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<p style="margin-top: 0px; margin-bottom: 0px;">Dear Wien comunity,<br>
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<p style="margin-top: 0px; margin-bottom: 0px;">I calculated BaRuO3</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Cubic P (SG 221)<br>
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<p style="margin-top: 0px; margin-bottom: 0px;">a=b=c=4A</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Ba .5,.5,.5<br>
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<p style="margin-top: 0px; margin-bottom: 0px;">Ru 0,0,0</p>
<p style="margin-top: 0px; margin-bottom: 0px;">O .5,0,0</p>
<p style="margin-top: 0px; margin-bottom: 0px;">I do an optimization with low quality RxK=7 Kpoints=100</p>
<p style="margin-top: 0px; margin-bottom: 0px;">Vol; 0,-5,-10,-15,-20</p>
<p style="margin-top: 0px; margin-bottom: 0px;">I try to plot Energy-Vol and I get a flat line above 0 with NaN,NaN...</p>
<p style="margin-top: 0px; margin-bottom: 0px;">I do the same witn Na and I get a nice plot.</p>
<p style="margin-top: 0px; margin-bottom: 0px;">I have the Wien2k 14.2 compiled with intel/Compiler/11.1/072/</p>
<p style="margin-top: 0px; margin-bottom: 0px;">BaRuO3 is a simple system which should not give problems!! but it is giving me lots.</p>
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<p style="margin-top: 0px; margin-bottom: 0px;"> Thanks</p>
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<p style="margin-top: 0px; margin-bottom: 0px;"> Pablo de la Mora<br>
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