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LDA band structure and hopping matrix elements of CuGeO₃. As sketched on transparency 5, (c), ther are two different antibonding bands which would be at the same energy (but with different dispersion, the upper with maximum at zone center and the lower with maximum at zone boundary), if the edge sharing chain would be isolated. In reallity they are shifted appart from each other by more than 1eV, and only the former crosses the Fermi level. (Its twofold degeneracy now comes from the presence of two chains per unit cell, the slight interaction of which yields the small split.)

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