treams.PlaneWaveBasisByComp.diffr_orders

classmethod PlaneWaveBasisByComp.diffr_orders(kpar, lattice, bmax)

Create a basis set for a two-dimensional periodic system.

The reciprocal lattice to the given lattice is taken to consider all diffraction orders that lie within the defined maximal radius (in reciprocal space).

Example

>>> PlaneWaveBasisByComp.diffr_orders([0, 0], Lattice.square(2 * np.pi), 1)
PlaneWaveBasisByComp(
    kx=[ 0.  0.  0.  0.  0.  0.  1.  1. -1. -1.],
    ky=[ 0.  0.  1.  1. -1. -1.  0.  0.  0.  0.],
    pol=[1 0 1 0 1 0 1 0 1 0],
)
Parameters:

  • kpar (float) – Tangential wave vector components. Ideally they are in the first Brillouin zone (use misc.firstbrillouin2d()).

  • lattice (treams.Lattice or float) – Lattice definition or pitch.

  • bmax (float) – Maximal change of tangential wave vector components. So, this defines a maximal momentum transfer.