Local Connect Algorithm

• Nudged Elastic Band
• Transition State Refinement

Local connect has three steps.

1. Do a nudged elastic band (NEB) run between min1 and min2 in order to get transition state candidates.

2. Refine the transition state candidates to find actual transition states to the required tolerance.

3. Falls off both sides of the transition state and minimize in order to find the pair of minima which the transition state connects.

See landscape for more complete documentation