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- Wed Jul 22, 2009 9:57 am
- Forum: VTSTTools
- Topic: Problems on the images using NEB
- Replies: 3
- Views: 14814
Re: Problems on the images using NEB
Hi, I am not sure if my answer will help you (since I am using VTST for some weeks only). Obviously you are using the VASP internal CQ algorithm to optimize the ionic structure, which is energy based (IBRION = 2, POTIM = 0.3). Since the NEB method needs a force based optimizer you shouldn't use it ...