| begin projections | |
| f=0,0,0:sp3 | |
| end projections | |
| num_wann = 4 | |
| iprint = 2 | |
| num_iter = 50000 | |
| write_bvec = .true. | |
| bands_plot = .true. | |
| begin kpoint_path | |
| G 0.00000 0.00000 0.00000 X 0.50000 0.00000 0.50000 | |
| X 0.50000 0.00000 0.50000 U 0.62500 0.25000 0.62500 | |
| U 0.62500 0.25000 0.62500 K 0.37500 0.37500 0.75000 | |
| K 0.37500 0.37500 0.75000 G 0.00000 0.00000 0.00000 | |
| G 0.00000 0.00000 0.00000 L 0.50000 0.50000 0.50000 | |
| end kpoint_path | |
| bands_plot_format = gnuplot | |
| dis_num_iter = 5000 | |
| num_print_cycles = 10 | |
| conv_tol = 1E-12 | |
| conv_window = 4 | |
| write_hr = .true. | |