EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Noffsinger, Jesse, Giustino, Feliciano, Malone, Brad D., Park, Cheol-Hwan, Louie, Steven G., Cohen, Marvin L. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2010
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/8mysn39568 |
Daftar Isi:
- 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