[ERROR] STOP signal received while in[06] Dipoles Error search for G=G1-G2 !!

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

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Dean
Posts: 98
Joined: Thu Oct 10, 2019 7:03 am

Re: [ERROR] STOP signal received while in[06] Dipoles Error search for G=G1-G2 !!

Post by Dean » Fri Apr 14, 2023 2:01 am

Dear Davide,
Thanks for your reply.
Please let me give a summary of my test.
"Large FFTGvecs will lead to the issue with the G-G for only some directions. Smaller FFTGvecs will fix it.
But smaller FFTGvecs will lead to unresonable polarization and eps. Setting UseDipoles will fit it and lead to resonable linear response."
In the next test, I will perform nonlinear response calculations.
Dr. Yimin Ding
Soochow University, China.

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