[molpro-user] changing localization defaults for local orbital dump in multi

Seth Olsen s.olsen1 at uq.edu.au
Mon Oct 2 02:23:16 BST 2006

Hi Molpro-Users,

The default localization procedure for local orbital dumping in MULTI 
seems to be the Boys algorithm, and it is not clear from the manual how 
this might be changed.  Is it possible to tell MULTI to dump Pipek-Mezey 
localized orbitals?  How is this done?



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