diff --git a/docs/source/user_guide/workflows.rst b/docs/source/user_guide/workflows.rst index d43e2121..e4877f2d 100644 --- a/docs/source/user_guide/workflows.rst +++ b/docs/source/user_guide/workflows.rst @@ -819,11 +819,11 @@ See tests for a usage example: https://github.com/JuDFTteam/aiida-kkr/blob/devel Combine impurities to a larger impurity cluster +++++++++++++++++++++++++++++++++++++++++++++++ -The ``aiida_kkr.workflows.combine_imps_wc`` combines impurities to a larger cluster as discussed in the method paper [R. Mozumbder et al., Phys Rev Materials 8, 104201 (2024)]. +The ``aiida_kkr.workflows.combine_imps_wc`` combines impurities to a larger cluster as discussed in the method paper [R. Mozumder *et al.*, Phys Rev Materials **8**, 104201 (2024)]. .. note:: Please cite the following paper if you use this workflow: - Rubel Mozumder, Johannes Wasmer, David Antognini Silva, Stefan Blügel and Philipp Rüßmann, High-throughput magnetic co-doping and design of exchange interactions in topological insulators, Phys. Rev. Materials 8, 104201 (2024). doi: https://doi.org/10.1103/PhysRevMaterials.8.104201 + Rubel Mozumder, Johannes Wasmer, David Antognini Silva, Stefan Blügel and Philipp Rüßmann, *High-throughput magnetic co-doping and design of exchange interactions in topological insulators*, Phys. Rev. Materials **8**, 104201 (2024). doi: https://doi.org/10.1103/PhysRevMaterials.8.104201 See API documentation for inputs/outputs: https://aiida-kkr.readthedocs.io/en/latest/module_guide/workflows.html#module-aiida_kkr.workflows._combine_imps @@ -843,7 +843,7 @@ See tests for a usage example: https://github.com/JuDFTteam/aiida-kkr/blob/devel STM scan around magnetic impurities +++++++++++++++++++++++++++++++++++ -The ``aiida_kkr.workflows.kkr_STM_wc`` workflow allows to simulate the local DOS around impurities in a large area around an impurity region simulating an STM scan in the Tersoff-Hamann approximation. This allows to resolve, for instance, Friedel oscillations around impurities in the spirit of [Fig. 1, P. Rüßmann, P. Mavropoulos, and S. Blügel, Phys. Status Solidi B, 258, 2000031 (2020). https://doi.org/10.1002/pssb.202000031]. +The ``aiida_kkr.workflows.kkr_STM_wc`` workflow allows to simulate the local DOS around impurities in a large area around an impurity region simulating an STM scan in the Tersoff-Hamann approximation. This allows to resolve, for instance, Friedel oscillations around impurities in the spirit of [Fig. 1, P. Rüßmann, P. Mavropoulos, and S. Blügel, Phys. Status Solidi B, **258**, 2000031 (2020). https://doi.org/10.1002/pssb.202000031]. See API documentation for inputs/outputs: https://aiida-kkr.readthedocs.io/en/latest/module_guide/workflows.html#module-aiida_kkr.workflows.kkr_STM