Result
- class ase2sprkkr.asr.projected_bandstructure.Result(symbols, weight_skni, yl_i)[source]
Class hierarchy
Constructor
- Parameters:
symbols (List[str])
weight_skni (List[List[List[float]]])
yl_i (List[Tuple[str, str]])
- __init__(symbols, weight_skni, yl_i)
Instantiate result.
- Parameters:
data (Dict[str, Any]) – Input data to be wrapped.
metadata (dict) – Dictionary containing metadata.
strict (bool or None) – Strictly enforce data entries in data.
- property weight_skni: List[List[List[float]]]
Weight of each projector (indexed by (s, k, n)) on orbitals i.
- property yl_i: List[Tuple[str, str]]
Symbol and orbital angular momentum string (‘y,l’) of each orbital i.
- property symbols: List[str]
Chemical symbols.
- key_descriptions: Dict[str, str] = {'symbols': 'Chemical symbols.', 'weight_skni': 'Weight of each projector (indexed by (s, k, n)) on orbitals i.', 'yl_i': "Symbol and orbital angular momentum string ('y,l') of each orbital i."}
- formats = {'ase_webpanel': <function webpanel>}
- _known_data_keys = {'symbols', 'weight_skni', 'yl_i'}
- strict = True