ELPH SELFEN TEMPS: Difference between revisions

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(Created page with "{{elph_release}} {{DISPLAYTITLE:ELPH_SELFEN_TEMPS}} {{TAGDEF|ELPH_SELFEN_TEMPS|[real array]|0 100 200 300 400 500}} Description: list of temperatures for which to compute the electron self-energy due to electron-phonon coupling. ---- This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a Transport_coeffici...")
 
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{{elph_release}}
{{DISPLAYTITLE:ELPH_SELFEN_TEMPS}}
{{DISPLAYTITLE:ELPH_SELFEN_TEMPS}}
{{TAGDEF|ELPH_SELFEN_TEMPS|[real array]|0 100 200 300 400 500}}
{{TAGDEF|ELPH_SELFEN_TEMPS|[real array]|0 100 200 300 400 500}}


Description: list of temperatures for which to compute the electron self-energy due to electron-phonon coupling.
Description: List of temperatures for which to compute the electron self-energy due to electron-phonon coupling.


----
----


This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a [[Transport_coefficients_including_electron-phonon_scattering|transport calculation]].
This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a [[Transport_coefficients_including_electron-phonon_scattering|transport calculation]].
While {{TAG|ISMEAR}} refers to the occupation factors used in the self-consistent cycle for the <b>k</b> points specified by the  {{FILE|KPOINTS}} file, this tag refers to the determination of the chemical potential for the Kohn-Sham states computed with the converged charge density on a <b>k</b> points grid specified by {{FILE|KPOINTS_ELPH}}.


The chemical potential is determined for the list of temperatures {{TAG|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by
The chemical potential is determined for the list of temperatures {{TAG|ELPH_SELFEN_TEMPS}} and carrier concentrations specified by
{{TAG|ELPH_SELFEN_CARRIER_DEN}} or {{TAG|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG|ELPH_SELFEN_MU}}.
{{TAG|ELPH_SELFEN_CARRIER_DEN}} or {{TAG|ELPH_SELFEN_CARRIER_PER_CELL}}. Alternatively, one can specify the chemical potential and determine the carrier concentration using {{TAG|ELPH_SELFEN_MU}}.
==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_FAN}}
* {{TAG|ELPH_SELFEN_DW}}
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]

Latest revision as of 15:09, 19 December 2024

ELPH_SELFEN_TEMPS = [real array]
Default: ELPH_SELFEN_TEMPS = 0 100 200 300 400 500 

Description: List of temperatures for which to compute the electron self-energy due to electron-phonon coupling.


This list of temperatures is used to determine the chemical potential, the occupation factors entering the electron self-energy due to electron-phonon coupling as well as the transport coefficients in the context of a transport calculation.

The chemical potential is determined for the list of temperatures ELPH_SELFEN_TEMPS and carrier concentrations specified by ELPH_SELFEN_CARRIER_DEN or ELPH_SELFEN_CARRIER_PER_CELL. Alternatively, one can specify the chemical potential and determine the carrier concentration using ELPH_SELFEN_MU.

Related tags and articles