<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p>DFT+U and modifying the density matrix (case.dmatup/dn) by
changing the occupations [1-5].<br>
</p>
<p>In the thread of posts and article of the two links you posted,
it looks like they are using that. So, good to see that you
searched and found the answer to your own question.<br>
</p>
<p><br>
</p>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14253.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14253.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-December/024014.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-December/024014.html</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12670.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12670.html</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07595.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07595.html</a><br>
[5]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02116.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg02116.html</a>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/23/2018 10:08 PM, Dinesh Yadav
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAJD5Z+HdY2FPNEOCuc_aDo0T4=CWbiG4P_hrT_3ZMbVDmmZ6cw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div dir="ltr">
<div>Dear Gavin Abo, <br>
</div>
<div><br>
</div>
<div>Thank you for your kind reply.
</div>
<div><br>
</div>
<div>My problem is similar to this mailing list and paper
respectively,<br>
</div>
<div><br>
</div>
<div dir="ltr"><a
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14234.html"
target="_blank" moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14234.html</a></div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><a
href="http://sci-hub.tw/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.115127"
moz-do-not-send="true">http://sci-hub.tw/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.115127</a><br>
</div>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr">On Sun, Sep 23, 2018 at 11:52 PM Dinesh Yadav
<<a href="mailto:yadavdk072@gmail.com"
moz-do-not-send="true">yadavdk072@gmail.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">
<div dir="ltr">Dear wien2k users,<br>
How to calculate for High-spin, intermediate spin and
low-spin configuration. <br>
Thanks in advance !!<br>
<br>
Dinesh Yadav<br>
Tribhuvan University<br>
Kathmandu, Nepal<br>
</div>
</div>
</blockquote>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAJD5Z+HdY2FPNEOCuc_aDo0T4=CWbiG4P_hrT_3ZMbVDmmZ6cw@mail.gmail.com"></blockquote>
</body>
</html>