EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions

DOI

The EPW (Electron-Phonon coupling using Wannier functions) software is a Fortran90 code that uses density-functional perturbation theory and maximally localized Wannier functions for computing electron-phonon couplings and related properties in solids accurately and efficiently. The EPW v4 program can be used to compute electron and phonon self-energies, linewidths, electron-phonon scattering rates, electron-phonon coupling strengths, transport spectral functions, electronic velocities, resistivity, anisotropic superconducting gaps and spectral functions within the Migdal-Eliashberg theory. The code now supports spin-orbit coupling, time-reversal symmetry in non-centrosymmetric crystals, polar materials, and k and q-point parallelization. Considerable effort was dedicated to optimization and parallelization, achieving almost a ten times speedup with respect to previous releases. A computer test farm was implemented to ensure stability and portability of the code on the most popular compilers and architectures. Since April 2016, version 4 of the EPW code is fully integrated in and distributed with the Quantum ESPRESSO package, and can be downloaded through at https://gitlab.com/QEF/q-e

Identifier
DOI https://doi.org/10.24435/materialscloud:tf-kf
Related Identifier https://doi.org/10.1016/j.cpc.2016.07.028
Related Identifier https://www.sciencedirect.com/science/article/pii/S0010465516302260?via%3Dihub
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:vb-yp
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:416
Provenance
Creator Poncé, Samuel; Margine, Elena Roxana; Verdi, Carla; Giustino, Feliciano
Publisher Materials Cloud
Contributor Poncé, Samuel; Margine, Elena Roxana; Verdi, Carla; Giustino, Feliciano
Publication Year 2020
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/markdown; application/x-tar
Discipline Materials Science and Engineering