pyscfad.pbc.gto.cell_lite.CellLite.get_abs_kpts#

CellLite.get_abs_kpts(scaled_kpts)[source]#

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

Parameters:

scaled_kpts – (nkpts, 3) ndarray of floats

Returns:

(nkpts, 3) ndarray of floats

Return type:

abs_kpts