aiida-siesta 2.0.0

A plugin for Siesta's basic functionality within the AiiDA framework.

A plugin to interface the Siesta DFT code to the AiiDA system.

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 papers.

Acknowledgements

This work is supported by the MaX European Centre of Excellence funded by the Horizon 2020 INFRAEDI-2018-1 program, Grant No. 824143, by the INTERSECT (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 funded by the Swiss National Science Foundation