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Structure Constants and the LMTO Method

For a crystal with lattice vectors R, the structure constants Sj L in (8.22) may be obtained from (8.20) and the Bloch sum of the cluster structure constants (8.8), i.e. [Pg.120]

The remainder of the LMTO formalism may now be taken over by analogy. This requires essentially the substitutions i - ti and m - qm, but in addition r - r - q in appropriate places, cf. (8.22). For the t4 character (6.33) we find [Pg.121]


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