UT theoretical chemistry code forum

[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 ...