About Image
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About Image
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
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.