[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
Ben 

 
-- 
Karlsruhe Institute of Technology (KIT)
Theoretical Chemical Biology

Dipl. Chem. Benjamin Woiczikowski
PhD-Student
 
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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