Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations
Physical review. B, Condensed matterPublished 15 March 1982
Kai‐Ming Ho, Jisoon Ihm, John D. Joannopoulos
Citations125
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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.
Keywords
Materials SciencePhysics and Astronomy
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