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Welcome to DFTB+!

DFTB+ is a fast and efficient versatile quantum mechanical simulation package. It is based on the Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which had been developed for the DFTB framework so far.  Using DFTB+ you can carry out quantum mechanical simulations like with ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of magnitude in speed. [see About DFTB+ for further details]

DFTB+ is used worldwide,  with more than 1000 registered research groups. It is free for academic, educational and non-profit research. You can download it after registering and signing a license agreement. Commercial use is possible upon individual request.

Tutorial on NEGF, DFTB+ Live 2014-11-20 

A step-by-step tutorial on Electronic Structure and Electron Transport in 2D Carbon Materials is available now. You can try the tutorial using a live Linux ISO image with preinstalled DFTB+. Check out the Tutorial section for more details.

DFTB+ community -- 1000 members and growing 2013-05-22 

Our fast and user friendly DFTB+ code has just surpassed one thousand registered academic groups and users! We would like to thank all our users, especially for all the feedback we receive, this helps us immensely to deliver a code suited to the needs of the scientific community.

DFTB+NEGF r4305 available 2013-01-30 

Bugfix version of the DFTB+NEGF is available.