num_wann = 4 num_iter = 20 begin atoms_cart Si 0.000000000 0.000000000 0.000000000 H 1.056551000 1.056551000 1.056551000 H 1.056551000 -1.056551000 -1.056551000 H -1.056551000 1.056551000 -1.056551000 H -1.056551000 -1.056551000 1.056551000 end atoms_cart begin projections Si:sp3 end projections begin unit_cell_cart bohr 12.0 0.0 0.0 0.0 12.0 0.0 0.0 0.0 12.0 end unit_cell_cart mp_grid : 1 1 1 gamma_only : true begin kpoints 0.0 0.0 0.0 end kpoints