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News

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.

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.

New release DFTB+ 1.0.1 available 2007-09-21 

A new release of the DFTB+ code is available. In version 1.0.1, few minor bugs had been fixed. See the release notes for a detailed list of changes. The source code and binaries can be downloaded from the download area.

Tools and howto for calculating band structures added 2007-09-21 

A howto containing a detailed description about band structure and density of states calculation with DFTB+ had been added. The download file of the howto contains useful scripts helper scripts.

Mailing list DFTB+ User created 2007-09-21 

A new mailing list DFTB+ User had been created. The aim of this list is to provide the users of DFTB+ a plattform for exchanging information about their experience with the code. Also questions/problems with handling DFTB+ should be posted to this list from now on. You are welcome to subscribe to the list.