grimmedisp =========== This option defines how to apply Grimme dispersion correction version 3, i.e. DFT-D3. When there is no ``grimmedisp`` in the input file, no DFT-D3 will be applied. .. option:: type .. list-table:: :stub-columns: 1 :widths: 5 20 * - Value - ``bj`` Becke-Johnson DFT-D3 form * - - ``zero`` Zero-damp DFT-D3 form * - Default - None Define form of DFT-D3. There is no default value and you must assign ``bj`` or ``zero``. In most cases, ``bj`` is better, but for some functionals, like M06, M062X, and M06HF, only ``zero`` is available. .. option:: three_body Add three body corrections in DFT-D3. This is useful for large systems. .. option:: tz If triple zeta basis sets are used, this keyword may bring some improvement.