DFTB+ is a software package for carrying out fast quantum mechanical atomistic calculations based on the Density Functional Tight Binding method. The most recent features are described here. It can be either used as a standalone program or integrated into other software packages as a library.

The project is hosted on github.

DFTB+ is released under the GNU Lesser General Public License. Please consult the included LICENSE file for the detailed licensing conditions.

Information on the compiling, testing and installation of DFTB+ is given in the file INSTALL.rst in this directory.

If you wish to contribute to the project, please check the CONTRIBUTING.rst file for guide lines.