Dear Molpro-users, This is probably an easy fix. I am running a ccsd(t) optimization and it keeps hitting the max iterations of ccsd during like the 3rd optimization step. I have tried using maxit=n and maxiter=n before and after hf, ccsd(t), and optg but it doesn't seem to matter, the maxit is uneffected. I am able to increase the maxit for the hf and ccsd(t) single points before the optmization starts but after it starts I am unable to change the maxit. Please can someone provide me with and example that they know works, it is very likely that my syntax or placement of maxit=n is wrong.
Thanks in advance. Scott Yockel University of North Texas Department of Chemistry Masters Hall Room 12
