BSE output file format

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Bruno
Posts: 72
Joined: Tue Dec 08, 2020 11:16 am

BSE output file format

Post by Bruno » Tue Apr 05, 2022 9:00 am

Hello,

Following the columns outputed in the BSE run:

E/ev[1] EPS-Im[2] EPS-Re[3] EPSo-Im[4] EPSo-Re[5] EPS`-Im[6] EPS`-Re[7]

Although I know what the 5 first columns are, I'm not really sure what is EPS'. Can I have a simple description of it? Thank you very much in advance.

Regards,
MSc. Bruno Cucco
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: BSE output file format

Post by Daniele Varsano » Fri Apr 08, 2022 9:52 am

Dear Bruno,

these columns are reported when using iterative methods to the excitonic Hamiltonian.
It is the spectrum at the iterative step before convergence, and it is useful to check your convergence.

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/

Bruno
Posts: 72
Joined: Tue Dec 08, 2020 11:16 am

Re: BSE output file format

Post by Bruno » Thu Apr 21, 2022 2:16 pm

Perfect! Thank you very much.

Regards,
MSc. Bruno Cucco
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr

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