DFTBaby 0.1.0
=============

DFTBaby is a software for electronic structure calculations based on longrange-corrected
time-dependent tight-binding DFT (lc-TD-DFTB):
http://dftbaby.chemie.uni-wuerzburg.de

Since it is also written in python, it is simply imported in the :mod:`metafalcon` package which
makes the interface very fast and therefore suitable for large molecular systems.

DFTBaby is used, if the following information is provided in the `meta-config.json` file under the
``"molecular dynamics"`` keyword::

    "interface": {
      "type": "dftbaby",
      "configure": {
        "charge": 0
      }

Additional keywords for DFTBaby can be specified, if a file `dftbaby.cfg` is included in the
working directory. For example, use

::

    [DFTBaby]
    long_range_correction=0
    verbose=0

to switch off the longrange correction and reduce the output.