Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect
Julian Braun, Christoph Ortner · SIAM Journal on Numerical Analysis · 2020
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.