Band energies in the new GUI
The new GUI reports "band energies" under Vibrational, no "band energies" under Electronic and then "band energy" under Energy.
I would have a few questions about this layout:
- What quantity does the "band energy" under the "Energy" panel refer to?
- I'm assuming that "band energies" under vibrational properties refers to the metainfo reported under
section_k_band_segment(after checking that
band_structure_kind=vibrational). Are the "band energies" statistics based on how many
band_energiesare present, or how many
- Should the electronic band energies included? There should be both electronic and vibrational band energies, identified by the metainfo
I think that reporting something like "electronic band structures" and "phonon band structures" respectively under electronic and vibrational properties would be more informative for the user. The statistics would be based on the presence of
section_k_band_structure and which kind of
band_structure_kind they possess.
What do you think?