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