.. _examples:

===================
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 <https://github.com/NSLS-II/edrixs/tree/master/examples/cpc>`_.
These are scripts that compute XAS and RIXS for particular physical
models including:

* Single atom model for `Ni <https://github.com/NSLS-II/edrixs/tree/master/examples/cpc/single_atom>`_. See Ref. [1]_ section 5.1.
* A two-site `Ir-Ir cluster <https://github.com/NSLS-II/edrixs/tree/master/examples/cpc/two_site_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 <https://github.com/NSLS-II/edrixs/tree/master/examples/cpc/two_site_cluster>`_.
  See Ref. [1]_ section 5.3. This addresses Ba2YOsO6.


Extended examples
-----------------

Additional examples are available
`here <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS>`_.
Thus far we have addressed.

* Single atom and Anderson impurity models for
  `Ba2YOsO6 <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/Ba2YOsO6>`_.
* Two-site cluster for
  `Ba3InIr2O9 <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/Ba3InIr2O9>`_.
* Single atom model for
  `La2NiO4 <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/La2NiO4>`_
  taken from Ref. [3]_ extended to show how spin direction can influence XAS and RIXS spectra.
* Single atom model for
  `LaNiO3 heterostructures <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/LaNiO3_thin>`_
  taken from Ref. [4]_.
* Heavy fermion example for `plutonium O-edge <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/Pu_O45>`_
* Single atom model for
  `pyrochlore iridates <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/Pyrochlore_227>`_
  taking into account differently oriented octahedra.
* Single atom model for O-edge RIXS on
  `URu2Si2 from <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/URu2Si2>`_
  including both 5f and 5d orbitals from Ref. [5]_.
* Single atom model for
  `L-edge RIXS on URu2Si2 <https://github.com/NSLS-II/edrixs/tree/master/examples/more/RIXS/U_L3>`_
  from Ref. [6]_.


.. rubric:: Footnotes

.. [1] Y. Wang et al.,
       `Comput. Phys. Commun 243, 151-165 (2019) <https://doi.org/10.1016/j.cpc.2019.04.018>`_
.. [2] Y. Wang et al.,
       `Phys. Rev. Lett. 122, 106401 (2019) <https://doi.org/10.1103/PhysRevLett.122.106401>`_.
.. [3] G. Fabbris et al.,
       `Phys. Rev. Lett. 118, 156402 (2017) <https://doi.org/10.1103/PhysRevLett.118.156402>`_
.. [4]  G. Fabbris et al.,
       `Phys. Rev. Lett. 117, 147401 (2016) <https://doi.org/10.1103/PhysRevLett.117.147401>`_
.. [5] L. Andrew Wray et al.,
       `Phys. Rev. Lett. 114, 236401 (2015) <https://doi.org/10.1103/PhysRevLett.114.236401>`_
.. [6] Y. Wang et al.,
       `Phys. Rev. B 96, 085146 (2017) <https://doi.org/10.1103/PhysRevB.96.085146>`_