Yambo Community Forum

Dear Experts,

As I'm trying to calculate Second Harmonic Generation in AlAs or hBN, I'm encountering a problem almost in the last step. While running "yambo_nl" command (after creating the input file "yambo.in" using the command "yambo_nl -u n"), I get this error of segmentation fault (core dumped). Picture attached herewith.
I have attached report and input file as well for your kind reference.

Looking forward for a solution.
Thanks

Thank you

Could you try to run with fewer bands, e.g. 1 to 6 rather than 1 to 60, and see whether you get the same error?
If it runs with fewer bands, it may be an issue with memory.
Also, why do you want to run with 60 bands? Start with a few bands around the Fermi energy and increase it slowly, checking the convergence.
Similarly, you need to converge the spectrum with respect to the k points mesh.

Dear Dr. myrta Gruning,
Thank you for your reply.

As suggested, I performed the calculations with fewer bands, this time in AlAs. I followed the procedure provided here (https://www.yambo-code.eu/wiki/index.ph ... with_Yambo). But, the problem persists after running "yambo_nl".

It says "Index g0 smallest negative vectors in each direction: 3 4 5Segmentaault (core dumped)"

Attached herewith the input and report file.

Thanks
amal

Apologies for the late answer.
If the problem is still present, can you try to see whether it persists with the latest yambo version?