<div dir="ltr"><div>I think you have to specify "lda_plus_u_kind=1"<br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Sep 1, 2015 at 12:33 AM, E. H. Smith <span dir="ltr"><<a href="mailto:ehs73@cornell.edu" target="_blank">ehs73@cornell.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear all,<div><br></div><div>I have been trying to do computations on a system with both a Hubbard U and spin-orbit coupling. However, when I set</div><div>
<p><span>lda_plus_u=.TRUE.</span></p><p><span>Hubbard_U(2)=4.5,</span></p><p><span>lspinorb=.true.,</span></p><p><span>
</span></p><p><span>noncolin=.true.,</span></p><p><br></p></div><div>I get the following error:</div><div>
<p><span> from vhpsi : error # 1</span></p>
<p><span> nstart<>counter</span></p></div><div><br></div><div>I found an old thread on the forum from 2010 describing the same problem.</div><div><br></div><div><a href="http://qe-forge.org/pipermail/pw_forum/2010-May/091318.html" target="_blank">http://qe-forge.org/pipermail/pw_forum/2010-May/091318.html</a><br></div><div><br></div><div>At the time, LDA+U+spin orbit coupling was not supported. Is this still the case?</div><div><br></div><div>Thanks in advance,</div><div>Eva Smith</div></div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><span><span><font color="#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222" target="_blank">+39-0432-558222</a></font></span></span></div></div></div></div>
</div>