Bader Tutorial#

In this tutorial, we will guide you through the process of setting up and submitting a Bader charge calculation using the app. This will allow you to analyze how charge is distributed across atoms in your structure. For additional information, refer to the in-app guides available throughout the application.

../_images/bader_settings.png — The setup panel for the Bader charge calculation is simple and user-friendly. In most cases, no adjustments are needed. Only modify the pseudopotential group if your use case requires it.#

../_images/bader_results.png — The results panel displays a table of calculated Bader charges for each atom, alongside the visualized structure. You can click on any row in the table to highlight the corresponding atom in the structure view.#