NLUMO, EIGENVALUES

flo fsch... at pci.uzh.ch
Tue Sep 15 08:39:57 UTC 2009


Using

> &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.

Flo



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