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Version: 2024.05

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.
Drawing
Drawing
  1. Click BuildBuild 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.

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

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

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