New Version of the Modified Augmented-Plane-Wave Method

H. Bross, G. Bohn, G. Meister, W. Schubö, and H. Stöhr
Phys. Rev. B 2, 3098 – Published 15 October 1970
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Abstract

A method is presented to calculate electronic band structures for a general one-electron potential. Both the wave functions and their gradients are continuous everywhere in the crystal. As a test, calculations for paramagnetic Ni, Cu, and Al by Hanus, Burdick, and Segall, respectively, were repeated, using their muffin-tin potentials.

  • Received 5 September 1969

DOI:https://doi.org/10.1103/PhysRevB.2.3098

©1970 American Physical Society

Authors & Affiliations

H. Bross, G. Bohn, G. Meister, W. Schubö, and H. Stöhr

  • Sektion Physik, University of Munich, Germany

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Issue

Vol. 2, Iss. 8 — 15 October 1970

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