<div dir="auto"><div>A good question which nobody can answer for you. These questions are why we do science.<br><br><div data-smartmail="gmail_signature">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Aug 7, 2019, 18:22 Wien2k User <<a href="mailto:wien2k.user@gmail.com">wien2k.user@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>Dear Wien2k users;</div><div><br></div><div><br></div><div>
<span class="m_-285695496541225117gmail-tlid-translation m_-285695496541225117gmail-translation" lang="en"><span title="" class="m_-285695496541225117gmail-">after 
<span class="m_-285695496541225117gmail-tlid-translation m_-285695496541225117gmail-translation" lang="en"><span title="" class="m_-285695496541225117gmail-">GGA+U</span></span>+SOC

 calculation,  I found that the studied material is a metal (
<span class="m_-285695496541225117gmail-tlid-translation m_-285695496541225117gmail-translation" lang="en"><span title="" class="m_-285695496541225117gmail-">even for a large value of Ueff</span></span>

) but when I redid another calculation with mBJ based on GGA+U+SOC {mbj(GGA+U+SOC)}, I found a semiconductor</span>.<br></span></div><div><span class="m_-285695496541225117gmail-tlid-translation m_-285695496541225117gmail-translation" lang="en"><span title="" class="m_-285695496541225117gmail-"><br></span></span></div><div><span class="m_-285695496541225117gmail-tlid-translation m_-285695496541225117gmail-translation" lang="en"><span title="" class="m_-285695496541225117gmail-">Which of these two behaviors is the most correct?</span></span>

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