Transition State Search of Ammonia: Difference between revisions
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== Task == | == Task == | ||
In this example you will determine the transition state in the flipping of NH<sub>3</sub> by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer Method. | |||
== Download == | == Download == | ||
[ | [[Media:tutorial_ammonia_flipping.pdf| Ammonia Flipping]]: A guide to this example. | ||
[[Media:ammonia_flipping.tgz| ammonia_flipping.tgz]] | |||
Back to the [[The_VASP_Manual|main page]]. | Back to the [[The_VASP_Manual|main page]]. | ||
[[Category:Examples]] | [[Category:Examples]] | ||
Latest revision as of 14:20, 14 November 2019
Task
In this example you will determine the transition state in the flipping of NH3 by means of the Nudged-Elastic-Band (NEB) Method and the Improved Dimer Method.
Download
Ammonia Flipping: A guide to this example.
Back to the main page.