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Vasp transition state theory tools

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PorttmanJ
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About Image

Post 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!
graeme
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Re: About Image

Post 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.
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