[molpro-user] increasing maxit

Scott Yockel yockel at unt.edu
Wed Aug 4 16:58:48 BST 2004

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

More information about the Molpro-user mailing list