ELPH SELFEN TEMPS: Difference between revisions
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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. | ||
{{Available|6.5.0}} | |||
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Revision as of 14:27, 17 January 2025
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.
| Mind: Available as of VASP 6.5.0 |
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.