kaldo.phonons.Phonons.participation_ratio

property Phonons.participation_ratio

Calculates the participation ratio of each normal mode. Participation ratio’s represent the fraction of atoms that are displaced meaning a value of 1 corresponds to translation. Defined by equations in DOI: 10.1103/PhysRevB.53.11469

Returns:

participation_ratio – atomic participation

Return type:

np array(n_k_points, n_modes)