ELPH TRANSPORT EMAX: Difference between revisions
(→Related tags and articles: Update related info) |
(→Related tags and articles: Add transport tag to related info) |
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* [[Transport coefficients including electron-phonon scattering|Transport calculations]] | * [[Transport coefficients including electron-phonon scattering|Transport calculations]] | ||
* {{TAG | ELPH_RUN}} | * {{TAG | ELPH_RUN}} | ||
* {{TAG | ELPH_TRANSPORT}} | |||
* {{TAG | ELPH_TRANSPORT_EMIN}} | * {{TAG | ELPH_TRANSPORT_EMIN}} | ||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | [[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | ||
Latest revision as of 15:12, 20 December 2024
ELPH_TRANSPORT_EMAX = [real]
Description: Upper bound of the energy window in which states are considered for transport calculations.
In transport calculations, only a small amount of electronic states around the chemical potential have a sizeable contribution. Therefore, in order to improve performance, only states inside an energy window centered around the chemical potential are considered during the calculation. By default, the location and width of the energy window are determined automatically by VASP. By setting ELPH_TRANSPORT_EMIN and ELPH_TRANSPORT_EMAX, one can control the energy window manually.