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About DFTB+

The DFTB+ code is the successor of the old DFTB and Dylax codes, which were developed in Paderborn in the group of Professor Frauenheim. It is developed in the same group (but now in Bremen in the Bremen Center for Computational Materials Science).

Features

The new code unifies most of the capabilities of those codes and extends them. Among others, it has the following capabilities:

The current stable release is Version 1.0.1, but a newer release quality snapshot (Snapshot 081217) exists.