How can I get the electron spectral function?

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bowen yang
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How can I get the electron spectral function?

Post by bowen yang » Wed Oct 01, 2025 9:56 am

Dear sir/madam,
When I perform a calculation of the finite temperature band structure using yambo_ph -g n -p fan -c ep -V gen, how can I use ypp post-processing tool to obtain the electron spectral function? Additionally, in the electron spectral function, can I simultaneously consider electron-electron correlation effects?

I want to create a plot like the one in the attachment.

Best regards,
Yang
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Yang bowen
College of Physics and Electronic Information, Yunnan Normal University, Kunming 650500, China

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claudio
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Location: Marseille
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Re: How can I get the electron spectral function?

Post by claudio » Sat Oct 04, 2025 7:59 pm

Dear Yang

when you calculate quasi-particle correction due to the electron-phonon coupling

https://wiki.yambo-code.eu/wiki/index.p ... _structure

in the file o.QP you will get a complex correction to the band structure.

The real-part will give you the shift of the bands while the imaginary part is the width.
Then you have to write a script that plot the bands and together with the width.
In YamboPy there is already a script to interpolate the quasi-particle band structure:

https://wiki.yambo-code.eu/wiki/index.p ... lar_k-grid

I think you could modify that script to include the interpolation of the width and then plot it in a similar way to what is done for exciton decomposition

https://wiki.yambo-code.eu/wiki/index.p ... ocal_space

but I don't know how to adapt this script to do your plot.

good luck
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

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