[CP2K-user] Calculating normal modes for a saddle point structure from NEB

Nico Holmberg holmbe... at gmail.com
Wed Oct 31 07:23:17 UTC 2018


Hi,

The range keyword should indeed fix the issue. Try setting the lower value to something smaller e.g. -5000.

-Nico


More information about the CP2K-user mailing list