EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
Creators
- 1. Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
- 2. Department of Physics, Applied Physics and Astronomy, Binghamton University-SUNY, Binghamton, NY 13902, USA
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Description
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
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References
Journal reference (Reference paper for the EPW software.) S. Poncé, E.R. Margine, C. Verdi and F. Giustino, Computer Physics Communications 209, 116-133 (2016), doi: 10.1016/j.cpc.2016.07.028
Journal reference (Reference paper for the EPW software.) S. Poncé, E.R. Margine, C. Verdi and F. Giustino, Computer Physics Communications 209, 116-133 (2016)