quantum-espresso/EPW
Iurii Timrov 703775c736 DFT+U interface with Wannier90 & visualization of Hubbard projectors 2024-11-29 16:53:23 +00:00
..
ZG
bin
doc
examples
irobjs
src
.dependencies
CMakeLists.txt
License
Makefile
README
epw.md

README

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 EPW v5.9 is an open-source community code for ab initio calculations of electron-phonon 
 interactions using Density-Functional Perturbation Theory and Maximally Localized Wannier 
 Functions.
 EPW is distributed as part of the Quantum ESPRESSO suite, therefore please cite
     "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
      URL http://www.quantum-espresso.org",
 in publications or presentations arising from this work. More details at
 http://www.quantum-espresso.org/quote
 Please also consider citing the EPW papers:
 1) F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 76, 165108 (2007)
 2) For calculations performed using EPW v4 through v5.6: 
      S. Ponc\'e, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016).
    For calculations performed using EPW v5.7 and beyond:
      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 EPW v5.9 is composed of
 /bin ==> Contains the epw.x soft link to the EPW executable.
 /examples  ==> Contains a lists of examples that are connected to the tutorials. The 
          tutorials can be found at http://epw.org.uk/Documentation/Tutorial
 /src ==> Contains all the EPW source files.
 ../test-suite/epw_* ==> Small tests useful for debugging and checking if the code works. 
          Those tests are used by the test farm. Do not expect physically relevant results out of it. 
 /ZG  ==> A set of codes for calculations of electron-phonon interactions via the
          special displacement method.
 Installation
 ------------
 To compile the code you first need to issue ./configure in /espresso. 
 Indeed EPW rely on the make.sys file created by QE. 
 Then you can run ./make inside espresso/EPW.
 EPW dedicated website and forum
 -------------------------------
 EPW has a dedicated website that you can access at https://epw-code.org
 Detailed documentation and tutorials can be found here: https://docs.epw-code.org
 If you have any questions, please use the forum at https://forum.epw-code.org
 @ The EPW Collaboration, Aug 2023