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libxc - Library of exchange and correlation functionals to be used in DFT codes
- Description:
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, and (for the LDAs) 3rd derivatives.
Packages