pyiron.dft.waves.bandstructure module

This module is supposed to be common for both electronic and phonon band structures

class pyiron.dft.waves.bandstructure.BandPath(bs_obj, n_points=20)[source]

Bases: object

class pyiron.dft.waves.bandstructure.Bandstructure(structure=None, prec=1e-05)[source]

Bases: pyiron.base.generic.template.PyironObject

append_eigenvalues(ew, ev=None)[source]
from_hdf(hdf=None, group_name=None)[source]

Restore the PyironObject from an HDF5 file

Parameters

  • hdf (ProjectHDFio) – HDF5 group object

  • group_name (str) – HDF5 subgroup name - optional

get_path(num_points=10, path_type='very_short')[source]
get_pathes()[source]

provide dictionary with all predefined Bandstructure pathes for this structure

property path_dict
plot()[source]
set_eigenvalues(ew_list, ev_list=None)[source]
property structure
to_hdf(hdf=None, group_name=None)[source]

Store the PyironObject in an HDF5 file

Parameters

  • hdf (ProjectHDFio) – HDF5 group object

  • group_name (str) – HDF5 subgroup name - optional

translate_to_pylab = {"G'": '$\\Gamma^\\prime$', 'Gamma': '$\\Gamma$'}