Deprecated: please see new documentation site.



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.

Online Resources: http://www.cp2k.org/


Users may direct questions to sys-help@loni.org.

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