QEpy
====
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         :alt: QEpy
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      **QEpy** turns **Quantum ESPRESSO (QE)** into a Python DFT engine for nonstandard workflows. **QEpy** allows the user to include external potentials, use custom xc functionals, and can also be used as a calculator for ASE.

      .. button-link:: https://github.com/Quantum-MultiScale/QEpy
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         GitHub Repo

      .. button-link:: https://qepy.rutgers.edu/
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         qepy.rutgers.edu

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.. _qepy-developers:

QEpy developers
---------------
Feel free to contact the developers:
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

- `Xuecheng Shao <https://sites.rutgers.edu/prg/people/xuecheng-shao/>`_
- `Michele Pavanello <https://sasn.rutgers.edu/about-us/faculty-staff/michele-pavanello>`_
- `Aniket Mandal <https://sites.rutgers.edu/prg/people/aniket-mandal/>`_

On-line
-------
Feel free to create new issues, merge requests or fork your own QEpy on our GitHub page: `https://github.com/Quantum-MultiScale/QEpy <https://github.com/Quantum-MultiScale/QEpy>`_

.. _qepy-learn:

Learn about it
--------------

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.. admonition:: External site
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   Official site: `qepy.rutgers.edu <https://qepy.rutgers.edu/index.html>`_ 

.. _qepy-videos:

YouTube videos
--------------

`QEpy Youtube Playlist <https://youtube.com/playlist?list=PLDgw3fS4ncAHr13_d2LOLAS0xAzgZ-lhZ&si=h4-55Iezab7eIeqG>`_

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