DFTDn

DFTDn, also known as DFTDn 2019, is a software package developed by the Department of Chemistry at the University of Cambridge. It is designed for performing Density Functional Theory (DFT) calculations, which are a type of computational chemistry method used to investigate the electronic structure of molecules and materials. DFTDn is particularly noted for its implementation of the Dn dispersion correction, which improves the accuracy of DFT calculations for systems involving weak interactions, such as van der Waals forces.

The software is written in Fortran and is designed to be efficient and user-friendly. It can be used to perform a wide range of DFT calculations, including geometry optimizations, frequency calculations, and molecular dynamics simulations. DFTDn is also capable of handling periodic systems, making it a valuable tool for studying materials science.

DFTDn is open-source and is freely available for download from the University of Cambridge's website. It is regularly updated to include new features and improvements, and the development team actively seeks feedback from users to guide future development.

In summary, DFTDn is a powerful and versatile tool for performing DFT calculations, with a particular focus on improving the accuracy of calculations involving weak interactions. Its open-source nature and active development make it a valuable resource for researchers in the fields of computational chemistry and materials science.