Re: Dummy atom definition?


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Posted by Nicolas Ferré on January 18, 2007 at 10:08:00:

In Reply to: Dummy atom definition? posted by Andy Kerridge on January 17, 2007 at 18:41:06:

Hi, you can use the following:

basis set
X ..... / inline
0.0 0
0 0
X1 1.05996629 0.89325465 8.34142123
end of basis

Numbers are coordinates of the dummy atom X1.

Hope this helps.


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if B is 1s22s22p1, what is Li?

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