Lead
See key references above, for all work with BAND
Suggested
G. Wiesenekker, G. te Velde and E.J. Baerends, Analytic quadratic integration over the two-dimensional Brillouin zone. Journal of Physics C: Solid State Physics 21, 4263 (1988)
G. te Velde and E.J. Baerends, Numerical integration for polyatomic systems. Journal of Computational Physics 99, 84 (1992)
Geometry optimization
