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      <p>Dear,</p>

      <p>I'm interested in simulate metal oxide that has two different

        valence state (oxidation number) in the same compound.</p>

      <p>For example:<br>

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      <p>Is well-known from experimental results that spinel compounds

        have Mn ions with valence +3 and +4, LiMn3+Mn4+O4.</p>

      <p>How can I simulate this behavior in QE?</p>

      <p>And also, How can I post-process the two atoms like were

        different?</p>

      <p>Thank in Advance!</p>

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          ga-publication-viewer js-publication-item-fulltext-content"

href="https://www.researchgate.net/publication/245108648_Factors_affecting_Li_mobility_in_spinel_LiMn_2O_4-A_first-principles_study_by_GGA_and_GGA_U_methods">

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    <div class="moz-signature">-- <br>

      Sincerely,<br>

      <p>Máximo Ramírez<br>

        Research Assistant<br>

        Nanotechnology Laboratory, INTEC<br>

        Santo Domingo, Dominican Republic<br>

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