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
Double grid in BSE
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Double grid in BSE
Chenhai Shen
Department of Physics, Henan Normal University
Xinxiang, 453000
Department of Physics, Henan Normal University
Xinxiang, 453000
- claudio
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Re: Double grid in BSE
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
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
[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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- Joined: Tue Mar 09, 2021 6:18 pm
Re: Double grid in BSE
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
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
PhD student
Humboldt-Universität zu Berlin
- claudio
- Posts: 448
- Joined: Tue Mar 31, 2009 11:33 pm
- Contact:
Re: Double grid in BSE
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com