CP2K

Getting Started

  • Spack

Methods

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

References

  • Input Reference
    • ATOM
    • DEBUG
    • EXT_RESTART
    • FARMING
    • FORCE_EVAL
      • BSSE
      • DFT
      • EIP
      • EMBED
      • EXTERNAL_POTENTIAL
      • MIXED
      • MM
      • NNP
      • PRINT
      • PROPERTIES
      • PW_DFT
      • QMMM
      • RESCALE_FORCES
      • SUBSYS
        • CELL
        • COLVAR
        • COORD
        • CORE_COORD
        • CORE_VELOCITY
        • KIND
        • MULTIPOLES
        • PRINT
        • RNG_INIT
        • SHELL_COORD
        • SHELL_VELOCITY
        • TOPOLOGY
        • VELOCITY
    • GLOBAL
    • MOTION
    • MULTIPLE_FORCE_EVALS
    • NEGF
    • OPTIMIZE_BASIS
    • OPTIMIZE_INPUT
    • SWARM
    • TEST
    • VIBRATIONAL_ANALYSIS
  • Bibliography
  • Units

Release Versions

  • 2023.2
  • 2023.1
  • All versions
CP2K
  • Input Reference
  • FORCE_EVAL
  • SUBSYS
  • PRINT
  • Edit on GitHub

PRINT

Controls printings related to the subsys [Edit on GitHub]

Subsections

  • ATOMIC_COORDINATES
  • CELL
  • INTERATOMIC_DISTANCES
  • KINDS
  • MOLECULES
  • RADII
  • STRUCTURE_DATA
  • SYMMETRY
  • TOPOLOGY_INFO
Previous Next

© Copyright 2000-2024, CP2K Developers.

Built with Sphinx using a theme provided by Read the Docs.