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- Tue Jan 16, 2007 3:19 am
- Forum: VTSTTools
- Topic: NEB and IBRION
- Replies: 1
- Views: 8789
NEB and IBRION
I found that NEB method maybe not convergence when using the CG method(IBRION=2) to relax the atom. In the vasp manual, they also tell us that the CG algorithm usually fails to converge. I want to know this is true or not.