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: 35
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.
You do not have the required permissions to view the files attached to this post.
Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn

AmberLee123
Posts: 35
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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Sincerely,
Dr. Guoyu Yang
Lecturer
Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute
185 Yinjiang Rd.,
Jimei District, Xiamen,361021
Fujian, China
E-mail: 201961000100@jmu.edu.cn

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claudio
Posts: 448
Joined: Tue Mar 31, 2009 11:33 pm
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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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