pyscfad.pbc.gto.cell.Cell.get_scaled_kpts#

Cell.get_scaled_kpts(abs_kpts, kpts_in_ibz=True)[source]#

Get scaled k-points, given absolute k-points in 1/Bohr.

Args:

abs_kpts : (nkpts, 3) ndarray of floats or KPoints object

kpts_in_ibzbool: If True, return k-points in IBZ; otherwise, return k-points in BZ. Default value is True. This has effects only if abs_kpts is a KPoints object

Returns:

scaled_kpts : (nkpts, 3) ndarray of floats