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Article
Modified Broyden’s method for accelerating convergence in self-consistent calculations
Physical Review B (1988)
  • Duane D. Johnson
Abstract
A modification to Broyden’s method for obtaining stable and computationally efficient convergence in self-consistent calculations is developed and discussed. The method incorporates the advantages of two schemes proposed by Srivastava and by Vanderbilt and Louie without any increase in complexity. Its improvement over their methods is discussed. The present method is compared with two other widely used convergence methods, simple mixing and Anderson’s method, for the case of the disordered binary alloy Ni0.35Fe0.65 on the verge of a magnetic instability and is shown to be much improved in stability and rate of convergence.
Publication Date
December 14, 1988
Publisher Statement
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Citation Information
Duane D. Johnson. "Modified Broyden’s method for accelerating convergence in self-consistent calculations" Physical Review B Vol. 38 Iss. 18 (1988)
Available at: http://works.bepress.com/duane_johnson/76/