SHG calculation about symmetry group

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

SHG calculation about symmetry group

Post by AmberLee123 » Thu Sep 14, 2023 4:07 pm

Hi,
I meet a problem about symmetry group on SHG calculation.
1. When I generate the FixSymm folder using "RmTimeRev # Remove Time Reversal" as before, the report file stops by reporting
"

[05] NL Initialization
======================


[ERROR] STOP signal received while in[05] NL Initialization

[ERROR] Use ypp -y to repair the symmetry group and restart Yambo
"

2. but if I use "RmAllSymm # Remove all symmetries
RmTimeRev # Remove Time Reversal"
to generate the FixSymm folder, the calculation is totally OK, ie. I can get the SHG result.

As "RmAllSymm" really gives many more k-point than "RmTimeRev". Would you please help me to see what the problem is~

Many thanks~
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: SHG calculation about symmetry group

Post by AmberLee123 » Thu Sep 14, 2023 4:10 pm

other attachemnts
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: SHG calculation about symmetry group

Post by AmberLee123 » Thu Sep 14, 2023 4:11 pm

attachemts 02
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: SHG calculation about symmetry group

Post by AmberLee123 » Thu Sep 14, 2023 4:13 pm

attachemt 03
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: SHG calculation about symmetry group

Post by AmberLee123 » Thu Sep 14, 2023 4:13 pm

attachemnt 04 (end)
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: SHG calculation about symmetry group

Post by AmberLee123 » Mon Sep 18, 2023 4:51 am

viewtopic.php?t=2464
Davide Sangalli wrote: Wed Jul 19, 2023 10:28 am Please check that the direction of the electric field(s) selected in the input file for yambo_nl is consistent with the direction used in the input file for ypp.

This should be the reason for your warning message.

Best,
D.

the problem has been solved .
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