https://github.com/aiidaplugins/aiida-epw

AiiDA plugin package for interfacing with the Electron Phonon Wannier (EPW) code.
https://github.com/aiidaplugins/aiida-epw

Last synced: 4 months ago
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AiiDA plugin package for interfacing with the Electron Phonon Wannier (EPW) code.

• Host: GitHub
• URL: https://github.com/aiidaplugins/aiida-epw
• Owner: aiidaplugins
• License: other
• Created: 2025-03-31T03:31:52.000Z (about 1 year ago)
• Default Branch: main
• Last Pushed: 2026-01-16T19:52:31.000Z (5 months ago)
• Last Synced: 2026-01-17T07:27:46.299Z (5 months ago)
• Language: Python
• Homepage: https://aiidaplugins.github.io/aiida-epw/
• Size: 197 KB
• Stars: 0
• Watchers: 1
• Forks: 4
• Open Issues: 11
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
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# `aiida-epw`





This is an [AiiDA](http://www.aiida.net/) plugin for [EPW](https://epw-code.org/).

## Installation

[//]: # (To install from PyPI, simply execute:)

[//]: # (    pip install aiida-epw )

To install from source, execute:

    git clone git@github.com:aiidaplugins/aiida-epw.git

    pip install aiida-epw

## Features

Currently, `aiida-epw` supports the following workflows:

- [`EpwPrepWorkChain`](src/aiida_epw/workflows/prep.py) contains the work chain used to perform EPW coarse grid Fourier transform to real-space

- [`EpwBaseWorkChain`](src/aiida_epw/workflows/base.py) contains base work chain to define momentum grids, validate inputs etc

- [`SuperConWorkChain`](src/aiida_epw/workflows/supercon.py) contains a work chain to compute superconductivity properties. See [M. Bercx et al., PRX Energy 4, 033012 (2025)](https://journals.aps.org/prxenergy/abstract/10.1103/sb28-fjc9) for more information.

- `mobility.py` contains a work chain to compute carrier transport properties - WIP.

## Acknowledgements

This work was supported by the Belgian Fund for Scientific Research - [FNRS](https://www.frs-fnrs.be/en/).



## License

MIT

## Contact

`aiida-epw` is developed and maintained by

* [Marnik Bercx](https://www.psi.ch/en/lms/people/marnik-bercx)

* [Samuel Poncé](https://www.samuelponce.com/) - samuel.ponce@uclouvain.be

* [Yiming Zhang](https://www.samuelponce.com/group#h.h4zp3wph86c2) - yiming.zhang@uclouvain.be