Libxc
Installed versions
Resource | Version |
---|---|
Dardel/cpe23.12 | 6.2.2 |
General information
Libxc is a library of exchange-correlation and kinetic energy functionals for density-functional theory https://tddft.org/programs/libxc.
How to use
To use this module do
ml PDC/<version>
ml libxc/6.2.2-cpeGNU-23.12
Please consult the official Libxc documentation for more details.