ELPH SCATTERING APPROX: Difference between revisions
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There are different approximations to compute the electronic lifetimes due to electron-phonon scattering. Each of these can lead to significantly different transport coefficients. | |||
== Options to select == | |||
=== CRTA === | === CRTA === | ||
Constant relaxation time approximation | Constant relaxation time approximation |
Revision as of 09:02, 8 October 2024
Warning: This page is under construction! This page contains information about the upcoming VASP 6.5.0 release. Content on this page is subject to change and may be missing important information.
ELPH_SCATTERING_APPROX = [string]
Default: ELPH_SCATTERING_APPROX = SERTA MRTA_LAMBDA
Description: Select which type of approximation is used to compute the electron scattering lifetimes due to electron-phonon coupling
There are different approximations to compute the electronic lifetimes due to electron-phonon scattering. Each of these can lead to significantly different transport coefficients.
Options to select
CRTA
Constant relaxation time approximation
SERTA
Self-energy relaxation time approximation
ERTA_LAMDBA
Energy relaxation time approximation (mean-free path approximation)
ERTA_TAU
Energy relaxation time approximation (lifetime approximation)
MRTA_LAMDBA
Momentum relaxation time approximation (mean-free path approximation)
MRTA_TAU
Momentum relaxation time approximation (lifetime approximation)
Note that when the CRTA option is selected, the reading of the phelel_params.hdf5 file and calculation of electron self-energy is completely skipped.