ELPH SELFEN TEMPS: Difference between revisions
| Line 18: | Line 18: | ||
* {{TAG|ELPH_SELFEN_TEMPS_RANGE}} | * {{TAG|ELPH_SELFEN_TEMPS_RANGE}} | ||
* {{TAG|ELPH_SELFEN_CARRIER_DEN}} | * {{TAG|ELPH_SELFEN_CARRIER_DEN}} | ||
* {{TAG|ELPH_SELFEN_CARRIER_DEN_RANGE}} | |||
* {{TAG|ELPH_SELFEN_CARRIER_PER_CELL}} | |||
* {{TAG|ELPH_SELFEN_MU}} | * {{TAG|ELPH_SELFEN_MU}} | ||
* {{TAG|ELPH_SELFEN_MU_RANGE}} | * {{TAG|ELPH_SELFEN_MU_RANGE}} | ||
Revision as of 14:26, 17 October 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. You can also express a range of temperatures using ELPH_SELFEN_TEMPS_RANGE. Alternatively, one can specify the chemical potential and determine the carrier concentration using ELPH_SELFEN_MU.