VacuumLevelResults

class ase2sprkkr.asr.gs.VacuumLevelResults(v_z, evacmean, dipz, evac2, efermi_nosoc, evacdiff, evac1, z_z)[source]

Class hierarchy

Inheritance diagram of ase2sprkkr.asr.gs.VacuumLevelResults

Constructor

Parameters:
  • v_z (ndarray) –

  • evacmean (float) –

  • dipz (float) –

  • evac2 (float) –

  • efermi_nosoc (float) –

  • evacdiff (float) –

  • evac1 (float) –

  • z_z (ndarray) –

__init__(v_z, evacmean, dipz, evac2, efermi_nosoc, evacdiff, evac1, z_z)

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 z_z: ndarray

Grid points for potential [Å].

property v_z: ndarray

Electrostatic potential [eV].

property evacdiff: float

Difference of vacuum levels on both sides of slab [eV].

property dipz: float

Out-of-plane dipole [e * Ang].

property evac1: float

Top side vacuum level [eV].

property evac2: float

Bottom side vacuum level [eV]

property evacmean: float

Average vacuum level [eV].

property efermi_nosoc: float

Fermi level without SOC [eV].

key_descriptions: Dict[str, str] = {'dipz': 'Out-of-plane dipole [e * Ang].', 'efermi_nosoc': 'Fermi level without SOC [eV].', 'evac1': 'Top side vacuum level [eV].', 'evac2': 'Bottom side vacuum level [eV]', 'evacdiff': 'Difference of vacuum levels on both sides of slab [eV].', 'evacmean': 'Average vacuum level [eV].', 'v_z': 'Electrostatic potential [eV].', 'z_z': 'Grid points for potential [Å].'}
_known_data_keys = {'dipz', 'efermi_nosoc', 'evac1', 'evac2', 'evacdiff', 'evacmean', 'v_z', 'z_z'}
strict = True