<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">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 class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html</a><br>
<a class="moz-txt-link-freetext" href="http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field">http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field</a>
(or
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html</a>
)<br>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html</a><br>
<br>
On 7/31/2015 1:10 AM, Bin Shao wrote:<br>
</div>
<blockquote
cite="mid:CANyj12DRBLfoRjB-kcDYJ1F7Ldzn_bjyOUy+UdZ3d3+WiU8A2g@mail.gmail.com"
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 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
moz-do-not-send="true"
href="mailto:binshao1118@gmail.com"
target="_blank">binshao1118@gmail.com</a></span></span></div>
</div>
</div>
</div>
</div>
</blockquote>
</body>
</html>