jarvis.io.phonopy.outputs

Module for post-processing phonopy outputs.

Module Contents

Functions

bandstructure_plot(band_yaml='', plot=False)

Get phonopy bandstructure info.

total_dos(tot_dos='', plot=False)

Get total dos info.

read_fc(filename='FORCE_CONSTANTS')

Read phonopy generated force constants.

get_phonon_tb(atoms=[], fc=[], out_file='phonopyTB_hr.dat', distance_to_A=1.0, scell=np.array([[1, 0, 0], [0, 1, 0], [0, 0, 1]]), factor=None, symprec=1e-05, displacement_distance=0.01)

Generate phonon TB Hamiltonia, along with WannierHamn.

jarvis.io.phonopy.outputs.bandstructure_plot(band_yaml='', plot=False)[source]

Get phonopy bandstructure info.

jarvis.io.phonopy.outputs.total_dos(tot_dos='', plot=False)[source]

Get total dos info.

jarvis.io.phonopy.outputs.read_fc(filename='FORCE_CONSTANTS')[source]

Read phonopy generated force constants.

jarvis.io.phonopy.outputs.get_phonon_tb(atoms=[], fc=[], out_file='phonopyTB_hr.dat', distance_to_A=1.0, scell=np.array([[1, 0, 0], [0, 1, 0], [0, 0, 1]]), factor=None, symprec=1e-05, displacement_distance=0.01)[source]

Generate phonon TB Hamiltonia, along with WannierHamn.