output file of BSE

Deals with issues related to computation of optical spectra, in RPA (-o c) or by solving the Bethe-Salpeter equation (-o b). Includes local field effects, excitons, etc.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano, andrea.ferretti, myrta gruning, Conor Hogan

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Daniele Varsano
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Re: output file of BSE

Post by Daniele Varsano » Thu Aug 22, 2019 10:02 am

Dear Haseeb Ahmad,
the output file is there and it is named o.eps_q1_haydock_bse which is the default name unless you rename your run using the -J option.
Actually, you cannot plot the spectra as it does not contains any data. This happens because in your input you have

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BEnSteps=0                     # [BSS] Energy steps
This variable indicates how many energy steps you want in the energy range given by BEnRange.
If you will assign a number different from 0 (e.g. 100) to BEnSteps you will have your spectrum.

In order to get familiar with Yambo I strongly suggest you follow the yambo tutorials you can find here (both GW and BSE runs):
http://www.yambo-code.org/wiki/index.ph ... =Tutorials

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/

haseebphysics1
Posts: 148
Joined: Sat Aug 17, 2019 2:48 pm

Re: output file of BSE

Post by haseebphysics1 » Thu Aug 22, 2019 8:02 pm

Thank you very much!
Haseeb Ahmad
MS - Physics,
LUMS - Pakistan

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