[DFTB-Plus-User] Atom projected DOS

[Bálint Aradi]

Hi,

> Is there a way to obtain site (atom) projected density of states (possibly
> lm-resolved as well) in DFTB+? I know how to get the total density of states
> and I'd like to look at specific atoms.

 you could create a script which does it for you (based on the printed
out eigenvectors and state resolved mullikan populations.) Alternatively
a student of us wrote a small program, which eventually could do the
job. Please ask Adriel Dominguez García, emailaddress to be found on the
institutes web page:

http://www.bccms.uni-bremen.de/en/people/

  Best regards,

  Bálint


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


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