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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>
<p></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>
<p><b></b><br>
</p>
<p></p>
<br>
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