pyscfad.pbc.gto.cell.Cell.get_abs_kpts#

Cell.get_abs_kpts(scaled_kpts)[source]#

Get absolute k-points (in 1/Bohr), given “scaled” k-points in fractions of lattice vectors.

Args:

scaled_kpts : (nkpts, 3) ndarray of floats

Returns:

abs_kpts : (nkpts, 3) ndarray of floats