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Adaptive Anderson mixing for electronic structure calculations

  1. 1.
    SYSNO0576991
    TitleAdaptive Anderson mixing for electronic structure calculations
    Author(s) Novák, Matyáš (FZU-D) ORCID
    Vackář, Jiří (FZU-D) RID, ORCID
    Cimrman, R. (CZ)
    Šipr, Ondřej (FZU-D) RID, ORCID
    Source Title Computer Physics Communications. Roč. 292, Nov (2023). - : Elsevier
    Article number108865
    Document TypeČlánek v odborném periodiku
    Grant GA23-04746S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
    Institutional supportFZU-D - RVO:68378271
    Languageeng
    CountryNL
    Keywords nonlinear solver * adapted mixing coefficient * Anderson mixing * electronic structure calculations * self-consistent cycle
    URLhttps://doi.org/10.1016/j.cpc.2023.108865
    Permanent Linkhttps://hdl.handle.net/11104/0346769
     
Number of the records: 1  

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