CP2K (Application)


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


CP2K is freely available under the GPL license.

Availability Table

System Versions
orca 2.5.1, 3.0

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Change Log

o Jan 15, 2015: Installed cp2k/3.0 on kraken, orca, redfin, and saw.
o Nov 5, 2014: Installed cp2k/2.5.1 on hound, kraken, orca, redfin, and saw.