ELPH DRIVER: Difference between revisions
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{{DISPLAYTITLE:ELPH_DRIVER}} | {{DISPLAYTITLE:ELPH_DRIVER}} | ||
{{TAGDEF|ELPH_DRIVER|el {{!}} mels|el}} | {{TAGDEF|ELPH_DRIVER|el {{!}} mels|el}} | ||
Description: Chooses which driver to use for electron-phonon calculations. | Description: Chooses which driver to use for electron-phonon calculations. | ||
{{Available|6.5.0}} | |||
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;{{TAGO|ELPH_DRIVER|mels}} | ;{{TAGO|ELPH_DRIVER|mels}} | ||
:Computes the electron-phonon matrix elements and writes them to the {{FILE|vaspelph.h5}} file. | :Computes the electron-phonon matrix elements and writes them to the {{FILE|vaspelph.h5}} file. | ||
==Related tags and articles== | |||
* {{TAG|ELPH_RUN}} | |||
* {{TAG|ELPH_DECOMPOSE}} | |||
* {{TAG|ELPH_SELFEN_FAN}} | |||
* {{TAG|ELPH_SELFEN_DW}} | |||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | |||
Latest revision as of 14:21, 17 January 2025
ELPH_DRIVER = el | mels
Default: ELPH_DRIVER = el
Description: Chooses which driver to use for electron-phonon calculations.
| Mind: Available as of VASP 6.5.0 |
This is a high-level tag that chooses what to compute during an electron-phonon calculation. Currently, the following drivers are supported:
ELPH_DRIVER = el- Computes the phonon-induced electron self-energy.
ELPH_DRIVER = mels- Computes the electron-phonon matrix elements and writes them to the vaspelph.h5 file.