Problem runing Dimer

Vasp transition state theory tools

Moderator: moderators

Post Reply
graeme
Site Admin
Posts: 2291
Joined: Tue Apr 26, 2005 4:25 am
Contact:
Contact graeme

Re: Problem runing Dimer

Post by graeme »

Can you run the same input as a single point energy calculation? My guess is that this is not dimer related, but I also don't have any guesses about what might be wrong. Perhaps make sure that any WAVECAR or CHGCAR have been deleted.
Top
Post Reply

Return to “VTSTTools”