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<p>So what is your question??? <br>
</p>
<p>You should present the problem, then explain what happened and at the end try to ask the question.<br>
</p>
<p>Here you present only what came out in the screen and you expect that people will decipher it.</p>
<p><br>
</p>
<p>Pablo<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de guendouz nadin <guendouz.nadin@yahoo.fr><br>
<b>Enviado:</b> sábado, 10 de diciembre de 2016 10:12:09 a. m.<br>
<b>Para:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Asunto:</b> [Wien] Hi calculation elastic constants of hexagonal structure error</font>
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<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12400"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12401">inversion is NOT present
</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12402"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12403">><span style="" id="yui_3_16_0_ym19_1_1481383309203_12404">
</span>input files for lapw1c/2c prepared, no inversion present<span style="" id="yui_3_16_0_ym19_1_1481383309203_12405">
</span>(14:36:47)<span style="" id="yui_3_16_0_ym19_1_1481383309203_12406"> </span>
</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12407"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12408"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12409"> </span>next is kgen
</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12410"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12411" lang="EN-US">forrtl: severe (24): end-of-file during read, unit 20, file /home/nadin/WIEN2k/KZnSb-Wurtz-GGA/elast-constant/c11+c12/KZnSb-Wurtz-GGA/KZnSb-Wurtz-GGA.struct</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12412"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12413" lang="EN-US"> </span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12414"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12415">Image<span style="" id="yui_3_16_0_ym19_1_1481383309203_12416">
</span>PC<span style="" id="yui_3_16_0_ym19_1_1481383309203_12417">
</span>Routine<span style="" id="yui_3_16_0_ym19_1_1481383309203_12418">
</span>Line<span style="" id="yui_3_16_0_ym19_1_1481383309203_12419"> </span>
Source<span style="" id="yui_3_16_0_ym19_1_1481383309203_12420"> </span>
</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12421"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12422">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12423">
</span><span style="" id="yui_3_16_0_ym19_1_1481383309203_12424"> </span>00000000004895AE<span style="" id="yui_3_16_0_ym19_1_1481383309203_12425">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12426">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12427"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12428"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12429">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12430">
</span>0000000000488046<span style="" id="yui_3_16_0_ym19_1_1481383309203_12431">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12432">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12433"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12434"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12435">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12436">
</span>00000000004634C2<span style="" id="yui_3_16_0_ym19_1_1481383309203_12437">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12438">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12439"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12440"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12441">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12442">
</span>0000000000451B0C <span style="" id="yui_3_16_0_ym19_1_1481383309203_12443">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12444">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12445"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12446"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12447">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12448">
</span>000000000045102C<span style="" id="yui_3_16_0_ym19_1_1481383309203_12449">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12450">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12451"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12452"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12453">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12454">
</span>000000000041DB30<span style="" id="yui_3_16_0_ym19_1_1481383309203_12455">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12456">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12457"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12458"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12459">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12460">
</span>0000000000402DCA<span style="" id="yui_3_16_0_ym19_1_1481383309203_12461">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12462">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12463"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12464"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12465">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12466">
</span>000000000040276C<span style="" id="yui_3_16_0_ym19_1_1481383309203_12467">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12468">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12469"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12470"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12471">libc.so.6<span style="" id="yui_3_16_0_ym19_1_1481383309203_12472">
</span>00002B41B76E6B05<span style="" id="yui_3_16_0_ym19_1_1481383309203_12473">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12474">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12475"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12476"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12477">kgen<span style="" id="yui_3_16_0_ym19_1_1481383309203_12478">
</span>0000000000402669<span style="" id="yui_3_16_0_ym19_1_1481383309203_12479">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12480">
</span>Unknown<span style="" id="yui_3_16_0_ym19_1_1481383309203_12481"> </span>
Unknown</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12482"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12483"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12484"> </span>n stop error n
</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12485"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12486" lang="EN-US">cp: cannot stat ‘KZnSb-Wurtz-GGA.clmsum’: No such file or directory</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12487"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12488" lang="EN-US">new_super.clmsum not present, no extrapolation in this cycle</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12489"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12490" lang="EN-US">starting parallel dstart at Fri Dec<span style="" id="yui_3_16_0_ym19_1_1481383309203_12491">
</span>9 14:36:47 EET 2016</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12492"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12493" lang="EN-US">-------- .machine0 : processors</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12494"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12495" lang="EN-US">running dstart in single mode</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12496"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12497" lang="EN-US">ERROR IN STRUCT FILE READ</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12498"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12499" lang="EN-US">**<span style="" id="yui_3_16_0_ym19_1_1481383309203_12500">
</span>dstart crashed!</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12501"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12502" lang="EN-US">cat: No match.</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12503"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12504" lang="EN-US">0.020u 0.012s 0:00.07 42.8%<span style="" id="yui_3_16_0_ym19_1_1481383309203_12505">
</span>0+0k 0+56io 0pf+0w</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12506"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12507" lang="EN-US">error: command<span style="" id="yui_3_16_0_ym19_1_1481383309203_12508">
</span>/home/nadin/Wien14/dstartpara -c dstart.def<span style="" id="yui_3_16_0_ym19_1_1481383309203_12509">
</span>failed</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12510"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12511" lang="EN-US">no KZnSb-Wurtz-GGA.clmsum(_old) file found, which is necessary for lapw0 !</span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12512"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12513" lang="EN-US"> </span></div>
<div style="line-height:normal;" id="yui_3_16_0_ym19_1_1481383309203_12514">
<div dir="ltr" id="yui_3_16_0_ym19_1_1481383309203_14296"><span style="" id="yui_3_16_0_ym19_1_1481383309203_12515">><span style="" id="yui_3_16_0_ym19_1_1481383309203_12516">
</span>stop error</span></div>
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