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- Tue Mar 04, 2008 4:24 pm
- Forum: VTSTTools
- Topic: Dimer method - convergence criteria
- Replies: 1
- Views: 7154
Dimer method - convergence criteria
I am currently investigating Cu on TiN and am interested in determining the transition states associated with diffusion on the surface. I have identified the relevant stable adsorption sites, and after unsuccessful attempts of using the NEB method (it is likely that the transition states are not ...