ELPH TRANSPORT: Difference between revisions
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Description: Activates transport calculation involving electron-phonon coupling | Description: Activates transport calculation involving electron-phonon coupling | ||
{{Available|6.5.0}} | |||
---- | ---- | ||
When {{ | When {{TAG|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 {{TAG|ELPH_SCATTERING_APPROX}}. | In this framework, the transport coefficients are calculated from various relaxation-time approximations selectable via {{TAG|ELPH_SCATTERING_APPROX}}. | ||
A convenient way to start transport calculations is to set {{ | A convenient way to start transport calculations is to set {{TAG|ELPH_MODE|transport}}, which automatically provides reasonable default values for the required {{FILE|INCAR}} tags. | ||
For more information, visit the how-to page on [[Transport coefficients including electron-phonon scattering|transport calculations]]. | For more information, visit the how-to page on [[Transport coefficients including electron-phonon scattering|transport calculations]]. | ||
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* {{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]] | ||
Latest revision as of 08:09, 24 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.