Pump and probe of 2D hBN

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

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Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Pump and probe of 2D hBN

Post by Tianxiang Qian » Tue Jul 11, 2023 2:00 pm

Dear all,
I am trying to repeat the pump and probe of 2D hBN in the paper (Exciton-exciton transitions involving strongly bound excitons: An ab initio approach). But in my result the first peak at omega → 0 is too large. I have attached my result and input/report files.
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Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Tue Jul 11, 2023 2:07 pm

Ok, I think the signature appears now.
Tianxiang Qian
Soochow University, China

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claudio
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Re: Pump and probe of 2D hBN

Post by claudio » Wed Jul 12, 2023 1:41 pm

Dear Tianxiang Qian

I cannot run again the postprocessing on my data
because there are been some changes in the yambo database.

However I put in attachment all my input files, and the only relevant difference I see
it is that I used a larger gaussian broadening 0.04
and small differences in the pump/pump_&_probe runs.

Let me know if this solve your problem

best
Claudio
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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

Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Wed Jul 12, 2023 7:33 pm

Dear Claudio,
Thanks for your quick reply. I will check the input files. One more thing, I have simulated the pump of black phosphorene. But there is jumping in the polarization like figure1. When I uncomment the 'FrPolPerdic', the polarization becomes smoother like figure2. Could you tell me how 'FrPolPerdic' works?
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Tianxiang Qian
Soochow University, China

Tianxiang Qian
Posts: 4
Joined: Tue Jul 11, 2023 12:41 pm

Re: Pump and probe of 2D hBN

Post by Tianxiang Qian » Thu Jul 13, 2023 11:01 pm

Dear Claudio,
I have compared the input file and find that the most important difference is intensity of pump and probe pulse. So I increase the intensity to the values you use. The result is better (see the figure).
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Tianxiang Qian
Soochow University, China

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