Information

Official site

http://www.tddft.org/programs/libxc/

License

Mozilla Public License Version 2.0

Core Developers

Main authors

  • Miguel A. L. Marques (marques@tddft.org)
  • Micael Oliveira
  • Susi Lehtola

Other contributors

  • Tobias Burnus
  • Georg Madsen (XC_GGA_X_PBEA)
  • Xavier Andrade
  • David Strubbe
  • Lori A. Burns (CMake build system)
  • Daniel Smith (Python interface)
Physical quantities that can be computed
  • exchange-correlation energy density
  • exchange correlation potential (first derivative)
  • exchange correlation kernel (second derivative)
  • exchange correlation kernel (third derivative)
Related App
Document