Re: MS-CASPT2 numerical gradient


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Posted by Roland Lindh on February 27, 2006 at 08:46:15:

In Reply to: Re: MS-CASPT2 numerical gradient posted by Takao Kobayashi on February 20, 2006 at 08:13:52:

Hi,
correct! You do not need any special option, the code will figure out that you want a MS-CASPT2 gradient.

Take care!

-roland



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if B is 1s22s22p1, what is Li?

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