Search found 2 matches
- Wed Jan 04, 2017 12:53 am
- Forum: VTSTTools
- Topic: clneb is not optimizng the force and structure
- Replies: 3
- Views: 12806
Re: clneb is not optimizng the force and structure
[quote="graeme"]If you post the calculation files, I can take a look.[/quote] INCAR: IMAGES = 6 SPRING = -5 IBRION = 3 POTIM = 0 ICHAIN = 0 IOPT = 1 LCLIMB = .TRUE. LTANGENTOLD = .FALSE. I find OUTCAR doesn't have any vtst information, so there is some thing wrong about the vtst compile . ...
- Tue Jan 03, 2017 11:30 am
- Forum: VTSTTools
- Topic: clneb is not optimizng the force and structure
- Replies: 3
- Views: 12806
clneb is not optimizng the force and structure
as mentioned above, I'm using the clneb code to finding the MEP, but find the force and structure is identical and d Force is zero.
So how to solve the problem?
So how to solve the problem?