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aiidalab-qe-hp

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

Versions collected1

Direct dependencies12From release 0.1.6

Last observed21 Oct, 10:58 UTC

README

Version 0.1.6 documentation

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

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Versions 1

Collected releases

Version	Published	Direct dependencies	Open version
0.1.6	30 Sept 2026	12

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aiidalab/aiidalab-qe-hp

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Observed since 21 Oct, 10:58 UTC

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package:1c44bb11afda8dca0ffcb5c3f8dbcd025971db90084628f21458f94e0fc2d66b