jarvis.io.wien2k.outputs

Module to parse WIEN2k outputs.

Module Contents

Functions

read_band_energy(energy_file='FeSe.energy', plot=True, band_plot='band.png')

Read case.energy file.

read_scf(scf_file='FeSe.scf')

Read case.scf file.

band_eigvals(energy_file='FeSe.energy', plot=False, band_file='band.png')

Get bandstructure eigenvalues.

read_spaghetti_ene(filename='ICSD-76748.spaghetti_ene')

Obtain data for plotting bandstructure.

jarvis.io.wien2k.outputs.read_band_energy(energy_file='FeSe.energy', plot=True, band_plot='band.png')[source]

Read case.energy file.

jarvis.io.wien2k.outputs.read_scf(scf_file='FeSe.scf')[source]

Read case.scf file.

jarvis.io.wien2k.outputs.band_eigvals(energy_file='FeSe.energy', plot=False, band_file='band.png')[source]

Get bandstructure eigenvalues.

jarvis.io.wien2k.outputs.read_spaghetti_ene(filename='ICSD-76748.spaghetti_ene')[source]

Obtain data for plotting bandstructure.