DFTB+

A text-based interface to the DFTB+ program is provided in order to allow tight-binding DFT calculations.

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

"interface": {
  "type": "dftbplus",
  "configure": {}

The calculation setup is done using the dftb_in.hsd file.