The html file that you attached contains no picture.
As you have said, there is no option for a monoclinic structure (no
monoclinic klist_band template).
So you have to create your own monoclinic klist_band file, and that is
what the "from xcrysden" option is for.
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.
Section "3.11.4 Bandstructure" in the WIEN2k usersguide
[http://www.wien2k.at/reg_user/textbooks/usersguide.pdf]:
For a few crystal structures template files are supplied in the
SRC-directory, you can also *use**
**XCRYSDEN (save it as xcrysden.klist) to generate a k-mesh or type in
your own mesh*.
2. Select "from xcrysden" and click the "create case.klist_band" button
On 8/28/2015 7:14 AM, mandeep hooda wrote:
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.
Thanks and Regards
Mandeep Kumar
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