Usage OutlineΒΆ

  1. Decide a substance you want to analyze.

  2. Get the atomic structure information file.

    Search external materials databases (Materials Project, PubChem) by substance name or chemical formula from the search box at the top of the window. Additionally, you can import your own files or modify the atomic structure through the modeling function.

    (→User Interface OverviewExplorer)

  3. Choose the analysis method (calculation engine) and configure the calculation.

    Use the GUI to create input files, specifying the calculation conditions and other parameters as needed.

    (→ProjectInput File Editor)

  4. Run the calculation.

    (→Running Calculation)

  5. Review the result.

    Visualize the data in the form of images or videos and utilize them as you want.