exotic nonlinear response results in TD Hartree

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

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AmberLee123
Posts: 34
Joined: Sun Jul 26, 2020 7:00 am
Location: Xiamen, Fujian, China

exotic nonlinear response results in TD Hartree

Post by AmberLee123 » Thu Feb 17, 2022 10:50 am

Hi, I am trying to test the nonlinear response in a HPC (http://www.yambo-code.org/wiki/index.ph ... r_response). For the other three figures, the results seem to be quite acceptable to me, but the one with "Time-dependent Hartree (RPA with local field effects)" is much larger than reasonable.

The related files are attached as FixSymm_05_TD_Hatree_RLvcs_report.tar.gz.

The full folder(including NetCDF) is larger than 256 KiB(How to upload it in the forum...), and can be downloaded here.

link: https://pan.baidu.com/s/1Uxx2bK6qRoDhG9DOxqXYIg
pw: x84q

The results from independent particle(IP), quasiparticle(QP), TD_DFT and TD_DPFT are also attached.

Also, I am using yambo.5.0.2, and yambo -D >& /dev/null does not give me file "l_dbs". I just copy the output to yambo_D.

Many thanks for your dedication.
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Dr. Guoyu Yang
School of Science, Jimei University, Xiamen, Fujian, China

AmberLee123
Posts: 34
Joined: Sun Jul 26, 2020 7:00 am
Location: Xiamen, Fujian, China

Re: exotic nonlinear response results in TD Hartree

Post by AmberLee123 » Thu Feb 17, 2022 10:51 am

More attachments(3 max files for one draft)
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Dr. Guoyu Yang
School of Science, Jimei University, Xiamen, Fujian, China

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claudio
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Re: exotic nonlinear response results in TD Hartree

Post by claudio » Fri Feb 18, 2022 3:46 pm

Dear Dr. Guoyu Yang

I will run again the tutorial and let you know if there is some problem

best
Claudio Attaccalite
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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