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vasp warning about nonlocal pseudopotentials

Posted: Thu Dec 18, 2014 2:27 am
by yfguo
Hi all,
We are doing a structural relaxation about MoS2/h-BN system by using VASP 5.3 with potpaw_PBE.52, and the van der Waals interaction is considered. However, vasp gave a warning: "The real-space-projection scheme for the treatment of the nonlocal pseudopotentials has been switched on -- but on file POTCAR I have not found any entries signalling me that you have ever performed a real-space optimization of all nonlocal projectors! BE WARNED that a calculation using the real-space-projection scheme together with nonlocal projectors which were not real-space-optimized (accordingto the plane-wave-cutoff used in this calculation) might give more or less inaccurate results". No such warning occurs when a old version of potpaw_PBE is used. Will this affect the final calculation results?
Thank you very much.
Yufeng

Re: vasp warning about nonlocal pseudopotentials

Posted: Tue Sep 10, 2024 2:38 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP