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Hi dear All,

I have a questions and I ll be really glad if anyone can help me

1. Before starting a NEB calculation, how can I know that what is the distance between two images?


Thanks a lot
<span class='smallblacktext'>[ Edited ]</span>

That largely depends on how you created the images, if you made a linear interpolation or not, etc. The simplest way is to select something which will change the most (also know by chemists as reaction coordinate) and check how that changes from one image to another.