[DFTB-Plus-User] LUMO

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Jan 7 10:03:37 CET 2013


Dear Chao,

> There is HOMO of a water molecule (wavefunction square and real part
of the wavefunction) in the first steps with Waveplot (Figure 3 and 4).
> 
> I do not know how to plot the LUMO of a water molecule (wavefunction square and real part of the wavefunction)?
> 

You set PlottedLevels = { 5 }

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 261 bytes
Desc: OpenPGP digital signature
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20130107/5e22e822/attachment.pgp>


More information about the DFTB-Plus-User mailing list