leit... at matcalc.de
Tue Sep 15 09:04:05 UTC 2009
Many thanks for the quick answer.
On 15 Sep., 10:39, flo <fsch... at pci.uzh.ch> wrote:
> > &PRINT
> > &MO_CUBES
> > NHOMO 2
> > NLUMO 2
> > WRITE_CUBES F
> > &END MO_CUBES
> > &END PRINT
> The eigenvalues of the Homo's and the 2 Lumo's should be printed just
> before the TIMINGS of the run.
> Just search for "Lowest Eigenvalues of the unoccupied subspace" in
> the output file and you will be at the right place.
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