Transition State Search of Ammonia: Difference between revisions
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== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/tutorials/tutorial_ammonia_flipping.pdf Ammonia Flipping]: A description | [http://www.vasp.at/vasp-workshop/tutorials/tutorial_ammonia_flipping.pdf Ammonia Flipping]: A step-by-step description. | ||
[http://www.vasp.at/vasp-workshop/examples/ammonia_flipping.tgz ammonia_flipping.tgz] | [http://www.vasp.at/vasp-workshop/examples/ammonia_flipping.tgz ammonia_flipping.tgz] | ||
Revision as of 17:31, 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
Ammonia Flipping: A step-by-step description.
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