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by hydft
Fri Jul 29, 2022 11:33 pm
Forum: VTSTTools
Topic: CI-NEB vacancy migration energy
Replies: 0
Views: 42385

CI-NEB vacancy migration energy

Hello, everyone! I'm a new person in computational materials science. I want to calculate the vacancy migration energy. But actually I don't find the some introductions about that. I just make 2 structures with 2 vacancies on different positions as final state and initial state, and then do the stru...