Double grid in BSE

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

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shenchenhai
Posts: 12
Joined: Thu Mar 29, 2018 11:41 pm

Double grid in BSE

Post by shenchenhai » Sun Mar 10, 2019 5:34 am

Dear developers,
Double grid method is a very good technology for the calculation of optical properties in Yambo. I've interpolated the GW eigen energy through wannier90, but I don't know how to use the QP energy obtained by interpolation to do the double grid calculation in the next BSE calculation. Could you give me some hints? Thank you very much.

Yours sincerely,
Shen Chenhai
Chenhai Shen
Department of Physics, Henan Normal University
Xinxiang, 453000

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claudio
Posts: 448
Joined: Tue Mar 31, 2009 11:33 pm
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Re: Double grid in BSE

Post by claudio » Sun Mar 10, 2019 2:51 pm

Dear Shen

there is an option in ypp -b to read the BXSF file generated by Wannier90,
check if it works, otherwise we can fix it

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

jannisk93
Posts: 5
Joined: Tue Mar 09, 2021 6:18 pm

Re: Double grid in BSE

Post by jannisk93 » Tue Mar 29, 2022 1:30 pm

Dear developers,

is there a way to use this feature in v5.x, i.e. solve BSE with double grid using Wannier90-interpolated eigenvalues? "ypp -b" seems to be doing something different now; also I cannot find "bxsf" in the source code.

Best regards
Jannis Krumland
PhD student
Humboldt-Universität zu Berlin

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claudio
Posts: 448
Joined: Tue Mar 31, 2009 11:33 pm
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Re: Double grid in BSE

Post by claudio » Fri Apr 01, 2022 10:55 am

See reply here

viewtopic.php?p=11589#p11589

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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