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

Seth Olsen s.olsen1 at uq.edu.au
Thu Sep 21 04:10:51 BST 2006


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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