[molpro-user] Problem calling state-specific orbitals from dump record specified for state-averaged multi

Dr. Seth Olsen s.olsen1 at uq.edu.au
Thu Sep 21 14:13:11 BST 2006


***My apologies to the list for not attaching the file in question last 
time***

Hi Molpro-Users,

I have run into problem calling for state-specific orbital sets dumped
by a state-averaged MCSCF calculation in Molpro2006.2.  The manual
suggests that one should be able to do this, and the output itself
indicates that the specified records are there, but the program dies
nonetheless, complaining that they do not exist.  I have included one of
the offending output files with this communique.  Is this functionality
no longer available?

Cheers,

seth

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