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Visualization Programs
VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies. VESTA runs on Windows, Mac OS X, and Linux. It is contributed free of charge for non-commercial users.
AVOGADRO is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Easy to install and all source code is available under the GNU GPL. Cross-Platform: Linux, and Mac OS X.
XCrysden is a crystalline and molecular structure visualization program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It runs on GNU/Linux, MAC OSX (requires X11) and Windows (requires CYGWIN).
Databases
Atomic Reference Data for electronic structure calculations by Svetlana Kotochigova, Zachary Levine, Eric Shirley, Mark Stiles and Charles Clarck. The table of “Atomic total energies and eigenvalues” for the ground electronic configuration are available here.
The Fermi Surface Database: Images available in the Periodic Table T.-S. Choy, J. Naset, J. Chen, S. Hershfield, and C. Stanton. A database of fermi surface in virtual reality modeling language (vrml). Bulletin of The American Physical Society, 45(1):L36 42, 2000.