static screening calculation using the truncated Coulomb potential

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siyuchen
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static screening calculation using the truncated Coulomb potential

Post by siyuchen » Fri Feb 25, 2022 4:27 pm

I am running the example of 2D hBN at http://www.yambo-code.org/wiki/index.ph ... al_systems.

I was wondering if we need to do a static screening calculation using the truncated Coulomb potential before we run the BSE calculation. It seems that the tutotial just jumped over the static screening calculation (?)
Siyu Chen
University of Cambridge

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Daniele Varsano
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Re: static screening calculation using the truncated Coulomb potential

Post by Daniele Varsano » Fri Feb 25, 2022 5:39 pm

Dear Siyuchen,

please sign your post with your name and affiliation, this is a rule of the forum. You can do it once for all by filling it in your signature profile.
Yes, you need it, but note that if you have done a previous GW calculation the static screening can be read from the plasmon-pole database (this is what is done in the tutorial), so that you do not need to recompute it. You can notice that the input file is built using the (-p p) option. In this way, the code will read the ndb.pp database and will read the static part.

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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