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- Wed Nov 30, 2011 5:27 am
- Forum: VTSTTools
- Topic: VTST 2.x code updates
- Replies: 30
- Views: 395865
Re: VTST 2.0 code update
[quote="dano"]It should be able to handle this case: You should set: ICHAIN=0 IMAGES =? LNEBCELL=.TRUE. IOPT = 3 http://theory.cm.utexas.edu/vtsttools/neb/[/quote] Dear Sir, I want to do a SS-NEB calculation, and I set ICHAIN=0 IMAGES = 4 LNEBCELL = .TRUE. IOPT =3 ISIF =3 , should I set a ...