pyiron.atomistics.structure.phonopy module¶
-
pyiron.atomistics.structure.phonopy.
analyse_phonopy_equivalent_atoms
(atoms, symprec=1e-05, angle_tolerance=- 1.0)[source]¶ - Args: (read phonopy.structure.spglib for more details)
- symprec:
float: Symmetry search tolerance in the unit of length.
- angle_tolerance:
- float: Symmetry search tolerance in the unit of angle deg.
If the value is negative, an internally optimized routine is used to judge symmetry.