See the Utilities manual how to specify the range of MO's that you want
to see plotted.
Something like
ORBITALS
HOMOn LUMOm
END
will do the trick (where n and m are integers, see the manual).
On May 29, 2005, at 9:29 PM, DCC9000 wrote:
> Hi.
> I am using the program Densf to get all the molecular orbitals of a
> molecule. I tried all the options but finally I was reduced to
> only use the option "grid save coarse" to get only four MOs.
> My calculation is a RHF one, singlet, zero net charge (DZP+BP).
> Has anyone experience with Desnf that can help me?.
> Thank you very much.
> J.S. Gomez-Jeria
––––––––––––––––––––––––––––––––––––––––––––
dr. Marcel Swart
Theoretische Chemie
Vrije Universiteit Amsterdam
Faculteit der Exacte Wetenschappen
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands
Tel +31-(0)20-5987619
Fax +31-(0)20-5987629
E-mail m.swart_at_few.vu.nl
Web http://www.few.vu.nl/~swart
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Received on 2005-05-30 10:20:39
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