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EPWpy v1.0 is an open-source software package that serves as a wrapper for the EPW code,
enabling ab initio calculations of electron-phonon interactions based on Density-Functional
Perturbation Theory (DFPT) and Maximally Localized Wannier Functions (MLWFs).
EPWpy is released under the permissive three-clause BSD license and is copyrighted to
the EPWpy Collaboration, 2024. The EPWpy Collaboration team includes Dr. Sabyasachi Tiwari (University of Texas at Austin),
Prof. Samuel Poncé (Université Catholique de Louvain), Prof. Roxana Margine (State University of New York at Binghamton),
Prof. Emmanouil Kioupakis (University of Michigan), and Prof. Feliciano Giustino (University of Texas at Austin).
For calculations performed using EPWpy please cite:
H. Lee, S. Ponc\'e, K. Bushick, S. Hajinazar, J. Lafuente-Bartolome, J. Leveillee,
C. Lian, J.-M. Lihm, F. Macheda, H. Mori, H. Paudyal, W. H. Sio, S. Tiwari, M. Zacharias,
X. Zhang, N. Bonini, E. Kioupakis, E. R. Margine, and F. Giustino,
npj Comput. Mater. 9, 156 (2023).
The software tree of EPWpy v1.0 is composed of
./EPWpy -> The main EPWpy package which contains the EPWpy class
./EPWpy/<folders> -> Various subclasses and packages
./test-suite -> test for EPWpy (automatic download of QE in buid directory)
./notebooks_basic -> Basic Jupyter notebooks depicting usage of EPWpy
./examples -> examples for using EPWpy on a terminal
Installation
------------
To compile the code you need to issue python setup.py install
-------------------------------
Installation with Quantum ESPRESSO
------------
To compile the code with QE+EPW you need to issue python setup.py install --withQE True --configs "<QE configuration>" --cores <number of cores to compile>
------------------------------
EPW has a dedicated website that you can access at https://epwpy-code.org
Detailed documentation and tutorials can be found here: https://docs.epwpy-code.org
If you have any questions, please use the forum at https://forum.epw-code.org
The EPWpy Collaboration, Sep 2024
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