ELPH SCATTERING APPROX: Difference between revisions

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{{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 due to electron-phonon coupling
Description: Select which type of approximation is used to compute the electron scattering lifetimes due to electron-phonon coupling


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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.


The possible options are:
== Options to select ==
 
=== CRTA ===
=== CRTA ===
Constant relaxation time approximation
Constant relaxation time approximation

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.
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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.