[DFTB-Plus-User] band structure in eV

[Bálint Aradi]

On 07/15/2012 11:56 AM, R.Perez Garcia wrote:
> Dear all,
> I think I get the band structure finally, which is good... Thank you to
> everybody that helped me.
> One more question:
> If I want the energy in eV, is there a way to transform the whole
> band_tot.dat into that units? Do I really need to make a small program
> or try to modify the python code of dp_bands?

 They are already in eV! The script reads the band.out file, in which
the energies are given in eV as well.

 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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