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

Published: 19 Nov 2016 | Version 1 | DOI: 10.17632/gd9hxv3t62.1
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Description of this data

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 QE-forge at http://qe-forge.org/gf/project/q-e.

The previous version of this program (AEHA_v1_0) may be found at http://dx.doi.org/10.1016/j.cpc.2010.08.027.

Experiment data files

peer reviewed

This data is associated with the following peer reviewed publication:

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

Published in: Computer Physics Communications

Latest version

  • Version 1

    2016-11-19

    Published: 2016-11-19

    DOI: 10.17632/gd9hxv3t62.1

    Cite this dataset

    Ponce, Samuel; Margine, E. R.; Verdi, C.; Giustino, F. (2016), “EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions”, Mendeley Data, v1 http://dx.doi.org/10.17632/gd9hxv3t62.1

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Natural Sciences

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GPLv3 Learn more

The files associated with this dataset are licensed under a GNU Public License Version 3 licence.

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