Introduction

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.

Web Page

Official website

Versions

2.2.3

Flavours

1

Architecture

x86_64

Group

module load site-local

Build Details

Compiled with:

• intel/compiler/64/2016.3.210
• intel/mkl/64/2016.3.210
• intel/mpi/2016.3.210
• gcc/6.3.0/1
• CC=icc
• FC=gfortran
• LD=xild
• AR=xiar
• CFLAGS=-O2 -xHost -DNDEBUG

Usage

module load development libxc/2.2.3/1

Example Job Scripts

None required.

Status

Untested.