<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">The html file that you attached
contains no picture.<br>
<br>
As you have said, there is no option for a monoclinic structure
(no monoclinic klist_band template).<br>
<br>
So you have to create your own monoclinic klist_band file, and
that is what the "from xcrysden" option is for.<br>
<br>
1. You have to use XCrySDen ("Generate k-mesh using XCrysden"
button) to create your xcrysden.klist or hand type your own mesh
into xcrysden.klist.<br>
<br>
Section "3.11.4 Bandstructure" in the WIEN2k usersguide
[<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a>]:<br>
<br>
For a few crystal structures template files are supplied in the
SRC-directory, you can also <b>use</b><b><br>
</b><b>XCRYSDEN (save it as xcrysden.klist) to generate a k-mesh
or type in your own mesh</b>.<br>
<br>
2. Select "from xcrysden" and click the "create case.klist_band"
button<br>
<br>
<img src="cid:part1.00040805.08000505@crimson.ua.edu" alt=""><br>
<br>
On 8/28/2015 7:14 AM, mandeep hooda wrote:<br>
</div>
<blockquote
cite="mid:CADECXX7yLygG7CLd6Cvab_RVb0tmxUZ-6gF=Fs24m2dpjsDbOQ@mail.gmail.com"
type="cite">
<div dir="ltr"> Thanks Sir for help. I am writing this mail in
reference to my previous mail SUBJECT " regarding symmetry
change." In w2web i have not selected xcrysden. I have clicked
on "createZrTe3.klist_band where it is already showing simple
cubic and there is no option of monoclinic structure. Initially
when I solved some other structures I got as I expected. But now
it shows simple cubic for tetragonal as well as monoclinic
structure. I have attached html picture of ZrTe3. I have
followed the steps shown in this , nothing more. I hope you
will get the point where I have made mistake. I am really
thankful for your help.<br>
<br>
<br>
<br>
<br>
Thanks and Regards<br>
Mandeep Kumar</div>
</blockquote>
</body>
</html>