<p dir="ltr">Make it 4 spaces.</p>
<p dir="ltr">Also, check your case.inhf</p>
<p dir="ltr">The source of your problem is "obvious". Instead of having 496 electrons filling 248 up/dn states you have 96 filling 48 up/dn. </p>
<p dir="ltr">All we can do is guess what you have done wrong.</p>
<p dir="ltr">---<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">http://www.numis.northwestern.edu</a><br>
Corrosion in 4D <a href="http://MURI4D.numis.northwestern.edu">http://MURI4D.numis.northwestern.edu</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</p>
<div class="gmail_quote">On Sep 27, 2015 08:17, "Marzieh Gh" <<a href="mailto:mghoohestani18@gmail.com">mghoohestani18@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">



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<div dir="ltr">
<p class="MsoNormal" style="line-height:normal"><span>Dear <a href="http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Laurence+Marks%22" target="_blank">
<span style="color:windowtext;text-decoration:none"><span><span>Laurence Marks</span></span></span></a></span></p>
<pre><span>There are </span>two spaces before the 496 in case.in2</pre>
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-- <br>
<div>Marzieh Ghoohestani<br>
PhD Student of Computational Nano Physics<br>
Nano Research Center, Department of Physics<br>
University of Technology, Isfahan, Iran<br>
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