[molpro-user] HF convergence

Diana Rodríguez diradiana at gmail.com
Fri May 24 15:28:20 BST 2013


I am a new user of MOLPRO with the following problem. I´m doing IRC path
calculations (CCSD(T) level in system HSO2) and some times no-convergence
in RHF calculations stops the calculus. I have tried all the suggestions in
the MOLPRO manual, but I can not avoid this error. Any suggestions, please?
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