<div dir="ltr">Dear Gavin Abo,<div><br></div><div>Thank you very much!</div><div><br></div><div>Best,</div><div><br></div><div>Bin</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Aug 1, 2015 at 1:06 AM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
  
    
  
  <div bgcolor="#FFFFFF" text="#000000">
    <div>If you are trying to combine the LDA+U
      (nmod = 1) and external magnetic field (nmod = 3) option of orb, I
      believe that you still cannot do that without hacking the code:<br>
      <br>
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html" target="_blank">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html</a><br>
      <a href="http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field" target="_blank">http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field</a>
      (or
      <a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html</a>
      )<br>
<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html</a><div><div class="h5"><br>
      <br>
      On 7/31/2015 1:10 AM, Bin Shao wrote:<br>
    </div></div></div><div><div class="h5">
    <blockquote type="cite">
      <div dir="ltr">Dear all,
        <div><br>
        </div>
        <div>I intend to calculated the split of f-band in the external
          magnetic field. Normally, the Hubbard U should be applied to
          the f-orbital. So how to achieve LDA+U and the external
          magnetic field in a single scf calculation?</div>
        <div><br>
        </div>
        <div>Best,</div>
        <div><br>
        </div>
        <div>Bin<br clear="all">
          <div><br>
          </div>
          -- <br>
          <div>
            <div dir="ltr">
              <div><span style="line-height:1.5">Bin Shao</span></div>
              <div>Postdoc</div>
              <div><span style="line-height:1.5">Department of Physics, </span><span style="line-height:1.5">Tsinghua University</span></div>
              <div><span style="line-height:23px">Beijing 100084, P. R. China</span></div>
              <div><span style="line-height:23px">Email: <span><a href="mailto:binshao1118@gmail.com" target="_blank">binshao1118@gmail.com</a></span></span></div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
  </div></div></div>

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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div style="color:rgb(0,0,0);font-family:'lucida Grande',Verdana;font-size:12px;line-height:18px"><span style="line-height:1.5">Bin Shao</span></div><div style="color:rgb(0,0,0);font-family:'lucida Grande',Verdana;font-size:12px;line-height:18px">Postdoc</div><div style="color:rgb(0,0,0);font-family:'lucida Grande',Verdana;font-size:12px;line-height:18px"><span style="line-height:1.5">Department of Physics, </span><span style="line-height:1.5">Tsinghua University</span></div><div style="color:rgb(0,0,0);font-family:'lucida Grande',Verdana;font-size:12px;line-height:18px"><span style="line-height:23px">Beijing 100084, P. R. China</span></div><div style="color:rgb(0,0,0);font-family:'lucida Grande',Verdana;font-size:12px;line-height:18px"><span style="line-height:23px">Email: <span><a href="mailto:binshao1118@gmail.com" target="_blank">binshao1118@gmail.com</a></span></span></div></div></div>
</div>