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Sternheimer equation - TDDFT.org

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Linear solvers<br />

Sparse: iteration with only matrix-vector products cheaper than inversion.<br />

General advice: focus on preconditioner, not solver.<br />

Use smoothing. But effective preconditioners are hard in real space<br />

(especially in periodic systems).<br />

Y Saad, Iterative methods for sparse linear systems (2000)<br />

Krylov subspace methods<br />

conjugate gradients (CG): Hermitian<br />

biconjugate gradients (BiCG)<br />

biconjugate gradients stabilized (BiCGSTAB)<br />

quasi-minimal residual (QMR)<br />

complex symmetric<br />

general<br />

symmetrized

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