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    Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3 by D. H. Galván, R. Núñez-González, R. Rangel, P. Alemany, A. Posada-Amarillas

    Published 2015-01-01
    “…For this modification the three functionals reveal the characteristics of a metal and the existence of minigaps at high symmetry points of the band structure when spin-orbit coupling is taken into account. …”
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