[molpro-user] Multi with F12?

Terry Frankcombe tjf at rsc.anu.edu.au
Sat Oct 2 15:21:20 BST 2010

Hi folks

Kirk's workaround is working.  It seems the default RF optimiser used by
OptG is substantially more effective than the BFGS used by minimise for
geometry optimisations.  However, this is a one-off set of calcs so I'm
happy enough to throw a few CPU hours at it.

Thanks all.


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