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: 222
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
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, Bâtiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info

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