siesta-project / aiida_siesta_plugin

Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
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AiiDA Siesta plugins and workflows

A plugin to interface the Siesta DFT code <https://siesta-project.org/siesta/> to the AiiDA system <http://www.aiida.net/>.

Documentation can be found in:

http://aiida-siesta-plugin.readthedocs.io

If you use this package in your research, please consider citing J. Chem. Phys. 152, 204108 (2020) (https://doi.org/10.1063/5.0005077) and the relevant aiida-core <https://github.com/aiidateam/aiida-core>_ papers.

Acknowledgements

This work is supported by the MaX European Centre of Excellence <http://www.max-centre.eu/> funded by the Horizon 2020 INFRAEDI-2018-1 program, Grant No. 824143, by the INTERSECT <https://intersect-project.eu/> (Interoperable material-to-device simulation box for disruptive electronics) project, funded by Horizon 2020 under grant agreement No 814487, and by the Spanish MINECO (projects FIS2012-37549-C05-05 and FIS2015-64886-C5-4-P). We thank the AiiDA team, who are also supported by the MARVEL National Centre for Competency in Research <http://nccr-marvel.ch> funded by the Swiss National Science Foundation <http://www.snf.ch/en>