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

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dc.contributor.authorNoffsinger, Jesse-
dc.contributor.authorGiustino, Feliciano-
dc.contributor.authorMalone, Brad D.-
dc.contributor.authorPark, Cheol-Hwan-
dc.contributor.authorLouie, Steven G.-
dc.contributor.authorCohen, Marvin L.-
dc.date.accessioned2024-05-16T01:17:48Z-
dc.date.available2024-05-16T01:17:48Z-
dc.date.created2023-05-10-
dc.date.created2023-05-10-
dc.date.issued2010-12-
dc.identifier.citationComputer Physics Communications, Vol.181 No.12, pp.2140-2148-
dc.identifier.issn0010-4655-
dc.identifier.urihttps://hdl.handle.net/10371/202357-
dc.description.abstractEPW (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 electron-phonon scattering processes throughout the Brillouin zone, hence reliable calculations can be prohibitively time-consuming. EPW combines the Kohn-Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum ESPRESSO package (see Giannozzi et al., 2009 [1]) with the maximally localized Wannier functions provided by the wannier90 package (see Mostofi et al., 2008 [2]) in order to generate electron-phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation. This feature of EPW leads to fast and accurate calculations of the electron-phonon coupling, and enables the study of the electron-phonon coupling in large and complex systems. © 2010 Elsevier B.V. All rights reserved.-
dc.language영어-
dc.publisherElsevier BV-
dc.titleEPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions-
dc.typeArticle-
dc.identifier.doi10.1016/j.cpc.2010.08.027-
dc.citation.journaltitleComputer Physics Communications-
dc.identifier.wosid000284184800025-
dc.identifier.scopusid2-s2.0-77957900972-
dc.citation.endpage2148-
dc.citation.number12-
dc.citation.startpage2140-
dc.citation.volume181-
dc.description.isOpenAccessY-
dc.contributor.affiliatedAuthorPark, Cheol-Hwan-
dc.type.docTypeArticle-
dc.description.journalClass1-
dc.subject.keywordAuthorSuperconductivity-
dc.subject.keywordAuthorFirst-principles-
dc.subject.keywordAuthorDFT-
dc.subject.keywordAuthorDFPT-
dc.subject.keywordAuthorElectron-phonon-
dc.subject.keywordAuthorWannier-
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  • College of Natural Sciences
  • Department of Physics and Astronomy
Research Area Condensed Matter Physics, Nanoscale Photonics, Nanoscale Physics, 나노 물리와 나노 광자학, 응집 물질 물리

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