Dispersion interface

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This interface provides dispersion correction to DFT and some other methods. By default, the formulation and parameters of Jurecka et al^[1^] are used.

Atomic parameters are read from database file data/dispersion.yaml.

Parameters for the damping function differ for different methods or functionl/basis set combinations in DFT. If no parameters are provided by the ::dispersion_para:: keyword, cuby attempts to read default parameters for the method from the database file (it contains all parameters published in ^[1^]), and raises an error if no parameters were found.

!Keywords
* ::dispersion_para::
* ::dispersion_mix::
* ::dispersion_db_file::
* ::dispersion_hyb::
* ::dispersion_elements_r::
* ::dispersion_elements_c::

!References
^[1^] Jurecka P., Cerny J., Hobza P., Salahub D. R.; Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations; Journal of Computational Chemistry 28 (2), 555-569, 2007

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