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- Mon Aug 20, 2018 9:19 am
- Forum: VTSTTools
- Topic: NEB calculation
- Replies: 1
- Views: 11006
NEB calculation
Hi, I am trying to calculate the transition path between the structure of A, B and C. Among three structure, C is the ground state structure, and A and B is the metastable structure. When I am trying to calculate the transition path between A and B, there are few images whose energy is close to C. I...