Section DIMER_VECTOR

• Specifies the initial dimer vector (used frequently to restart DIMER calculations). If not provided the starting orientation of the dimer is chosen randomly.

• Section path: CP2K_INPUT / MOTION / GEO_OPT / TRANSITION_STATE / DIMER / DIMER_VECTOR

• This section cannot be repeated and can be optional.

• Subsections

  • none

• Keywords

  • DEFAULT_KEYWORD

• Keyword descriptions

  DEFAULT_KEYWORD
  	<REAL> <REAL> <REAL>
  	Specify on each line the components of the dimer vector.
  	This optional keyword can be repeated and it expects a list of reals.