What does the BSEdips option mean in the BSE input file

Deals with issues related to computation of optical spectra, solving the Bethe-Salpeter equation.

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lyzhao
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Joined: Tue May 31, 2016 8:02 am

What does the BSEdips option mean in the BSE input file

Post by lyzhao » Mon Jun 03, 2024 7:41 am

Dear all,
Could you tell me what the following option means in the BSE input file?
If I open it, what will the yambo output? I have tried, but do not find the difference.
BSEdips= "none" # [BSS] Can be "trace/none" or "xy/xz/yz" to define off-diagonal rotation plane
Best regards.
Youzhao Lan
College of Chemistry and Materials Science,
Zhejiang Normal University,
Jinhua, Zhejiang, China.
HomePage: http://blog.sciencenet.cn/u/lyzhao
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Daniele Varsano
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Re: What does the BSEdips option mean in the BSE input file

Post by Daniele Varsano » Mon Jun 03, 2024 9:32 am

Dear Youzhao,

this variable is meant to perform the "trace" of the spectrum over the three cartesian direction (IP only), or to define off-diagonal rotation plane for the KERR spectra.

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/
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