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

1(1,2,3,4)

Y. Wang et al., Comput. Phys. Commun 243, 151-165 (2019)

2

Y. Wang et al., Phys. Rev. Lett. 122, 106401 (2019).

3

G. Fabbris et al., Phys. Rev. Lett. 118, 156402 (2017)

4

G. Fabbris et al., Phys. Rev. Lett. 117, 147401 (2016)

5

L. Andrew Wray et al., Phys. Rev. Lett. 114, 236401 (2015)

6

Y. Wang et al., Phys. Rev. B 96, 085146 (2017)