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- Wed Apr 26, 2017 6:25 am
- Forum: VTSTTools
- Topic: NEB force converge problem
- Replies: 1
- Views: 8823
NEB force converge problem
Hello, i am working on getting TS regarding CO oxidation reaction on metal surface using CI-NEB calculation. however, after so many steps, image 4, 5 forces doesn't seem to be converged. it fluctuate I am not sure whether it is structure problem or input problem. my first try was that I used 8 image...