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~
SHG calculation about symmetry group
Moderators: Davide Sangalli, claudio, myrta gruning
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SHG calculation about symmetry group
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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
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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- Posts: 35
- Joined: Sun Jul 26, 2020 7:00 am
- Location: Xiamen, Fujian, China
Re: SHG calculation about symmetry group
other attachemnts
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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
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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- Posts: 35
- Joined: Sun Jul 26, 2020 7:00 am
- Location: Xiamen, Fujian, China
Re: SHG calculation about symmetry group
attachemts 02
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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
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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- Posts: 35
- Joined: Sun Jul 26, 2020 7:00 am
- Location: Xiamen, Fujian, China
Re: SHG calculation about symmetry group
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
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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- Posts: 35
- Joined: Sun Jul 26, 2020 7:00 am
- Location: Xiamen, Fujian, China
Re: SHG calculation about symmetry group
attachemnt 04 (end)
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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
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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- Posts: 35
- Joined: Sun Jul 26, 2020 7:00 am
- Location: Xiamen, Fujian, China
Re: SHG calculation about symmetry group
viewtopic.php?t=2464
the problem has been solved .
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
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