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Exchange-correlation functionals for DFT

Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes.

Version: 6.2.2 License: (MPL-2 or LGPL-2.1+) GitHub
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2025-Mar-13 to 2025-Apr-12


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