Requests for technical support from the VASP group should be posted in the VASP-forum.

Transition State Search of Ammonia

From Vaspwiki
Jump to navigationJump to search


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.


Ammonia Flipping: A guide to this example.


Back to the main page.