Active maintenance of these web resources ceased in 2012 and they will not be updated. They are posted for archival purposes only. |
|
|
 Cathy Rohrer Posts: 584 Joined: 2/6/2007
|
These full-potential linear muffin-tin-orbital programs are designed to perform band structure, total energy and force calculations within the methods of density functional theory. Full manual is available.
Citation: Andersen, O.K. "Welcome to Abteilung Andersen." Max Planck Institute for Solid State. Launch Site Download Software Sample publications: • Arita R., A. Yamasaki, K. Held, J. Matsuno, K. Kuroki, "Sr2VO4 and Ba2VO4 under pressure: An orbital switch and potential d1 superconductor," Phys. Rev. B, 75 (2007), 174521. • Boeri L., G.B. Bachelet, M. Giantomassi, O.K. Andersen, "Electron-phonon interaction in Graphite Intercalation Compounds," Phys. Rev. B, 76 (2007), 064510. • Kunstmann J., L. Boeri, W.E. Pickett, "Linear response separation of a solid into atomic constituents: Li, Al, and their evolution under pressure," Phys. Rev. B, 75 (2007), 075107. |
|
|
|
|
THE MINERALS, METALS & MATERIALS SOCIETY 5500 Corporate Drive Suite 750, Pittsburgh, PA 15237 USA (directions) www.tms.org |
Telephone 800-759-4867
(U.S. and Canada) 724-776-9000 (elsewhere) Fax 724-776-3770 ·Email webmaster@tms.org |