matlantis_features.features.phonon.utils.get_primitive_structure_from_primitive_matrix(atoms: Atoms, primitive_matrix: ndarray, prec: float = 0.001) → Tuple[Atoms, ndarray]#

Transforms the input unit cell to the primitive cell according to the axis provided.

Parameters

  • atoms (Atoms) – The input structure.

  • primitive_matrix (np.ndarray) – the primitive cell basis vectors.

  • prec (float, optional) – Wrapper the input structure into the primitive cell with certain
    precision. Defaults to 0.001.

Returns

The primitive cell.

Return type

tuple[Atoms, np.ndarray]