Transition state search using CASTEP in Material Studio – English Tutorial

Описание к видео Transition state search using CASTEP in Material Studio – English Tutorial

In this tutorial, we will learn how to create supercells, trajectory documents and perform transition state search calculations. We will also do a TS confirmation search which will reveal the minimum energy paths (MEP) and activation energy using CASTEP.
Note: I have used ‘medium’ settings because this is just a tutorial. In your case, you should use more precise settings (fine or ultrafine). Plus, ensure that you go through the report carefully to check if there are any warnings. I also ignored the warnings because this video serves as a guide.
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