CFOUR_EIGENVECTOR

Specifies which eigenvector of the totally symmetric part of the block-factored Hessian is to be followed uphill in a transition state search. Eigenvectors are indexed by their eigenvalues – the lowest eigenvalue is 1, the next lowest is 2, etc. The default is 1, which should always be used if you are not looking for a specific transition state which you know corresponds to motion along a different mode. In the future, relatively sophisticated generation of a guessed eigenvector will be implemented, but this is the way things are for now. Of course, this keyword has no meaning if CFOUR_METHOD is not set to TS.

• Type: integer

• Default: 1