Transition state structure

Take the transition of lithium atoms at the hollow position on graphene as an example:

1. The initial and final structure of the completed structure optimization will be imported.

2. Click Build → Build Transition State Structure, select the initial and final state structure in the pop-up window, click Auto Find, set the Images to 5, and click preview.

3. Play the path to observe, confirm that it is correct, and then click Load.

4. Fine-tune the position of lithium atoms frame by frame within the new window