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EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions
DC Field | Value | Language |
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dc.contributor.author | Noffsinger, Jesse | - |
dc.contributor.author | Giustino, Feliciano | - |
dc.contributor.author | Malone, Brad D. | - |
dc.contributor.author | Park, Cheol-Hwan | - |
dc.contributor.author | Louie, Steven G. | - |
dc.contributor.author | Cohen, Marvin L. | - |
dc.date.accessioned | 2024-05-16T01:17:48Z | - |
dc.date.available | 2024-05-16T01:17:48Z | - |
dc.date.created | 2023-05-10 | - |
dc.date.created | 2023-05-10 | - |
dc.date.issued | 2010-12 | - |
dc.identifier.citation | Computer Physics Communications, Vol.181 No.12, pp.2140-2148 | - |
dc.identifier.issn | 0010-4655 | - |
dc.identifier.uri | https://hdl.handle.net/10371/202357 | - |
dc.description.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 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.language | 영어 | - |
dc.publisher | Elsevier BV | - |
dc.title | EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/j.cpc.2010.08.027 | - |
dc.citation.journaltitle | Computer Physics Communications | - |
dc.identifier.wosid | 000284184800025 | - |
dc.identifier.scopusid | 2-s2.0-77957900972 | - |
dc.citation.endpage | 2148 | - |
dc.citation.number | 12 | - |
dc.citation.startpage | 2140 | - |
dc.citation.volume | 181 | - |
dc.description.isOpenAccess | Y | - |
dc.contributor.affiliatedAuthor | Park, Cheol-Hwan | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.subject.keywordAuthor | Superconductivity | - |
dc.subject.keywordAuthor | First-principles | - |
dc.subject.keywordAuthor | DFT | - |
dc.subject.keywordAuthor | DFPT | - |
dc.subject.keywordAuthor | Electron-phonon | - |
dc.subject.keywordAuthor | Wannier | - |
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