<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">Perhaps I missed it in a previous post,
but did you mention what line switch you are using in case.insp [
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011883.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011883.html</a>
,
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08602.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08602.html</a>
]?<br>
<br>
Of note, the WIEN2k bug list shows [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/updates/">http://www.wien2k.at/reg_user/updates/</a> ]:<br>
<br>
VERSION_14.1: 8.9.2014<br>
<br>
SRC_lapw2: bug fix for qtl-file with SO<br>
<br>
So updating from 13 to 14.2 should be a good thing to do.<br>
<br>
On 11/22/2015 8:06 AM, mitra narimani wrote:<br>
</div>
<blockquote
cite="mid:CAMRahv9CZ5c9mMin5VXbm2gg7vb-543S=JJt_efMg2fsxdERxg@mail.gmail.com"
type="cite">
<div dir="rtl">
<div dir="ltr">I have tried the simple systems and nanolayers,
and I calculated the band structure of them but I have never
run to this problem. please help me</div>
<div dir="ltr">Best regard. </div>
</div>
<div class="gmail_extra">
<div dir="ltr"><br>
<div class="gmail_quote">2015-11-22 12:53 GMT+03:30 mitra
narimani <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:m.narimani84@gmail.com" target="_blank">m.narimani84@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0
.8ex;border-left:1px #ccc solid;border-right:1px #ccc
solid;padding-left:1ex;padding-right:1ex">
<div dir="rtl">
<div dir="ltr">yes I run x lapw2 -p -c -so -band -qtl,
run of each step gives much time for example x lapw1
-up ... and x lapwso ... </div>
<div dir="ltr">while DOS of this calculation is carried
out very well and the s, p, d and f characters are
determined very well.</div>
</div>
<div class="HOEnZb">
<div class="h5">
<div class="gmail_extra">
<div dir="ltr"><br>
<div class="gmail_quote">2015-11-21 23:29
GMT+03:30 mitra narimani <span dir="ltr"><<a
moz-do-not-send="true"
href="mailto:m.narimani84@gmail.com"
target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:m.narimani84@gmail.com">m.narimani84@gmail.com</a></a>></span>:<br>
<blockquote style="margin:0px
0.8ex;padding-right:1ex;padding-left:1ex;border-right-color:rgb(204,204,204);border-left-color:rgb(204,204,204);border-right-width:1px;border-left-width:1px;border-right-style:solid;border-left-style:solid"
class="gmail_quote">
<div dir="rtl">
<div dir="ltr">Hi yes, I change the first
character corresponding to different atoms
and second corresponding to the s, p, d
and f orbitals and change the size of
heavier plotting but the band structure is
the same as before and defult of wien.</div>
<div dir="ltr">Note, my supercell has 96
atoms and calculations are carried out by
wien2k version13. </div>
</div>
</blockquote>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div>
</div>
</div>
</blockquote>
</body>
</html>