Re: Warning!: Second moment of charge for the PM-CAS states


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Posted by Marcin Andrzejak on October 14, 2010 at 10:07:30:

In Reply to: Re: Warning!: Second moment of charge for the PM-CAS states posted by Valera Veryazov on October 12, 2010 at 17:52:17:

I have just submited the bug report with the working input file attached.

And yes, the parser has the correcting mechanism, but it is coded only for the dipole moments ('MLTPL 1').

Yours
Marcin

: Hi Marcin,
: could you please send me an input, or even better - submit a bug report.
: Your explanation about two spaces looks a bit suspicions since input parser
: removed this spaces anyway...




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if B is 1s22s22p1, what is Li?

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