Re: Output Mulliken Population Analysis


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Posted by Kris Gaethofs on November 24, 2004 at 09:38:18:

In Reply to: Output Mulliken Population Analysis posted by Kris Gaethofs on November 24, 2004 at 09:34:15:

: Hi,

: I'm using Molcas 6.0 patch level 701

: In previous versions I could always locate the full results for a Mulliken Population Analysis. With the updated version I only get an abbreviated result (only total Mulliken Charge per centre is displayed). Is there an option to get the full output again?

: Any help is appreciated!

: Kris Gaethofs

One thing I forgot to mention. I'm looking at the output of a RASSCF run. The same abbreviated result appears in the CASPT2 run.

Kris Gaethofs


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