[Wien] regarding structure change

mandeep hooda mandeep103 at gmail.com
Fri Aug 28 15:14:05 CEST 2015


 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150828/f7b2c7bf/attachment.html>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150828/f7b2c7bf/attachment-0001.html>


More information about the Wien mailing list