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