Re: Cartesian Basis Set


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Posted by Roland Lindh on November 23, 2009 at 14:43:18:

In Reply to: Cartesian Basis Set posted by Wenli Zou on November 22, 2009 at 21:35:28:

Hi,
before the end of basis set line stick in a command like

Cartesian all

If particular shells should be in Cartesian but not others for example

Cartesian d f

or if spherical f but Cartesian d just type

Cartesian d

-r





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if B is 1s22s22p1, what is Li?

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