order of images in NEB calculations
Posted: Thu Nov 13, 2014 9:29 am
Hi,
I have a very simple question. Does it make a difference, for a NEB calculation, if the energy of the initial state is lower than that of the final state ?
I would think it doesn't, but I want to make sure.
Cheers,
MCV
I have a very simple question. Does it make a difference, for a NEB calculation, if the energy of the initial state is lower than that of the final state ?
I would think it doesn't, but I want to make sure.
Cheers,
MCV