- matlantis_features.features.phonon.utils.get_primitive_structure_auto(atoms: Atoms, prec: float = 0.001) Atoms #
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Transforms the input cell to the primitive cell by automatically analyzing its symmetry.
- Parameters
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atoms (Atoms) – The input structure.
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prec (float, optional) – Wrapper the input structure into the primitive cell with certain
precision. Defaults to 0.001.
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- Returns
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The primitive cell.
- Return type
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Atoms
Resource Library
matlantis_features.features.phonon.utils.get_primitive_structure_auto