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

Benjamin Woiczikowski benjamin.woiczikowski at kit.edu
Fri Feb 11 12:56:47 CET 2011

Dear DFTB+ Users,

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).

Thanks in advance

Karlsruhe Institute of Technology (KIT)
Theoretical Chemical Biology

Dipl. Chem. Benjamin Woiczikowski
Kaiserstr. 12
Geb. 30.44
76131 Karlsruhe, Germany

Phone: +49 721 608-45704
Mobile: +49 176 631-681-58
Email: benjamin.woiczikowski at kit.edu
Web: http://www.ipc.uni-karlsruhe.de/tcb

KIT – University of the State of Baden-Wuerttemberg and
National Laboratory of the Helmholtz Association

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