<p>If you are using -so then of course they will be different.</p>
<p>It is possible that they can be slightly different, but the most likely explanation is that you done havr something wrong. What, no clue, you have not provided enough information.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Feb 13, 2013 6:33 AM, "Tulika Maitra" <<a href="mailto:tulika.maitra@gmail.com">tulika.maitra@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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Dear Wien2k users,<br>
<div class="gmail_quote"><br>
<p>We have performed total energy calculation for a layered Ti oxide within lda+u using both sic and amf versions. The compound is of trigonal symmetry and only the oxygen position is not fixed along z. Varying the latter we find that the minimum of the energy
curve is not where the forces are close to zero. This doesn't happen if we consider a mere LSDA functional: forces and total energies are consistent.<br>
We are quite puzzled by these results and wonder if you could give us some insight.</p>
<p>Thanks & best regards</p>
<p>Tulika Maitra</p>
<p><br>
</p>
</div>
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</blockquote></div>