CP2K
Methods
Density Functional Theory
Post Hartree-Fock
Semi-Empiricals
Machine Learning
Embedding
QM/MM
Sampling
Optimization
Spectroscopy
Other Properties
References
Input Reference
ATOM
DEBUG
EXT_RESTART
FARMING
FORCE_EVAL
BSSE
DFT
EIP
EMBED
EXTERNAL_POTENTIAL
MIXED
MM
NNP
PRINT
PROPERTIES
ATOMIC
BANDSTRUCTURE
ET_COUPLING
FIT_CHARGE
LINRES
RESP
TDDFPT
TIP_SCAN
PW_DFT
QMMM
RESCALE_FORCES
SUBSYS
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
PROPERTIES
ET_COUPLING
PROJECTION
PRINT
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PRINT
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Subsections
COUPLINGS