The CP2K project : input section TRANSITION_STATE
Section
TRANSITION_STATE
Index of all sections
. This section is located at
__ROOT__
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MOTION
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GEO_OPT
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TRANSITION_STATE
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Specifies parameters to perform a transition state search. This section can not be repeated and can be optional.
Subsections
DIMER
Section keywords
METHOD
Keyword descriptions
METHOD
TYPE (DIMER)
Specify which kind of method to use for locating transition states
This optional keyword expects a keyword. Default value: DIMER
valid keywords:
DIMER
: Uses the dimer method to optimize transition states.
This keyword cites following reference:
[Henkelman1999]
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