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 step-by-step description.
[http://www.vasp.at/vasp-workshop/tutorials/tutorial_ammonia_flipping.pdf Ammonia Flipping]: A guide to this example.


[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 17:32, 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 guide to this example.

ammonia_flipping.tgz

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