ELPH TRANSPORT: Difference between revisions
Add availability notice |
|||
| Line 18: | Line 18: | ||
* {{TAG|ELPH_MODE}} | * {{TAG|ELPH_MODE}} | ||
* {{TAG|ELPH_SCATTERING_APPROX}} | * {{TAG|ELPH_SCATTERING_APPROX}} | ||
* {{TAG|ELPH_TRANSPORT_DRIVER}} | |||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | [[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | ||
Revision as of 20:12, 22 October 2025
ELPH_TRANSPORT = [logical]
Default: ELPH_TRANSPORT = .FALSE.
Description: Activates transport calculation involving electron-phonon coupling
| Mind: Available as of VASP 6.5.0 |
When ELPH_TRANSPORT = True, VASP calculates the transport coefficients from the linearized Boltzmann transport equation.
In this framework, the transport coefficients are calculated from various relaxation-time approximations selectable via ELPH_SCATTERING_APPROX.
A convenient way to start transport calculations is to set ELPH_MODE = transport, which automatically provides reasonable default values for the required INCAR tags.
For more information, visit the how-to page on transport calculations.