Using the yambo_ph executable and taking electron-electron correlation into account, the task fails.

Deals with issues related to electron-phonon coupling calculations

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bowen yang
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Using the yambo_ph executable and taking electron-electron correlation into account, the task fails.

Post by bowen yang » Fri Feb 28, 2025 4:02 pm

Dear all,
Follow the electron phonon coupling module, using the command line yambo_ph -g n -p fan -c ep -V gen, I can completely reproduce the results in the web page. But only the correction of electron-phonon coupling to E0 is considered, and electron correlation(i.e. e-e correlation) is not taken into account. When I attempted to use yambo_ph -g n -p fan -c ee -V gen (the second input generation, activating parameters related to electron correlation), the job did not run. Why is this the case? Could it be that yambo_ph cannot simultaneously account for both correlation effects?
or it be due to insufficient memory?
Best regards
Yang

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claudio
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Re: Using the yambo_ph executable and taking electron-electron correlation into account, the task fails.

Post by claudio » Mon Mar 10, 2025 11:41 am

You can find the solution to this problem here:

viewtopic.php?t=2848

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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