Welcome to DFTB+!

The aim of the DFTB+ (DFTB Plus) project is to create a highly modularised, but nevertheless fast and efficient stand alone Density Functional based Tight Binding (DFTB) implementation, containing all usefull extensions, which had been developed for the DFTB framework so far. The project is supported by various groups, resulting in a code which is probably the most versatile DFTB-implementation, with some unique features not available in other implementations so far. [For more details, see DFTB+ code and its features.]

DFTB+ is free for academic, educational and non-profit research. If you are interested to try it, you can download it. In the case you are not a registered user yet, you will have to register first, though. If you are interested in commercial use, please contact us.

For help in using DFTB+, check out the appropriate subpage for its documentation, especially the manual of the current version and DFTB+ recipes.

DFTB+ Release 1.2 available 2011-11-09

The final version of Release 1.2 is available. Registered user may download it. See the release notes about the new features.

DFTB+ 1.2 Release candidate available 2011-09-16

The release candidate of DFTB+ 1.2 is available now. It should become the official 1.2 after a few weeks of user testing. For the new features, see the release notes.

DFTB+ at the 7th TS2C2 2010-11-29

The 7th Thai Summer School for Computational Chemistry in Nakhom Pathon, Thailand was devoted to the Density Functional based Tight Binding method. Also some of the DFTB+ users and developers were invited to teach ca. 100 students about the theory of DFTB and the usage of the DFTB+ code for actual problems in materials science.

[News archive]