vasp in ase / dimer method??
Posted: Fri Mar 09, 2012 11:45 pm
Dear VASP users,
I am trying to use VASP to get energy barrier for some chemical reaction.
Especially, I want to apply the dimer method on VASP. Can somebody explain how to do this calculation? Now I just got relaxed initial sate of slab which was calculated using ASE. I am a beginner, please somebody explain it step by step? Or, can give some examples for this calculation?
I am trying to use VASP to get energy barrier for some chemical reaction.
Especially, I want to apply the dimer method on VASP. Can somebody explain how to do this calculation? Now I just got relaxed initial sate of slab which was calculated using ASE. I am a beginner, please somebody explain it step by step? Or, can give some examples for this calculation?