<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p>I tried the files you sent me.</p>
<p>When I click on the "ErrorInfo" button, it gives me:</p>
<p>At line 125 of file wn_readbakgegn.f (unit = 8, file =
'case.outputkgen')<br>
Fortran runtime error: Bad integer for item 1 in list input<br>
</p>
<p>Based on the XCrySDen mailing list post for that error at:</p>
<p><a class="moz-txt-link-freetext" href="http://www.democritos.it/pipermail/xcrysden/2015-December/001788.html">http://www.democritos.it/pipermail/xcrysden/2015-December/001788.html</a><br>
</p>
<p>It looks like the "weights of k-points" and sum of the "NUMBER OF
K-POINTS" should match.</p>
<p>However, when I look at your case.outputkgen, it look like their
are 126 "weights of k-points".</p>
<p>Your case.output1up seems to have 152 when the multiple "NUMBER
OF K-POINTS" lines are summed together (instead of the matching
126).<br>
</p>
<p>Maybe more case.outputso_* files were produced at some point in
your calculation. So you maybe doing a cat of too many
case.outputso_* files.</p>
<p>For example, if you had case.outputso_1 ... case.outputso_10
giving 152. It may be that only case.outputso_1 ...
case.outputso_8 should be combined using cat to get 126 in
case.output1up. The case.outputso_9 and case.outputso_10 giving a
sum of 26 for "NUMBER OF K-POINTS" may be from some other
calculation at some point.<br>
</p>
<div class="moz-cite-prefix">On 8/13/2018 11:14 AM, Anup Shakya
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMp+1sOi1Xg3xjZbbxYyj3aeDS7x8HaR=5uCUb2N3fiFuB70nA@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=utf-8">
<div dir="ltr">
<div>Dear Prof. Blaha, <br>
</div>
<div><br>
</div>
<div>Sorry to disturb you again. I have followed all the steps
as suggested by you. <br>
</div>
<div><br>
</div>
<div>
<div>x lapw1 -up -p</div>
<div>x lapw1 -dn -p</div>
<span class="gmail-im">
<div>x lapwso -orb -up -p</div>
<div><br>
</div>
</span>I have concatenated all the case.output files into a
single file case.output1up <br>
</div>
<div>then performed x lapw2 -so -fermi -up -p, opened xcrysden
and clicked Render Fermi surface. I still get an error</div>
<div><br>
</div>
<div>ERROR: while executing exec/usr/lib/xcrysden/wn_readbakgen
bakgen.def<br>
</div>
<div><br>
</div>
<div>I created a new directory and performed the calculations
from scratch again but still the error persists. I have done
non magnetic GGA+SOC+U calculations. Does the command change
for this type of calculations. <br>
</div>
<div><br>
</div>
<div><br>
</div>
I would be grateful to you if you could suggest me where I went
wrong. I did search the previous posts but its not helpful for
this problem.<br>
<div>
<div><br>
</div>
<div>
<div class="gmail_signature"
data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr" style="font-size:12.8px"><font
color="#333333"><font face="tahoma, sans-serif">Anup
Pradhan Sakhya <br>
</font></font></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
<br>
</body>
</html>