fermi_level
Full name: ase2sprkkr.asr.utils.calculator_utils.fermi_level
- ase2sprkkr.asr.utils.calculator_utils.fermi_level(calc, eigenvalues=None, nelectrons=None, nspins=None)[source]
Get Fermi level at T=0 from calculation.
This works by filling in the appropriate number of electrons.
- Parameters:
calc (ASE Calculator) – ASE calculator
eigenvalues (ndarray, shape=(nspins, nkpoints, nbands)) – eigenvalues (taken from calc if None)
nelectrons (float, optional) – number of electrons (taken from calc if None)
nspins (int) – Number of spins that eigenvalues are provided for (default=2). Ie. 2 when both spin-channels are represented in eps_skn or 1 if only 1 spin-channel is represented in eps_skn.
- Returns:
fermi_level – fermi level in eV
- Return type:
float