diff --git a/pyxtal/util.py b/pyxtal/util.py index f6abe1f8..955d0827 100644 --- a/pyxtal/util.py +++ b/pyxtal/util.py @@ -529,7 +529,7 @@ def generate_wp_lib(spg_list, composition, count = 0 for i in range(max_fu, min_fu-1, -1): letters, _, wp_ids = g.list_wyckoff_combinations( - composition*i, num_wp=(min_wp, max_wp), Nmax=100000) + composition*i, numWp=num_wp, Nmax=100000) for j, wp in enumerate(wp_ids): wp_dofs = 0 num = 0