 13.6969398 13.4596743 1.8471000 C 0.3592905 12.6094449 1.8471000 C 1.7171531 13.0424790 1.8471000 C 3.1518224 14.6049811 0.6157000 C 3.1518224 1.3950189 0.6157000 C 2.3030602 2.5403257 0.6157000 C 15.6407095 3.3905551 0.6157000 C 14.2828469 2.9575210 0.6157000 C 12.6219656 0.7128373 0.6157000 C 12.6219656 15.2871627 0.6157000 C 14.2828469 13.0424790 0.6157000 C 15.6407095 12.6094449 0.6157000 C 2.3030602 13.4596743 0.6157000 end atoms_cart mp_grid = 1 1 5 begin kpoints 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.200000000000 0.000000000000 0.000000000000 0.400000000000 0.000000000000 0.000000000000 -0.200000000000 0.000000000000 0.000000000000 -0.400000000000 end kpoints transport = true transport_mode = bulk one_dim_axis = z dist_cutoff = 5.5 tran_win_min = -6.5 tran_win_max = 6.5 tran_energy_step = 0.01 fermi_energy = -1.06 dist_cutoff_mode = one_dim translation_centre_frac = 0.0 0.0 0.0