LibXC

Registered by Yann Pouillon

The LibXC library is providing many exchange-correlation functionals useful for every Density-Functional Theory (DFT) software, removing the need to reinvent the wheel - and thus endlessly reproduce the same errors - when dealing with electron-electron interactions in this framework.

LibXC has been written in C, initially as part of the Octopus Project (http://tddft.org/). It is comprehensive, portable, well-tested and reliable. It is possible to use it from a Fortran code thanks to the provided Fortran 90 wrapper interfaces. The main objective of LibXC is to facilitate the deployment of new exchange-correlation functionals within the DFT community by providing a Fortran-ready bundle, enabling beginners and busy people to start using it immediately.

Project information

Part of:
Electronic Structure Library
Maintainer:
LibXC Developers
Driver:
LibXC Developers
Licence:
GNU LGPL v2.1, GNU LGPL v3

RDF metadata

View full history Series and milestones

trunk series is the current focus of development.

All code Code

Version control system:
Bazaar
Programming languages:
C, Fortran 95

All packages Packages in Distributions

Get Involved

  • Report a bug
  • warning
    Ask a question
  • warning
    Help translate

Downloads

Latest version is 2.2.0
released

All downloads