tbplas.gen_kpath

tbplas.gen_kpath(hs_kpoints: ndarray, num_interp: Tuple[int, ...] | List[int] | ndarray) → Tuple[ndarray, ndarray]

Generate path in the reciprocal space connecting highly symmetric k-points. :param hs_kpoints: (nk, 3) float64 array

fractional coordinates of highly symmetric k-points

Parameters:

num_interp – (nk-1, ) tuple of integers numbers of intermediate k-points between two highly symmetric k-points

Returns:

(kpath, hs_index) kpath: (sum(num_interp)+1, 3) float64 array fractional coordinates of k-points along the path hs_index: (nk, ) int32 array indices of highly symmetric k-points in kpath