Verify the expression: C.transpose * S * C = I


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11:29:33 AM PDT - Mon, Aug 12th 2013
Hi,

I find that "print overlap" prints overlap matrix elements, which does the same thing as "print ao overlap" does, and "print overlap" prints overlap elements with more precision, which is 8 digits.
Do I need even more digits to do that?

thanks,



Quote:Edoapra Aug 12th 10:58 am
Alexx
Have you tried to increase the number of digits in the Overlap Matrix printout
as suggested in

http://nwchemgit.github.io/Special_AWCforum/st/id910/more_significant_digits.html