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DFTB+ is fast and efficient stand-alone implementation of the Density Functional based Tight Binding (DFTB) method. It was developed in Paderborn in the group of Professor Frauenheim and is the successor of the old DFTB and Dylax codes.

For more information, see the official DFTB+ site.

Users of the program are advised to sign up on the DFTB-Plus-User Maillist. Also, you may find answered questions of other DFTB+ users in the Maillist archive.


NCI users have access to several versions of DFTB+, such as

License requirements

DFTB+ is free software licensed under the GNU Lesser General Public License.