[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
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