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- Sat Jul 15, 2023 4:15 am
- Forum: VTSTTools
- Topic: NEB CONVERGENCE Not achieved (NSW=1000) and Internal Error with VASP 6.4
- Replies: 1
- Views: 13484
NEB CONVERGENCE Not achieved (NSW=1000) and Internal Error with VASP 6.4
Dear vtst developers, I am working on an 2D system on which a Li2S absorbed on surface. I am calculating the Li2S decomposition Barrier but some problems appeared. First Issue:- My calculation is not able to converged until 1000 iteration (NSW=1000). I used ISIF=2 with optimization of intial and fin...