Yambo Community Forum

Dear Yambo Developers,

I am running GW calculations and obtaining the band structure. However, When I finished data initialization on a single layer monoclining material, I found that the.in file generated by Yambo had no content.Does Yambo support monoclinic structures? Does Yambo have restrictions on the structure of materials? Please clarify and tell me what to do next?
Here is the contents of my input file.


Best,
Ying

phD student
Henan Normal University
China

Dear Ying,

yes, there are no restrictions to the structures.
Can you elaborate more in details the steps you performed?

The yambo flow to initialize a calculation is as follow:
1) scf calculation (QE)
2) nscf calculation (QE)
3) p2y to convert QE electronic structure to Yambo databases
4) yambo setup

Which command line are you using to generate the input file, what do you want to calculate?
From your QE input I cannot see the k point sampling.
Eventually, can you post the output of p2y?
Did you perform an nscf calculation before the p2y?
Please post the needed files as an attachment and not as images (you need to rename them with an allowed format for the forum e.g .txt)

Best,
Daniele

Dear Daniele,

Thank you for your reply.

I think I know what the problem is and I have solved it.

Thanks again for your prompt reply!

Best,
Ying