Abstract

Publisher Summary This chapter emphasizes, not so much the computational aspects of the Augmented Plane Wave (APW) method, but the method itself and the results that have been obtained using it. It briefly discusses the energy band method as a one electron model for the electronic properties of solids. This chapter considers the major approximations involved in so-called first principle band calculations and the reduction of the crystal many-body problem to the one-electron form. A discussion of the more formal aspects of the APW method including the construction of the muffin-tin potential and its appropriateness for various materials is given here. It compares the APW method with other band calculation methods in current use. It discusses in some detail the results of some APW calculations and their comparison with experiment. Finally, it discusses some recent, and speculate on some projected future, trends in the application of the APW method to solids.

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