Transition State Search of Ammonia
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
Back to the main page.
Requests for technical support from the VASP team should be posted in the VASP Forum.
Upcoming workshop on chemical reactions! Go to event.
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.
Back to the main page.