Hi friends!
Is it OK to have more than one saddle points in a single CI NEB run?
I have 5 images. Two of which are appearing as saddle points (TS).
Thanks
Multiple saddle poin in CI NEB
Moderator: moderators
Re: Multiple saddle poin in CI NEB
Yes that's fine. Just remember that only the higher energy saddle will be found with the climbing image. You probably want to find the intermediate minimum with a separate calculation and run another band over the lower energy portion of the path to resolve that saddle as well.