ELPH SELFEN FAN: Difference between revisions
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{{DISPLAYTITLE:ELPH_SELFEN_FAN}} | {{DISPLAYTITLE:ELPH_SELFEN_FAN}} | ||
{{TAGDEF|ELPH_SELFEN_FAN| | {{TAGDEF|ELPH_SELFEN_FAN|[logical]|.FALSE.}} | ||
Description: Controls whether the Fan-Migdal contribution is included in the calculation of the phonon-induced electron self-energy. | Description: Controls whether the Fan-Migdal contribution is included in the calculation of the phonon-induced electron self-energy. | ||
{{Available|6.5.0}} | |||
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/results/electron_phonon/electrons/self_energy_1/selfen_fan | /results/electron_phonon/electrons/self_energy_1/selfen_fan | ||
</pre> | </pre> | ||
==Related tags and articles== | |||
* [[Bandgap renormalization due to electron-phonon coupling|Bandstructure renormalization]] | |||
* [[Transport coefficients including electron-phonon scattering|Transport calculations]] | |||
* {{TAG|ELPH_RUN}} | |||
* {{TAG|ELPH_SELFEN_DW}} | |||
* {{TAG|ELPH_SELFEN_STATIC}} | |||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | |||
Latest revision as of 14:24, 17 January 2025
ELPH_SELFEN_FAN = [logical]
Default: ELPH_SELFEN_FAN = .FALSE.
Description: Controls whether the Fan-Migdal contribution is included in the calculation of the phonon-induced electron self-energy.
| Mind: Available as of VASP 6.5.0 |
The phonon-induced electron self-energy has two contributions at second order in perturbation theory, the Fan-Migdal self-energy and the real-valued Debye-Waller self-energy. ELPH_SELFEN_FAN controls the computation of the former, while the latter can be computed via ELPH_SELFEN_DW.
The result is reported individually for each self-energy accumulator in the vaspout.h5 file as
/results/electron_phonon/electrons/self_energy_1/selfen_fan