shift current

Questions and doubts about features of non linear optic in Yambo (yamb_nl)

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sunxl
Posts: 47
Joined: Wed Aug 14, 2024 8:05 am
Location: China

shift current

Post by sunxl » Wed Dec 10, 2025 9:59 am

Dear all,

I have viewed the code at https://github.com/yambo-code/yambo/blo ... _current.F. The calculation here is for the total real-time current. If we want to obtain the shift current, do we need to perform post-processing using yambopy, including Fourier transformation, frequency selection, etc.? Could you provide an example tutorial on how to calculate the exciton shift current?

Best,
sunxl
Dr. sunxl
Beijing Computing Science Research Center, China.

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claudio
Posts: 539
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
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Re: shift current

Post by claudio » Wed Dec 10, 2025 1:12 pm

Dear sunxl

for the Shit Current pluse use Lumen that is a fork of Yambo that you can find here:
https://www.lumen-code.org/

you can find tutorial on shift current here:
https://www.lumen-code.org/wiki/index.p ... ft_current

please use the last version of YamboPY for postprocessing.
let me know if it works
best
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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