Yambo Community Forum

Dear developers,
I found a warning message in the initial step as in the r_setup as:

[02.03] Reciprocal space
========================


[WARNING] Found non closed shells. Max cutoff will be reduced.
Full and reduced cutoff: 35821.3 140000. [mHa]
I used ONCV pseudopotentials. I think this would affect the final results and how to solve this problem?
Thanks!

Shudong

Dear Shudong,
I do not think that the final results will be affected.
You can anyway try to converge the exchange self energy and see if the Max Gvecs are enough to get converged results.
Similarly you can compare the E_xc value calculated by yambo and QE.

Best,
Daniele

Dear Daniele,
Thanks for your suggestions! I will do that soon.

Best

Shudong