Reaction Coordinates mean what?

Vasp transition state theory tools

Moderator: moderators

Post Reply
Sam
Posts: 7
Joined: Thu Feb 02, 2023 3:58 pm

Reaction Coordinates mean what?

Post by Sam »

Hi everyone,
Could please define and explain the reaction coordinates which includes on NEB plot after running CINEB, and what do mean you the values it has mentioned (reaction coordinate axis). Could please provide the references regarding the reactions coordinates for CINEB calculations except this (https://theory.cm.utexas.edu/vtsttools/neb.html).
Thank you.
graeme
Site Admin
Posts: 2290
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: Reaction Coordinates mean what?

Post by graeme »

Post Reply