Posted by Coen de Graaf on December 02, 2004 at 15:59:15:
In Reply to: Re: Output Mulliken Population Analysis posted by Kris Gaethofs on November 24, 2004 at 09:38:18:
This is caused by patch 539_charges_printout. After the application of this patch (?), Molcas does not give the full information of the Muliken population analysis when the system has more than 24 atoms. I don't know if this is really an improvement....
Anyway, you can overrule the patch by reverting it (I haven't tried that) or by editing the charge.f file in $MOLCAS/src/property_util. Line 63 defines MaxNuc=24. Setting this to 999 (or something like it), makes Molcas print the whole analysis again.
All the best,
Coen