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<p>Dear WIEN2k community,</p>
<p>I calculated the Ir metal;</p>
<p>FCC, a=3.839A</p>
<p>If I put "SO" or "U" it converges without a problem, <br>
</p>
<p> runsp -so</p>
<p><span> </span>runsp -orb<br>
</p>
<p>but if I put <span><span></span>"SO" and "U" <br>
</span></p>
<p><span><span> </span>runsp -so -orb<br>
</span></p>
<p><span>then it stops after lapw2 dn</span></p>
<p>I have defined<br>
</p>
<span> </span>Ir.struct
<p><span> </span>Ir.inorb</p>
<p><span> </span>Ir.indm</p>
<p><span> </span>Ir.indmc</p>
<p><br>
</p>
<p>I am curious about this problem, although I am not interested in the results since</p>
<p>after</p>
<p><span> </span>runsp -orb</p>
<p>the magnetic moment :MMT=0</p>
<p><br>
</p>
<p>On the other hand <span>if I put IrO2 (rutile) it runs without a problem</span></p>
<p><span><br>
</span></p>
<p><span>What is special for Ir metal to give this problem</span></p>
<p><span><br>
</span></p>
<p><span>Cheers<br>
</span></p>
<p><span><br>
</span></p>
<p><span> Pablo de la Mora</span><br>
</p>
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