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by Reetu
Mon Aug 16, 2021 10:12 am
Forum: VTSTTools
Topic: NEB calculation
Replies: 10
Views: 10221

NEB calculation

Hi, I would like to run transition state calculations by using NEB method in vasp 5.4.4. I am totally new to this. I would be highly grateful if somebody can guide me in this. I have optimized the initial and final relaxed structure. But, I am confused about the next step as I have no idea how to co...