Add description for core-hole systems
This issue is to keep track of the data schema for describing a system with a core-hole. We should at least capture:
-
The position of the hole. The quantum descriptors for its state / energy level should for sure be included. Though, we should also consider adding additional labels, e.g. the edge nomenclature used in spectroscopy. This should also be made searchable in the GUI. -
Where the electron was excited to, i.e. just above the Fermi level or to the vacuum level. In case of the latter, we might need to have better descriptions for the background charge. -
Whether the excitation was complete or half.