matlantis_features.features.phonon.utils.get_primitive_structure_auto(atoms: Atoms, prec: float = 0.001) → Atoms#

Transforms the input cell to the primitive cell by automatically analyzing its symmetry.

Parameters

  • atoms (Atoms) – The input structure.

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

Returns

The primitive cell.

Return type

Atoms