Introductory Band Structure Calculations in the Undergraduate
Quantum Chemistry Environment
Presented at South Dakota
Academy of Sciences April, 2001.
BICON-CEDiT
by Martin Brändle, Ruedi Rytz, and Gion Calzaferri
Based on program written
by M.-H. Whangbo in the laboratory of R. Hoffmann, Cornell University.
Useful Links and/or interesting links:
5½ Examples in Quantum Mechanics
K point sets: http://cst-www.nrl.navy.mil/bind/kpts/
Center for Computational Material Sciences
A couple of useful tutorials on reciprocal space can be found on the
web at: Departement
of Crystallography in München and University
of Cambridge and the MRC-LMB .