Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations

Kai-Ming Ho, J. Ihm, and J. D. Joannopoulos
Phys. Rev. B 25, 4260 – Published 15 March 1982
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Abstract

A scheme is devised which drastically reduces the number of iterations required to reach self-consistency in electronic-structure calculations. This scheme is particularly helpful in calculations for systems with large unit cells.

  • Received 2 November 1981

DOI:https://doi.org/10.1103/PhysRevB.25.4260

©1982 American Physical Society

Authors & Affiliations

Kai-Ming Ho

  • Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011
  • Department of Physics, Iowa State University, Ames, Iowa 50011

J. Ihm and J. D. Joannopoulos

  • Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

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Issue

Vol. 25, Iss. 6 — 15 March 1982

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