Ejemplo n.º 1
0
int kpt_get_ir_triplets_at_q(int weights[],
			     int grid_points[][3],
			     int third_q[],
			     const int grid_point,
			     const int mesh[3],
			     const int is_time_reversal,
			     const MatINT * rotations)
{
  PointSymmetry pointgroup;

  pointgroup = get_point_group_reciprocal(rotations,
					  is_time_reversal);
  return get_ir_triplets_at_q(weights,
			      grid_points,
			      third_q,
			      grid_point,
			      mesh,
			      &pointgroup);
}
Ejemplo n.º 2
0
int kpt_get_ir_triplets_at_q(int map_triplets[],
			     int map_q[],
			     int grid_address[][3],
			     const int grid_point,
			     const int mesh[3],
			     const int is_time_reversal,
			     const MatINT * rotations)
{
  int num_ir;
  MatINT *rot_reciprocal;

  rot_reciprocal = get_point_group_reciprocal(rotations, is_time_reversal);
  num_ir = get_ir_triplets_at_q(map_triplets,
				map_q,
				grid_address,
				grid_point,
				mesh,
				rot_reciprocal);
  mat_free_MatINT(rot_reciprocal);
  return num_ir;
}