Search found 1 match

by dacaoyang2008
Fri Jan 06, 2017 1:45 pm
Forum: VTSTTools
Topic: Restarting a dimer
Replies: 1
Views: 9674

Restarting a dimer

Hi All, Now, I'm using dimer to search TS and I have two problems: 1.Can this method find the right saddle point for a reaction? For almost all of the references I read, the author used CI-NEB or NEB/dimer. But when I use neb, it's time-consuming, however, the dimer locate the TS quickly. 2.The firs...