Source code for ase2sprkkr.asr.test.mocks.gpaw.utilities.dos

import numpy as np


[docs] def raw_orbital_LDOS(calc, a, spin, angular, nbands=None): eigenvalues = calc.eigenvalues weights_xi = np.zeros(list(eigenvalues.shape) + [len(angular)]) + 1 / len(angular) return eigenvalues[:nbands], weights_xi