def get_commensurate_points(supercell_matrix):  # wrt primitive cell
    """Commensurate q-points are returned.

    Parameters
    ----------
    supercell_matrix : array_like
        Supercell matrix with respect to primitive cell basis vectors.
        shape=(3, 3)
        dtype=intc

    """

    smat = np.array(supercell_matrix, dtype=int)
    rec_primitive = PhonopyAtoms(numbers=[1],
                                 scaled_positions=[[0, 0, 0]],
                                 cell=np.diag([1, 1, 1]),
                                 pbc=True)
    rec_supercell = get_supercell(rec_primitive, smat.T)
    q_pos = rec_supercell.get_scaled_positions()
    return np.array(np.where(q_pos > 1 - 1e-15, q_pos - 1, q_pos),
                    dtype='double', order='C')
def get_commensurate_points ( supercell_matrix ) : smat = np . array ( supercell_matrix , dtype = int ) rec_primitive = PhonopyAtoms ( numbers = [ 1 ] , scaled_positions = [ [ 0 , 0 , 0 ] ] , cell = np . diag ( [ 1 , 1 , 1 ] ) , pbc = True ) rec_supercell = get_supercell ( rec_primitive , smat . T ) q_pos = rec_supercell . get_scaled_positions ( ) return np . array ( np . where ( q_pos > 1 - 1e-15 , q_pos - 1 , q_pos ) , dtype = 'double' , order = 'C' )
Commensurate q-points are returned.

    Parameters
    ----------
    supercell_matrix : array_like
        Supercell matrix with respect to primitive cell basis vectors.
        shape=(3, 3)
        dtype=intc