AiiDA plugin for Quantum ESPRESSO

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Welcome to documentation of the AiiDA plugin for the Quantum ESPRESSO code!

The plugin is available at http://github.com/aiidateam/aiida-quantumespresso

If you use this plugin and/or AiiDA for your research, please cite the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); http://dx.doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

Indices and tables

Acknowledgements

We acknowledge support from the NCCR MARVEL funded by the Swiss National Science Foundation and the EU Centre of Excellence “MaX – Materials Design at the Exascale”. (Horizon 2020 EINFRA-5, Grant No. 676598).

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