How to set the Number of freqs in real time NLO calculation

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

Moderators: Davide Sangalli, claudio, myrta gruning

Post Reply
AmberLee123
Posts: 35
Joined: Sun Jul 26, 2020 7:00 am
Location: Xiamen, Fujian, China

How to set the Number of freqs in real time NLO calculation

Post by AmberLee123 » Mon Jan 31, 2022 3:31 am

When repeating the calculation in tutorial (http://www.yambo-code.org/wiki/index.ph ... r_response),

there is a line like

# [NL] Number of freqs :5

in o-file (like o-QP_ypp.YPP-X_probe_order_2)

I tried to search the variables in http://www.yambo-code.org/wiki/index.ph ... es#KfnQP_E ,
but still don't know how to set he number.

More data points are needed to make a nicer NLO chi(2) curve. So how to increase the number of frequencies?

Thank you!
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: How to set the Number of freqs in real time NLO calculation

Post by AmberLee123 » Tue Feb 01, 2022 3:53 am

I found it, it's NLEnSteps .
Thank you.
--------------------------------------
Well, I set it and run the program yambo_nl again, but ypp_nl gives the same result...
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

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

Re: How to set the Number of freqs in real time NLO calculation

Post by claudio » Fri Feb 04, 2022 5:00 pm

Dear AmberLee123

I did understand your reply, did you solve problem or not?
or do you have another problem with ypp_nl now?

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

AmberLee123
Posts: 35
Joined: Sun Jul 26, 2020 7:00 am
Location: Xiamen, Fujian, China

Re: How to set the Number of freqs in real time NLO calculation

Post by AmberLee123 » Sat Feb 05, 2022 4:44 am

Unfortunately, I have not solved the problem yet. When changing NLEnSteps, running yambo_nl, running ypp_nl; the results are the same.
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: How to set the Number of freqs in real time NLO calculation

Post by AmberLee123 » Sun Feb 13, 2022 2:02 am

Problem solved. Just as claudio said before( viewtopic.php?f=9&t=1802&sid=4fd95b1897 ... 4d64c8cc39),

"
run them without the -J and -C options, directly in the SAVE folder
"

Then everything works well.
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

Post Reply