fcdmft.utils.kpts module

fcdmft.utils.kpts.get_kconserv_ria_efficient(cell, kpts, tol=1e-12)

Get the momentum conservation array for single excitation amplitudes for a set of k-points with appropriate k-shift.

Given k-point indices (kshift, m) the array kconserv[kshift,m] returns the index n that satisfies momentum conservation,

(k(m) - k(n) - k(kshift)) dot a = 2npi