[DFTB-Plus-User] Band structure and DOS calculation of solid states

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Feb 14 16:59:37 CET 2011

Dear Ben,

> up to now I used DFTB only for small biological molecules. Now I want to
> study band structures of organic crystals. Can anyone recommend a nice
> tutorial (please note I am not a solid state physicist) on how to
> calculate band structures and DOS of solid states (organic crystals).

 Appropriate tutorial on the DFTB+ website:

> http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/howtos/band_struct/html/band_struct.html

 Good luck,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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