[molpro-user] The Ignore_Error option on the orbital directive

Andy May MayAJ1 at cardiff.ac.uk
Fri Sep 23 21:53:21 BST 2011


Thanks. This has been clarified in the documentation and the change will 
appear in the next patch to 2010.1.

Best wishes,


On 16/08/11 14:26, Yuri Alexandre Aoto wrote:
> Dear molpro-users,
> I was with problems in a MCSCF calculation just after a HF calculations
> that doesn't converged, because the "... IGNORE_ERROR option on the
> ORBITAL directive" didn't work at all. I found some mails in this list
> with the same problem and I think I resolved it. The messages in the
> program error and in the manual are wrong. IGNORE_ERROR must be given as
> a option of START directive, not of ORBITAL directive. This worked for
> me at molpro 2009 and 2010. Someone can check this?
> I hope this can be useful,
> Yuri Aoto
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