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<p><font face="Times New Roman">This might be because of the bugs
that were reported before. Are you using the fixed band.pl and
scf.pl files from the post:</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman"></font><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16069.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16069.html</a><br>
</p>
<br>
<div class="moz-cite-prefix">On 11/8/2017 12:42 PM, Osama Yassin
wrote:<br>
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cite="mid:DB6PR10MB1623393EFC706031981685BEC8560@DB6PR10MB1623.EURPRD10.PROD.OUTLOOK.COM">
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<p>Dear Prof Blaha</p>
<p><br>
</p>
<p>I'm doing some calculations on Fe-doped ZnS (cubic with SG
216) using Wien2k 17.1.
<br>
</p>
<p>1- I set the k-mesh to 10x10x10 which correspond to 47
k-points.</p>
<p>2- The scf ended successfully.</p>
<p>3- Upon trying to plot the band structure I got the following
error</p>
<pre>forrtl: severe (24): end-of-file during read, unit 5, file /home/osama/osama.in1c
Image PC Routine Line Source
lapw1c 0000000000461D5C Unknown Unknown Unknown
lapw1c 0000000000498EF9 Unknown Unknown Unknown
lapw1c 000000000043C27E parallel_mp_init_ 75 modules_tmp_.F
lapw1c 000000000041677E gtfnam_ 89 gtfnam_tmp_.F
lapw1c 000000000042F625 MAIN__ 35 lapw1_tmp_.F
lapw1c 000000000040446E Unknown Unknown Unknown
libc-2.23.so 00002AEDC7201731 __libc_start_main Unknown Unknown
lapw1c 0000000000404369 Unknown Unknown Unknown
0.003u 0.003s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/osama/Wien2k171/lapw1c uplapw1.def failed</pre>
<p>this means it calls lapw1c instead of lapw1. Why this is
happening since the calculations are in a complex mode?. in
another words, why w2web does set the command line: x lapw1
-band -up instead of x lapw1c -band - up?</p>
<p><br>
</p>
<p>If the command <b>x <b><b> lapw1c -band -up is executed</b>
</b>from the terminal everything run without error.</b></p>
<p><b><br>
</b></p>
<p><b>Can you please clarify me this situation. Am I doing
something wrong or it is a bug?.</b></p>
<p><b><br>
</b></p>
<p><b>Best wishes</b></p>
<p><b><br>
</b></p>
<p><b>Osama<br>
</b></p>
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