3ob-hhmod-1-2

Parameter set 3ob:hhmod-1-2

Density Functional Tight Binding (DFTB) parameter set providing modified H-H for 3ob (for H2).

Before applying it in your work, consult the README file to ensure correct usage.

License Information

The parameter set is distributed under the Creative Commons Attribution-ShareAlike 4.0 International (CC-BY-SA) license.

Important Note: The creators of this work require that you adhere to the attribution requirements specified by this license. If you use this data, either in part or in full, in any research or publication, you must properly cite the scientific references associated with this material. The necessary citations are listed in the README file and must be included in all resulting publications.