My IRC calculation ends with a message: ... Delta-x Convergence NOT Met Maximum number of corrector steps exceded ... How should I change input file?

I try to do IRC calculations in Gaussian09. The calculations end with error termination and in the end of .log file, there is a message: WARNING: Bulirsch-Stoer Method is not Converging CORRECTOR...

26 January 2017 9,729 13 View