! Gallium Arsenide: Tutorial Example 1 num_wann = 4 num_iter = 20 ! SYSTEM begin unit_cell_cart bohr -5.367 0.000 5.367 0.000 5.367 5.367 -5.367 5.367 0.000 end unit_cell_cart begin atoms_frac Ga 0.00 0.00 0.00 As 0.25 0.25 0.25 end atoms_frac begin projections As:sp3 end projections ! KPOINTS mp_grid : 2 2 2 begin kpoints 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.0 0.5 0.0 0.5 0.5 0.5 0.0 0.5 0.5 0.5 end kpoints !We set this flag to read the bloch states from !a formatted file. This is to ensure the example !works on all platforms. The default (.false.) state !should be used on production runs wvfn_formatted=.true.