[Spglib-users] primitive atom consistency

[Noam B. <noa...@nr...>]

Hi - I have a question about finding the primitive cell/atoms from a supercell.  Is it supposed to be guaranteed that (with the python interface) find_primitive returns indices that are consistent with the mapping_to_primitive entry returned by get_symmetry_dataset?  I.e. if get_symmetry_dataset(at)[“mapping_to_primitive”] is 0 for an atom, does that guarantee that it matches the first entry in the items returned from find_primitive?

											Noam