electron_phonon.chemical_potential¶
(
- data_context,
- **kwargs
)
Provides access to the electron-phonon chemical potential data calculated during an electron-phonon calculation.
This class allows users to retrieve information about the chemical potential, carrier density, Fermi energy, and related quantities as computed in electron-phonon calculations. It also provides access to the INCAR tag used to set the carrier density.
label
str
Get a descriptive label for the electron-phonon chemical potential data.
This can be useful for plotting or identifying the type of data.
Returns
str- A label indicating the type of data contained in this object and its units.
mu_tag
Tuple[str, ndarray[tuple[Any, ...], dtype[_ScalarT]]]
Get the INCAR tag and value used to set the carrier density or chemical potential.
Returns
Tuple[str, ndarray[tuple[Any, ...], dtype[_ScalarT]]]- The INCAR tag name and its corresponding value as set in the calculation. Possible tags are ‘selfen_carrier_den’, ‘selfen_mu’, or ‘selfen_carrier_per_cell’.
Notes
The method checks for the presence of carrier density, chemical potential, or carrier per cell in the raw data and returns the first one found.
path
read
selections
dict
Returns possible alternatives for this particular quantity VASP can produce.
The returned dictionary contains a single item with the name of the quantity mapping to all possible selections. Each of these selection may be passed to other functions of this quantity to select which output of VASP is used. Some quantities provide additional elements which can be passed as selection for other routines.
Returns
dict- The key indicates this quantity and the values possible choices for arguments to other functions of this quantity.
to_dict
Dict[str, Any]
Convert the electron-phonon chemical potential data to a dictionary.
Returns
Dict[str, Any]- A dictionary containing the Fermi energy, chemical potential, carrier density, temperatures, and the INCAR tag/value used to set the carrier density.