When performing calculations with CP2K, you will find a “R E F E R E N C E S” section in the output. This section lists the scientific articles that describe the specific modules and methods used in the calculation.
Sometimes, you may need to cite CP2K in contexts where a detailed list of references is not appropriate (for example, as part of a list of quantum chemistry or solid state physics software packages). In this case, we recommend citing the latest relevant CP2K review. As of May 2020, this is 10.1063/5.0007045.