Search found 1 match

by gutk
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.