aiidalab-qe-hp 0.1.5

AiiDALab plugin for Quantum ESPRESSO Hubbard parameters (HP) calculations.

AiiDAlab QE app Hubbard parameters plugin

A plugin for running Hubbard parameters calculations inside the AiiDAlab Quantum ESPRESSO App.

Installation

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-hp

then restart the AiiDA daemon

verdi daemon restart

Documentation

Please refer to the documentation for more information on how to use this plugin.

Cite

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

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