ELPH SCATTERING APPROX: Difference between revisions
(Created page with "{{elph_release}} {{DISPLAYTITLE:ELPH_SCATTERING_APPROX}} {{TAGDEF|ELPH_SCATTERING_APPROX|[string]| SERTA MRTA_LAMBDA CRTA - constant relaxation time approximation SERTA - self-energy relaxation time approximation") |
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{{DISPLAYTITLE:ELPH_SCATTERING_APPROX}} | {{DISPLAYTITLE:ELPH_SCATTERING_APPROX}} | ||
{{TAGDEF|ELPH_SCATTERING_APPROX|[string]| SERTA MRTA_LAMBDA | {{TAGDEF|ELPH_SCATTERING_APPROX|[string]| SERTA MRTA_LAMBDA}} | ||
Description: Select which type of approximation is used to compute the electron scattering lifetimes due to electron-phonon coupling | |||
CRTA - | ---- | ||
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 {{FILE|phelel_params.hdf5}} file and calculation of electron self-energy is completely skipped. | |||
Latest 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.