skued.structure_factor

skued.structure_factor(crystal, h, k, l, normalized=False)

Computation of the static structure factor for electron diffraction.

Parameters:

• crystal (Crystal) – Crystal instance

• h (array_likes or floats) –

  Miller indices. Can be given in a few different formats:

  • floats : returns structure factor computed for a single scattering vector

  • 3 coordinate ndarrays, shapes (L,M,N) : returns structure factor computed over all coordinate space

• k (array_likes or floats) –

  Miller indices. Can be given in a few different formats:

  • floats : returns structure factor computed for a single scattering vector

  • 3 coordinate ndarrays, shapes (L,M,N) : returns structure factor computed over all coordinate space

• l (array_likes or floats) –

  Miller indices. Can be given in a few different formats:

  • floats : returns structure factor computed for a single scattering vector

  • 3 coordinate ndarrays, shapes (L,M,N) : returns structure factor computed over all coordinate space

• normalized (bool, optional) – If True, the normalized structure factor :math`E` is returned. This is the statis structure factor normalized by the sum of form factors squared.

Returns:

sf – Output is the same shape as input G[0]. Takes into account the Debye-Waller effect.

Return type:

ndarray, dtype complex