gpw2eigs
Full name: ase2sprkkr.asr.utils.gpw2eigs.gpw2eigs
- ase2sprkkr.asr.utils.gpw2eigs.gpw2eigs(gpw, soc=True, return_spin=False, theta=0, phi=0, symmetry_tolerance=1e-07)[source]
Give the eigenvalues w or w/o spinorbit coupling and the corresponding fermi energy.
- Parameters:
(str) (gpw) –
soc (None, bool) – use spinorbit coupling if None it returns both w and w/o
bands (slice, list of ints or None) – None gives parameters.convergence.bands if possible else all bands
- Returns:
containg eigenvalues and fermi levels w and w/o spinorbit coupling
- Return type:
dict or e_skn, efermi