Transition State Search of Ammonia: Difference between revisions
Vaspmaster (talk | contribs) (Created page with "== Task == *[http://www.vasp.at/vasp-workshop/tutorials/tutorial_ammonia_flipping.pdf Ammonia Flipping]: A description of the examples "Transition State Search methods". ==...") |
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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 == | ||
Revision as of 17:29, 23 June 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
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