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by BuddyMacaulay
Mon Aug 23, 2021 7:13 pm
Forum: VTSTTools
Topic: Question around CI-NEBs and the saddle point
Replies: 1
Views: 3610

Question around CI-NEBs and the saddle point

Hey, I've been working on some NEBs for a group of fairly finnicky systems for a while now and have a few questions that I'm a little unsure about. Generally, for most of the NEB's the results look nice and converge well, with the climbing image finding a visually reasonable Transition state. 1. I'm...