Lead
See key references above, for all work with BAND
Suggested
G Wiesenekker, G te Velde, and E J Baerends, J. Phys. C: Solid State Phys. 21, 4263 (1988)
G te Velde and E J Baerends, J Comput. Phys. 99 (1), 84 (1992)