Fireball is a ab-initio, local orbital dft simulation program. The Graphical User Interface (GUI) to Fireball is available via java web start at http://fireball.phys.wvu.edu/fireball/Fireball.jnlp In the near future, it will also be able to operate within the Computational Science & Engineering Online (www.cseo.net) environment. Users should simply enter http://fireball.phys.wvu.edu/fireball/Fireball.xml in the cseo address bar. Fireball's GUI consists of a main panel and a tree to switch between configurations on the left. The user can choose a run type from the combo box, and various options will appear in the panels to the right. Users can also choose input and output options below.
Fireball can also download FData. Simply choose a set and press download. You will be prompted where to save the data, and its progress can be viewed on the download tab. Multiple sets can be downloaded simultaneously, and users are free to download from another server if they choose.
You can view the files that the GUI generates by selecting a file and clicking the view file button.
Additionally, you can export answer.xyz to Jmol for visualization. Simply select it and press the view file buttion. You will be prompted to open it in Jmol.
Fireball Wiki