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.
In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA.
module load site-local
- CFLAGS=-O2 -xHost -DNDEBUG
module load development libxc/2.2.3/1
Example Job Scripts