[DFTB-Plus-User] LUMO

[Bálint Aradi]

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/


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