Dear Daniele,
yes that was my point, sorry for explaining it poorly.
Thanks again,
BSE convergence
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Re: BSE convergence
Laura Caputo
Ph.D. Student
Université Catholique de Louvain
https://uclouvain.be/fr/repertoires/laura.caputo
Ph.D. Student
Université Catholique de Louvain
https://uclouvain.be/fr/repertoires/laura.caputo
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- Posts: 88
- Joined: Sun Apr 11, 2021 3:02 pm
Re: BSE convergence
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?
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
Ph.D. Student
Université Catholique de Louvain
https://uclouvain.be/fr/repertoires/laura.caputo
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OnlineDaniele Varsano
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Re: BSE convergence
Dear Laura,
I would yes, it is enough.
Best,
Daniele
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/
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/