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

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

Back to the main page.