tbplas.gen_kpath

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

Generate path in the reciprocal space connecting highly symmetric k-points.

Parameters:

• hs_kpoints – (nk, 3) float64 array fractional coordinates of highly symmetric k-points

• 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

Raises:

ValueError – if len(num_interp) != nk - 1