Examples

Here we outline the examples available.

Examples from our CPC paper

The original examples from our Computer Physics Communications paper [1] are kept in our GitHub repository. These are scripts that compute XAS and RIXS for particular physical models including:

  • Single atom model for Ni. See Ref. [1] section 5.1.

  • A two-site Ir-Ir cluster model. See Ref. [1] section 5.2. This allows the modeling of dimer excitations in RIXS where electrons transition between atoms. We used this model in our manuscript on Ba5AlIr2O11. [2]

  • Anderson impurity model. See Ref. [1] section 5.3. This addresses Ba2YOsO6.

Extended examples

Additional examples are available here. Thus far we have addressed.

Footnotes