EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

Published: 1 December 2010| Version 1 | DOI: 10.17632/8mysn39568.1
Contributors:
Jesse Noffsinger,
Feliciano Giustino,
Brad D. Malone,
Cheol-Hwan Park,
Steven G. Louie,
Marvin L. Cohen

Description

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract EPW (Electron–Phonon coupling using Wannier functions) is a program written in Fortran90 for calculating the electron–phonon coupling in periodic systems using density-functional perturbation theory and maximally localized Wannier functions. EPW can calculate electron–phonon interaction self-energies, electron–phonon spectral functions, and total as well as mode-resolved electron–phonon coupling strengths. The calculation of the electron–phonon coupling requires a very accurate sampling of el... Title of program: EPW Catalogue Id: AEHA_v1_0 Nature of problem The calculation of the electron-phonon coupling from first principles requires a very accurate sampling of electron-phonon scattering processes throughout the Brillouin zone; hence reliable calculations can be prohibitively timeconsuming. Versions of this program held in the CPC repository in Mendeley Data AEHA_v1_0; EPW; 10.1016/j.cpc.2010.08.027 AEHA_v2_0; EPW; 10.1016/j.cpc.2016.07.028

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