localisation


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Posted by amr on January 04, 2014 at 23:50:17:

Is it possible to perform localisation on a previously calculated UnaOrb file to avoid doing &SCF again??
I've tried to add the fileorb keyword followed by the orbital file name under the &localisation section but it returned an error.
Any insight would be appreciated
Thanks


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if B is 1s22s22p1, what is Li?

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