Tutorial: Plotting plain electronic band structures
In this tutorial, we explain how to use DFT Hub to generate a plain electronic band structure plot. We use SrTiO3 as the example system.
Step 1: Select files, set Fermi energy, and parse #
Start by selecting the appropriate files for your simulation workflow and entering the Fermi energy.
Use the files required by your code setup and include optional structure or k-path files when
available (e.g. POSCAR).
After selecting files, click Parse. Even though this looks like a file-upload step, your simulation files do not leave your computer. Parsing and plotting are done locally in your browser.
Step 2: Generate a baseline band-structure plot #
Click Plot to render an initial plain-band figure. Use this first result as your baseline before refining limits and styling.
Step 3: Adjust the energy window with Limits #
To focus on a specific energy range, open Limits in the right sidebar. In this example, set the y-axis range from -6 eV to 8 eV.
Click Plot again to update the figure with the zoomed-in window.
Step 4: Navigate the figure #
Use the zoom slider to focus on specific energy regions and k-point ranges. Drag the slider handles to zoom in or out, and move the selected window to inspect different parts of the band structure.
Customization and styling #
For axis, legend, font, colors, and other appearance controls, use the right sidebar and see the full settings reference in Plot Settings.
Export the figure #
When your figure is ready, click the download button in the chart toolbar to export it. Use this to save a clean image for reports, slides, or publications.