most citedLarge scale ab initio calculations based on three levels of parallelization

177 citations · 177 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2007★ 177 cited

Large scale ab initio calculations based on three levels of parallelization

François Bottin, Stéphane Leroux, Andrew Knyazev +1

We suggest and implement a parallelization scheme based on an efficient multiband eigenvalue solver, called the locally optimal block preconditioned conjugate gradient LOBPCG metho…