Section TRANSITION_STATE

• Specifies parameters to perform a transition state search

• Section path: CP2K_INPUT / MOTION / GEO_OPT / TRANSITION_STATE

• This section cannot be repeated.

• Subsections

  • DIMER

• Keywords

  • METHOD

• Keyword descriptions

  METHOD
  	METHOD {Keyword}
  	Specify which kind of method to use for locating transition states
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: DIMER
  	List of valid keywords: DIMER Uses the dimer method to optimize transition states.
  	This keyword cites the following reference: [Henkelman1999]