Dear Dr. Matteo,<div><br></div><div>Thanks for your reply! That is very useful. I will try and see what is the result.<br><br><div class="gmail_quote">On Mon, Sep 24, 2012 at 11:08 PM, Matteo Cococcioni <span dir="ltr"><<a href="mailto:matteo@umn.edu" target="_blank">matteo@umn.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Peng,<br>
<br>
I'm not expert of the non collinear implementation but I would expect<br>
the U to not depend strongly on the orientation of localized magnetic<br>
moments. So, at first approximation, you could use the one you compute<br>
the usual way, from collinear magnetism.<br>
<br>
HTH,<br>
<br>
Matteo<br>
<div><div class="h5"><br>
<br>
<br>
On Mon, Sep 24, 2012 at 8:53 PM, Peng Chen <<a href="mailto:pchen@ion.chem.utk.edu">pchen@ion.chem.utk.edu</a>> wrote:<br>
> Dear All,<br>
><br>
> It looks like the noncollinear calculation only supports lda_plus_u_kind=1<br>
> currently, and it can not be used with Hubbard_alpha to calculate U. So is<br>
> there a way to calculate U for lda_plus_u_kind=1 or will noncollinear<br>
> calculation support lda_plus_u_kind=0 in the near future?<br>
><br>
> --<br>
> Best Regards.<br>
> Peng<br>
><br>
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<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
--<br>
Matteo Cococcioni<br>
Department of Chemical Engineering and Materials Science,<br>
University of Minnesota<br>
421 Washington Av. SE<br>
Minneapolis, MN 55455<br>
Tel. <a href="tel:%2B1%20612%20624%209056" value="+16126249056">+1 612 624 9056</a> Fax <a href="tel:%2B1%20612%20626%207246" value="+16126267246">+1 612 626 7246</a><br>
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br> Best Regards.<br> Peng <br>
</div>