Hi,
I was wondering, during a typical NEB, how we can see the forces acting on each image after any ionic steps."nebef.pl" shows the forces for the last ionic step, but I want to see the forces for previous steps.
I d really appreciate if any one can help me.
Cheers
forces on images (NEB)
Moderator: moderators
Re: forces on images (NEB)
We do not have a script for doing this. You can use the vef.pl to see the energy and force for any single image, but no automatic way to see the force and energy information for all images at each iteration.
Re: forces on images (NEB)
Thanks
That works for me
That works for me