Library of exchange and correlation functionals for density-functional theory
libxc is a library of exchange and correlation functionals. Its purpose is to be used in codes that implement density-functional theory. For the moment, the library includes most of the local density approximations (LDAs), generalized density approximation (GGAs), and meta-GGAs. The library provides values for the energy density and its 1st, 2nd, 3rd, and 4th derivatives.
You can contact the maintainers of this package via email at
libxc dash maintainers at fedoraproject dot org.