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arXiv · 1811.08741

Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect

Julian Braun·Christoph Ortner
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Abstract

We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform convergence of the discrete strains.

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Julian Braun, Christoph Ortner. 2018-11-21. Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect. https://arxiv.org/abs/1811.08741

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