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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.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of libxc can then be made available with one of the following:

module load libxc/4.3.4-GCC-10.2.0

Notes

libxc was installed using Easybuild, build details can be found in $EBROOTLIBXC/easybuild with a given module loaded.

Direct dependencies for latest version of libxc