Re: localisation


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Posted by Dongwen Zhang on January 17, 2014 at 03:39:09:

In Reply to: localisation posted by amr on January 04, 2014 at 23:50:17:

>>>DO WHILE
&SEWARD &END
END OF INPUT

>>> IF (ITER = 1)
&SCF &END
END OF INPUT

&RASSCF &END
END OF INPUT
>>> ENDIF

&RASSCF &END
END OF INPUT

...


>>> EndDo


: 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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