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': '$\\Gamma$'}¶