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
    • GLOBAL
    • MOTION
      • BAND
      • CELL_OPT
      • CONSTRAINT
      • DRIVER
      • FLEXIBLE_PARTITIONING
      • FREE_ENERGY
      • GEO_OPT
      • MC
      • MD
      • PINT
        • BEADS
        • GLE
        • HELIUM
        • INIT
        • NORMALMODE
        • NOSE
        • PIGLET
        • PILE
        • PRINT
        • QTB
        • STAGING
      • PRINT
      • SHELL_OPT
      • TMC
    • 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
  • MOTION
  • PINT
  • HELIUM
  • PRINT
  • Edit on GitHub

PRINT

The section that controls the output of the helium code [Edit on GitHub]

Subsections

  • ACCEPTS
  • ACTION
  • COORDINATES
  • ENERGY
  • FORCES
  • FORCES_INST
  • MOMENT_OF_INERTIA
  • MOMENT_OF_INERTIA_AVG
  • PERM
  • PLENGTH
  • PROJECTED_AREA
  • PROJECTED_AREA_2_AVG
  • RDF
  • RHO
  • WINDING_NUMBER
  • WINDING_NUMBER_2_AVG
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