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exotic nonlinear response results in TD Hartree

Posted: Thu Feb 17, 2022 10:50 am
by AmberLee123
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.

Re: exotic nonlinear response results in TD Hartree

Posted: Thu Feb 17, 2022 10:51 am
by AmberLee123
More attachments(3 max files for one draft)

Re: exotic nonlinear response results in TD Hartree

Posted: Fri Feb 18, 2022 3:46 pm
by claudio
Dear Dr. Guoyu Yang

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

best
Claudio Attaccalite