Shift current

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

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javad
Posts: 42
Joined: Fri Feb 28, 2014 10:23 pm

Shift current

Post by javad » Thu Mar 07, 2024 9:55 am

Dear Yambo developers

I would like to know if it is possible to calculate shift current with yambo_nl?

with best regards
Javad Exirifard
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

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claudio
Posts: 463
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
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Re: Shift current

Post by claudio » Thu Mar 07, 2024 11:01 am

Dear Javad

in principle it is possible to calculate shift current with Yambo_nl, as fas as I know some people are doing it in Belfast.
You have to turn on the flag EvalCurrent and then you have to post-process the current in the same way it is done for the polarization.
I advice you to modify yambopy to do it

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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