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

Journal article

The EPW (Electron-Phonon coupling using Wannier functions) software is a Fortran90 code that uses densityfunctional 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 noncentrosymmetric 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 QE-forge at http://qe-forge.org/gf/project/q-e

Authors: Poncé, S; Verdi, C; Margine, E; Giustino, F

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: Elsevier
• Journal: Computer Physics Communications
• Volume: 209
• Pages: 116–133
• Publication date: 2016-01-01
• Acceptance date: 2016-07-17
• DOI: 10.1016/j.cpc.2016.07.028
• EISSN: 1879-2944
• ISSN: 0010-4655
• Keywords: electron-phonon coupling; Wannier functions; superconductivity; electronic transport