kaldo.phonons.Phonons.pdos

Phonons.pdos(p_atoms=None, direction=None, bandwidth=0.05, n_points=200)

Calculate the atom projected phonon density of states. Total density of states can be computed by specifying all atom indices in p_atoms. p_atoms input format is flexible: - Providing a list of atom indices will return the single pdos summed over those atoms - Providing a list of lists of atom indices will return one pdos for each set of indices

Returns:

• frequency (np array(n_points)) – Frequencies

• pdos (np.array(n_projections, n_points)) – pdos for each set of projected atoms and directions