CP2K

CP2K
BerliOS Developery

CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as for example density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.

• Version:

  • JUQUEEN: CP2K 3.0.0
  • JURECA: CP2K 4.1

• Licence: The code is distributed under the GPL (GNU General Public License).

• Access and Usage:

  • JUQUEEN

  • JURECA

• Documentation

  • CP2K Manual
  • CP2K WWW Server

Contact: Annika Hagemeier