<div dir="auto"><div>Thank you for the suggestion. I ran the program "x lapw1 -band -p" and it worked perfectly. I think there is some issue with the "x lapw1 -band". Again thank you for replying back to me.<br><br><div class="gmail_quote"><div dir="ltr">On Wed, 25 Apr 2018, 6:48 pm Md. Fhokrul Islam, <<a href="mailto:fislam@hotmail.com">fislam@hotmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Hi,</div>
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If a system doesn't have inversion symmetry then you need to add -c switch.</div>
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Try, ' x lapw1 - c -band'.</div>
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best,</div>
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Fhokrul</div>
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<div id="m_-6422516418062326144divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of Riyajul Islam <<a href="mailto:riyajul80@gmail.com" target="_blank" rel="noreferrer">riyajul80@gmail.com</a>><br>
<b>Sent:</b> Wednesday, April 25, 2018 1:12 PM<br>
<b>To:</b> <a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">wien@zeus.theochem.tuwien.ac.at</a><br>
<b>Subject:</b> [Wien] (no subject)</font>
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<div><font size="2">Dear WIEN2K developers,<br>
</font></div>
<font size="2">I am running wien version 17.1 with operating system Centos7. The purpose of my calculations is to get the ZnS bandstucture. Electron density and DOS calculations were successful, when it comes to bandstructure I am unable to run "x lapw1 -band"
and I am getting the following error message:<br>
<br>
</font>
<pre><font size="2">forrtl: severe (24): end-of-file during read, unit 5, file /home/dipraj/dipraj.in1c
Image PC Routine Line Source
lapw1c 000000000046C71E Unknown Unknown Unknown
lapw1c 000000000049FE15 Unknown Unknown Unknown
lapw1c 00000000004428C4 parallel_mp_init_ 75 modules_tmp_.F
lapw1c 0000000000416B86 gtfnam_ 89 gtfnam_tmp_.F
lapw1c 00000000004333FD MAIN__ 35 lapw1_tmp_.F
lapw1c 000000000040471E Unknown Unknown Unknown
<a href="http://libc-2.17.so" target="_blank" rel="noreferrer">libc-2.17.so</a> 00002B311DF79C05 __libc_start_main Unknown Unknown
lapw1c 0000000000404629 Unknown Unknown Unknown
0.006u 0.007s 0:00.01 0.0% 0+0k 0+0io 0pf+0w
error: command /home/dipraj/wien2k/lapw1c lapw1.def failed<br><br><br></font></pre>
<pre><font size="2" face="arial,helvetica,sans-serif">Please help me with this issue and kindly give me a solution for it.<br><br></font></pre>
<pre><font size="2" face="arial,helvetica,sans-serif">Thanks<br></font></pre>
<pre><font size="2" face="arial,helvetica,sans-serif">Riyajul Islam<br></font></pre>
<pre><font size="2" face="arial,helvetica,sans-serif">NIT Nagaland<br></font></pre>
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