VacuumLevelResults
- class ase2sprkkr.asr.gs.VacuumLevelResults(evac2, z_z, evac1, evacmean, evacdiff, efermi_nosoc, dipz, v_z)[source]
Class hierarchy
Constructor
- Parameters:
evac2 (float)
z_z (ndarray)
evac1 (float)
evacmean (float)
evacdiff (float)
efermi_nosoc (float)
dipz (float)
v_z (ndarray)
- __init__(evac2, z_z, evac1, evacmean, evacdiff, efermi_nosoc, dipz, v_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