Result

class ase2sprkkr.asr.projected_bandstructure.Result(weight_skni, yl_i, symbols)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.asr.projected_bandstructure.Result

Constructor

Parameters:
  • weight_skni (List[List[List[float]]]) –

  • yl_i (List[Tuple[str, str]]) –

  • symbols (List[str]) –

__init__(weight_skni, yl_i, symbols)

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