My Community

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

Hi,

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