Search found 2 matches

by yuml
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 . ...
by yuml
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?