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:
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
2 maintainers
Metadata
2 maintainers
Release files for aiidalab-qe-hp 0.1.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| aiidalab_qe_hp-0.1.6.tar.gz | 12.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| aiidalab_qe_hp-0.1.6-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 25.6 kB
Release files / aiidalab_qe_hp-0.1.6.tar.gz
| Download URL | aiidalab_qe_hp-0.1.6.tar.gz |
|---|---|
| Size | 12.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
|
Release files / aiidalab_qe_hp-0.1.6-py3-none-any.whl
| Download URL | aiidalab_qe_hp-0.1.6-py3-none-any.whl |
|---|---|
| Size | 13.6 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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|
BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
|
