small fix to make sure pymatgen supercell generation finishw
@@ -51,7 +51,7 @@ def get_sc_fromstruct(
struct_sc = None
while struct_sc is None:
struct_sc = _get_sc_from_struct_pmg(base_struct, min_atoms, max_atoms, m_len)
- m_len *= 0.9
+ max_atoms += 1
return struct_sc
