Perform the BSE calculation by using the GW band structure

Run-time issues concerning Yambo that are not covered in the above forums.

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shan dong
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Joined: Thu Oct 17, 2019 5:26 am

Perform the BSE calculation by using the GW band structure

Post by shan dong » Wed Aug 26, 2020 2:31 pm

Dear all,

I have performed the BSE calculation by using the GW band structure(set KfnQPdb).In this case, can I use different K points for BSE and GW calculation ?
Waiting for your replay. Thank you.
yifei liu
PhD student
Beijing Institute of Technology,China

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myrta gruning
Posts: 239
Joined: Tue Mar 17, 2009 11:38 am
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Re: Perform the BSE calculation by using the GW band structure

Post by myrta gruning » Wed Aug 26, 2020 9:00 pm

Yes. Check:
http://www.yambo-code.org/wiki/index.ph ... n_eh-space
KfnQPdb (Units: None, Format: String) Verbosity: -V qp

Meaning: Database for QP corrections.
Usage: From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available See also: KfnQP_E
Format: "<what> < <path>/ndb.QP" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor. For example, from a previous GW calculation use KfnQPdb= "E < ./SAVE/ndb.QP"
Missing values will be calculated by interpolation
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009

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