Search found 1 match

by asaduzza
Thu Feb 09, 2012 5:02 am
Forum: VTSTTools
Topic: NO Transition state!!!
Replies: 0
Views: 11168

NO Transition state!!!

Hi I am trying to find the transition state for water adsorption on a mineral surface using VASP. I have optimized the adsorption geometry and final geometry (surface and water molecule around 5 angstrom far apart). While I would like to try C-NEB, I have started with NEB. Using 5 images, I got the ...