[molpro-user] IGNORE_ERROR

Luis Poveda poveda.calvino at gmail.com
Thu Aug 19 15:04:45 BST 2010


Dear all,
the error message read:
"?Error: MCSCF not converged. This error exit can be avoided using the
IGNORE_ERROR option on the ORBITAL directive"
and I try this:
...
{multi}
{orbital,ignore_error}
...
and this
...
{multi;orbital,ignore_error}
...
and even this
...
{multi;orbital,ignore_error=1}
...
but the error persist
does any one known another guess?
Thank a lot

Luis A. Poveda
Theoretical & Computational Chemistry group
Coimbra University
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