[molpro-user] IGNORE_ERROR

[Kirk Peterson]

Luis,

where did the error actually occur, immediately after multi or in a subsequent ci?  If the latter, then the ignore_error belongs
in the orbital directive of the ci calculation and not multi.

-Kirk

On Aug 19, 2010, at 7:04 AM, Luis Poveda wrote:

> 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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