<div dir="ltr">

<p class="MsoNormal" style="text-align:left" align="left">Dear wien2k users</p>

<p class="MsoNormal" style="text-align:left" align="left">I am going to plot &ldquo;Electron
Density&rdquo; for my compound, i.e. Gd5Si4. I could plot its &ldquo;Density of States
(DOS)&rdquo; successfully, but I have a problem with plotting &ldquo;electron density&rdquo;. </p>

<p class="MsoNormal" style="text-align:left" align="left">For plotting &ldquo;electron
density&rdquo;, I did the following steps:</p>

<p class="MsoNormal" style="text-align:left" align="left">1-Click on &ldquo;El. Dense.&rdquo; </p>

<p class="MsoNormal" style="text-align:left" align="left">2- Peruse &ldquo;case.scf1&rdquo; and
then &ldquo;case.scf2&rdquo;.</p>

<p class="MsoNormal" style="text-align:left" align="left">3- Chose &ldquo;Emin=-1 eV&rdquo; and
then click on &ldquo;x lapw2&rdquo;</p>

<p class="MsoNormal" style="text-align:left" align="left">But after a few second,
the program stopped working and the following error was appeared:</p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">Commandline:
x lapw2 -emin -1.0 -up</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">Program
input is: &quot; &quot;</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">&nbsp;</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">forrtl:
severe (24): end-of-file during read, unit 1001, file
/home/nsc/WIEN2k/momeni/Gd5Si4_32/031</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">Image<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>PC<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Routine<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Line<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Source<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000053BDFA<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000053A975<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>00000000004DF696<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000049C456<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000049BBC9<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>00000000004BB9D3<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000047A47B<span style>&nbsp; </span>outp_<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span><span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;</span>180<span style>&nbsp;
</span>outp.f</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>000000000046BDFA<span style>&nbsp; </span>l2main_<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>1973<span style>&nbsp; </span>l2main_tmp_.F</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0000000000474C8C<span style>&nbsp; </span>MAIN__<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>564<span style>&nbsp; </span>lapw2_tmp_.F</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0000000000403CCC<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">libc.so.6<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0000003133C1ECDD<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">lapw2<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>0000000000403BC9<span style>&nbsp; </span>Unknown<span style>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span>Unknown<span style>&nbsp; </span>Unknown</span></p>



<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">706.505u
5.029s 11:53.95 99.6%<span style>&nbsp;&nbsp;&nbsp; </span>0+0k 58952+3984io
50pf+0w</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-size:8pt;font-family:&quot;Courier New&quot;;color:blue">error:
command<span style>&nbsp;&nbsp; </span>/softs/wien11/lapw2 uplapw2.def<span style>&nbsp;&nbsp; </span>failed</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-family:&quot;Courier New&quot;">&nbsp;</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;text-align:left;line-height:normal" align="left"><span style="font-family:&quot;Courier New&quot;">-----------------------------------</span></p>

<p class="MsoNormal" style="text-align:left" align="left">As shown, it seems that
file &ldquo;031&rdquo; causes error. I found that this file was created during performing above
steps, but it was empty. </p>

<p class="MsoNormal" style="text-align:left" align="left">I before could plot &ldquo;Electron
Density&rdquo; for other samples, but for this sample I don&rsquo;t know how to solve the
problem.</p>

<p class="MsoNormal" style="text-align:left" align="left">&nbsp;</p>

<p class="MsoNormal" style="text-align:left" align="left">Cloud you please help me with
this problem?</p>

<p class="MsoNormal" style="text-align:left" align="left">Thank you,</p>

<p class="MsoNormal" style="text-align:left" align="left">M. Zareii</p>

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