All MOs in a certain energy range are printed; default are these set to
values from -7.0 to 0.7 Hartree I seem to remember; these values can be
altered by specifying

EPRINT
   ORBPOPER -1000.0 +1000.0
END

This will print ALL MOs within this energy range.

NOTE: especially for large molecules, and virtual orbitals, this will
induce an enormous increase of the output, so be cautious and careful
with this option.

On Friday, Oct 17, 2003, at 20:43 Europe/Amsterdam, Herr Sonnenberg
wrote:

> Dear Group,
>
> When ADF prints out a list of all MOs, ordered by energy, with the most
> significant SFO gross populations listed it does not print all the MOs.
> Is it possible to get this analysis printed for all the MOs? If so,
> what
> do I need to specify in my input file to achieve this?
>
> Thanks for your assistance,
>
> Jason Sonnenberg
> Bursten Group
>
>
–––––––––––––––––––––––––––––––––––––
dr. Marcel Swart

Organische en Anorganische Chemie
Faculteit der Exacte Wetenschappen
Vrije Universiteit Amsterdam

De Boelelaan 1083
1081 HV Amsterdam
The Netherlands

F +31-(0)20-4447488
E swart_at_chem.vu.nl
W http://go.to/m.swart
–––––––––––––––––––––––––––––––––––––
Received on 2003-10-18 09:49:01