CP2K

Getting Started

  • Spack

Methods

  • Density Functional Theory
  • Post Hartree-Fock
  • Semi-Empiricals
  • Machine Learning
  • Embedding
  • QM/MM
  • Sampling
  • Optimization
  • Properties

References

  • Input Reference
  • Bibliography
  • Units

Release Versions

  • 2023.2
  • 2023.1
  • All versions
    • 2023.2
    • 2023.1
    • 2022.1
    • 9.1
    • 8.2
    • 8.1
    • 7.1
    • 6.1
    • 5.1
    • 4.1
    • 3.0
    • 2.6
    • 2.5
    • 2.4
    • 2.3
    • 2.2
    • 2.1
CP2K
  • CP2K Manual by Version
  • Edit on GitHub

CP2K Manual by Version

  • 2023.2
  • 2023.1
  • 2022.1
  • 9.1
  • 8.2
  • 8.1
  • 7.1
  • 6.1
  • 5.1
  • 4.1
  • 3.0
  • 2.6
  • 2.5
  • 2.4
  • 2.3
  • 2.2
  • 2.1
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