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 ...
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- Mon Aug 16, 2021 10:12 am
- Forum: VTSTTools
- Topic: NEB calculation
- Replies: 10
- Views: 140436