libxc

Description

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

  • Homepage: https://libxc.gitlab.io

Availability

Module

Generic

E5

Lake

Epyc

Cascade

libxc/5.1.5-GCC-10.3.0

libxc/5.1.5-intel-compilers-2021.2.0

libxc/6.2.2-GCC-12.3.0