The CP2K project : input section CI_NEB

Section CI_NEB

Index of all sections. This section is located at __ROOT__%MOTION%BAND%CI_NEB.

Controls parameters for CI-NEB type calculation only. This section can not be repeated and can be optional.

Subsections

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Section keywords

Keyword descriptions

NSTEPS_IT
Specify the number of steps of IT-NEB to perform before switching on the CI algorithm
This optional keyword expects an integer. Default value: 5


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