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About Image

Posted: Sat Feb 23, 2013 7:29 pm
by PorttmanJ
Hello. The more images I use, the more time it will cost. Right? Generally speaking, how many images may I use in order to get the saddle point using cNEB. Many thanks!

Re: About Image

Posted: Tue Feb 26, 2013 2:46 pm
by graeme
You need to have a sufficient number of images to resolve the reaction coordinate near the saddle. Fortunately, the criterion is simple: if the climbing image converges (and you only care about the saddle) than you have enough images.