The CP2K project : input section DIMER_VECTOR

Section DIMER_VECTOR

Index of all sections. This section is located at __ROOT__%MOTION%GEO_OPT%TRANSITION_STATE%DIMER%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. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

_DEFAULT_KEYWORD_
Specify on each line the components of the dimer vector.
This optional keyword expects a list of reals, and may repeat


Back to the CP2K homepage or the latest version of this manual