My Community

Hello,

I want to perform a calcultion of a molecule on a slab and including TS-vdW correction. However, I want to optimized the interaction between the molecule and the first layer of the slab but when I relax this complex I want to ignore vdW interaction between the atoms in the first layer of the slab and include them in the molecule and beween the first layer of the slab and the molecule.

Is there a method to do this?

THANKS!!!
Ido

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