diff --git a/macrodensity/tools.py b/macrodensity/tools.py index 9d76c73..b90e228 100644 --- a/macrodensity/tools.py +++ b/macrodensity/tools.py @@ -65,7 +65,7 @@ def bulk_interstitial_alignment( vasp_pot, NGX, NGY, NGZ, lattice = read_vasp_density(locpot, quiet=True) vector_a, vector_b, vector_c, av, bv, cv = matrix_2_abc(lattice) grid_pot, electrons = density_2_grid( - vasp_pot, NGX, NGY, NGZ, Format="VASP" + vasp_pot, NGX, NGY, NGZ, config=="VASP" ) ## GETTING BAND EDGES @@ -160,7 +160,7 @@ def _find_active_space( vasp_pot, NGX, NGY, NGZ, lattice = read_vasp_density(input_file) vector_a, vector_b, vector_c, av, bv, cv = matrix_2_abc(lattice) grid_pot, electrons = density_2_grid( - vasp_pot, NGX, NGY, NGZ, Format="VASP" + vasp_pot, NGX, NGY, NGZ, config=="VASP" ) cutoff_variance = tolerance