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.

pyiron.atomistics.structure.phonopy.publication()[source]