Dear Developers and Users of Turbomole,
I am a bit confused with specifying with "itrvec" the initial
vector for a transition state search. What does actually the number
that follows itrvec mean??? If I have say one mode with an
imaginary frequency should itrvec then be 1 ? On the other
hand it is said in the manual that statpt put the Hessian eigenvectors
in ascending order. What will it cause?
Overall, I will very appreciate if comeone could explain what number
for itrvce I should set up when I have one imaginary frequency.
Many thanks!
Best regards,
Evgeniy