UT theoretical chemistry code forum

Has anybody used the instanton implementation in VTST? I'm trying to use it to compute the instanton across a barrier from a converged NEB calculation, but I'm unsure if it is working correctly. It appears that the images are moving very very slowly.

Thanks,

Erlend

I haven't used it in about six years now, but my guess is that the images are moving more slowly than usual since the forces are actually scaled with the number of images in the FPI chain. For that reason the forces are smaller than you might be used to.