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 implemented in several separate programs before now, and adding new useful features. The project is already in a very advanced state, learn more about the 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 the available howtos.

DFTB+ tutorial at the ACCMS-5 conference 2009-08-27

DFTB+ is going to be presented at the ACCMS-5 conference at the 7th of Septemeber in Hanoi. There will be a theoretical introduction to the method, an overview over possible applications and a hands on session, where participants can test the code. More details can be found on the webpage of the conference.

DFTB+ Snapshot 081217 available 2008-12-17

Due to the requests from interested users, we are making the current main developer branch of DFTB+ publicly available (DFTB+ Snapshot 081217). The code is of release quality, but missing some features we still would like to add before releasing DFTB+ 1.1. The code is available for registered users via the download page.

Orbital visualisation with Waveplot and VMD 2007-10-02

A step by step mini-howto 'First steps with Waveplot' had been uploaded, which gives a compact introduction into the use of Waveplot and the visualisation of the created data with VMD.

[News archive]