SHG positive and negative oscillation issue

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

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sunxl
Posts: 66
Joined: Wed Aug 14, 2024 8:05 am
Location: China

SHG positive and negative oscillation issue

Post by sunxl » Tue Sep 01, 2026 3:50 am

Dear all,
I used the latest version of Yambo to calculate one of the non-zero components of SHG, namely xxx. I found that there was a positive-negative oscillation between adjacent frequency points. However, when I was calculating the other materials, I didn't encounter this problem. The version information of the Yambo software I am using is: Yambo 5.3.0 Revision: 23959 Commit: 16f94b12. The relevant output files have been placed in the attachment.
shg.png
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Dr. sunxl
Beijing Computing Science Research Center, China.

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