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Parallelization of the FLAPW method

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Publication:1579507
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DOI10.1016/S0010-4655(00)00120-XzbMath0956.82505WikidataQ126629679 ScholiaQ126629679MaRDI QIDQ1579507

A. Canning, Arthur J. Freeman, Wolfgang Mannstadt

Publication date: 18 March 2001

Published in: Computer Physics Communications (Search for Journal in Brave)


zbMATH Keywords

total energydensity functional theoryparallelizationFLAPWfull-potentialLAPW


Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25)


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High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods ⋮ The LAPW Method with Eigendecomposition Based on the Hari--Zimmermann Generalized Hyperbolic SVD ⋮ Materials by design and the exciting role of quantum computation/simulation



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