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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Joined: Thu Dec 12, 2024 4:36 am

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
Yang bowen
College of Physics and Electronic Information, Yunnan Normal University, Kunming 650500, China

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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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