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      Magnetic, electronic and mechanical properties of SeXO3 (X = Mn, Ni) with the LSDA + U framework

      Journal of Alloys and Compounds
      Elsevier BV

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          Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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            Projector augmented-wave method

            P. Blöchl (1994)
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              Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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                Author and article information

                Journal
                Journal of Alloys and Compounds
                Journal of Alloys and Compounds
                Elsevier BV
                09258388
                January 2021
                January 2021
                : 850
                : 156674
                Article
                10.1016/j.jallcom.2020.156674
                e9e7ae61-02df-47f0-8cb6-8fc85b5c73c0
                © 2021

                https://www.elsevier.com/tdm/userlicense/1.0/

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