treams.misc.firstbrillouin3d

treams.misc.firstbrillouin3d(kpar, b, n=2)

Map wave vector to first Brillouin zone in 3D.

The reduction to the first Brillouin zone is first approximated roughly. From this approximated vector and its 26 neighbours, the shortest one is picked. As a sufficient approximation is not guaranteed (especially for extreme geometries), this process is iterated n times.

Parameters:

  • kpar (1d-array) – parallel wave vector

  • b (2d-array) – reciprocal lattice vectors

  • n (int) – number of iterations

Returns:

(1d-array)