aiida-hubbard
AiiDA plugin for the first-principles calculation of Hubbard parameters.
This is also the official AiiDA plugin for the HP code of Quantum ESPRESSO.
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Compatibility matrix
The matrix below assumes the user always install the latest patch release of the specified minor version, which is recommended.
| Plugin | AiiDA | Python | Quantum ESPRESSO |
|---|---|---|---|
>= v0.6.0 |
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v0.3.0 <= v0.5.0 |
|
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v0.1.0 <= v0.2.0 |
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|
![Quantum ESPRESSO compatibility][QE v7.2-7.4] |
Installation
To install using pip, simply execute:
pip install aiida-hubbard
or when installing from source:
git clone https://github.com/aiidateam/aiida-hubbard
pip install aiida-hubbard
Pseudopotentials
Pseudopotentials are installed and managed through the aiida-pseudo plugin.
The easiest way to install pseudopotentials, is to install a version of the SSSP through the CLI of aiida-pseudo.
Simply run
aiida-pseudo install sssp
to install the default SSSP version.
List the installed pseudopotential families with the command aiida-pseudo list.
You can then use the name of any family in the command line using the -F flag.
Contributing
Great that you want to contribute! See the developer guide in the documentation for instructions.
1 maintainer
Metadata
1 maintainer
Release files for aiida-hubbard 0.7.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| aiida_hubbard-0.7.0.tar.gz | 51.9 kB | Without provenance | Details for aiida_hubbard-0.7.0.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| aiida_hubbard-0.7.0-py3-none-any.whl | Python 3 | none | any | Details for aiida_hubbard-0.7.0-py3-none-any.whl |
Total release size: 117.2 kB
Release files / aiida_hubbard-0.7.0.tar.gz
| Download URL | aiida_hubbard-0.7.0.tar.gz |
|---|---|
| Size | 51.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
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Release files / aiida_hubbard-0.7.0-py3-none-any.whl
| Download URL | aiida_hubbard-0.7.0-py3-none-any.whl |
|---|---|
| Size | 65.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
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Security for aiida-hubbard 0.7.0
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