libxc

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.

More Information

For more information visit the libxc website.

Available Versions

These versions of libxc are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Version	BEAR Apps Version
6.2.2-GCC-12.3.0	2023a
6.1.0-GCC-12.2.0	2022b
5.2.3-intel-compilers-2022.1.0	2022a
5.2.3-GCC-11.3.0	2022a
5.1.6-GCC-11.2.0	2021b
5.1.5-intel-compilers-2021.2.0	2021a
5.1.5-GCC-10.3.0	2021a
4.3.4-iccifort-2020.4.304	2020b
4.3.4-iccifort-2019.5.281	2019b
4.3.4-GCC-8.3.0	2019b
4.3.4-GCC-10.2.0	2020b