BSE convergence

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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Laura Caputo
Posts: 88
Joined: Sun Apr 11, 2021 3:02 pm

Re: BSE convergence

Post by Laura Caputo » Thu Mar 17, 2022 12:05 pm

Dear Daniele,
yes that was my point, sorry for explaining it poorly.

Thanks again,
Laura Caputo
Ph.D. Student
Université Catholique de Louvain
https://uclouvain.be/fr/repertoires/laura.caputo

Laura Caputo
Posts: 88
Joined: Sun Apr 11, 2021 3:02 pm

Re: BSE convergence

Post by Laura Caputo » Sat Apr 23, 2022 11:07 am

Hello,

I have one last question regarding convergence of BSE calculations. I have done the convergence of the vacuum (using the truncated potential and RIM method) when calculating the GW gap, so I have calculated the convergence vacuum wst qp gap. Is it enough to take the same vacuum thickness for BSE calculations or another convergence study should be done?
Laura Caputo
Ph.D. Student
Université Catholique de Louvain
https://uclouvain.be/fr/repertoires/laura.caputo

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: BSE convergence

Post by Daniele Varsano » Tue Apr 26, 2022 8:42 am

Dear Laura,

I would yes, it is enough.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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