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
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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