A plugin for running Hubbard parameters calculations inside the AiiDAlab Quantum ESPRESSO App.
You can install the plugin from the Plugin store of the AiiDAlab QE app.
If you want to install manually, run
pip install aiidalab-qe-hpthen restart the AiiDA daemon
verdi daemon restartPlease refer to the documentation for more information on how to use this plugin.
If you use the AiiDAlab QE app in your research, please cite:
Wang, X., Bainglass, E., Bonacci, M., Ortega-Guerrero, A. et al.
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
npj. Comput. Mater. 12, 72 (2026). https://doi.org/10.1038/s41524-025-01936-4
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
npj. Comput. Mater. 12, 72 (2026). https://doi.org/10.1038/s41524-025-01936-4
Bastonero, L., Malica, C., Macke, E., Bercx, M., Huber, S., Timrov, I., Marzari, N.
First-principles Hubbard parameters with automated and reproducible workflows
npj. Comput. Mater. 11, 183 (2025).
https://doi.org/10.1038/s41524-025-01685-4