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}} | |||
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Latest revision as of 14:27, 17 January 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.