[Wien] sgroup and site-symmetry

stargmoon stargmoon at yahoo.com
Mon Sep 8 03:40:35 CEST 2003


Dear all,
 
My system has the space group P6322, but after the space group analysis in WEIN2k, it was changed to P63/mmc. Sure, the atomic positions are the same as my original input, because these two space group have the same position coordinates with different site-symmetry. Do I need to accept the new structure files generated by WIEN2k? 
 
Thanks in advance.
 
sincerely
 
Stargmoon


---------------------------------
Do you Yahoo!?
Yahoo! SiteBuilder - Free, easy-to-use web site design software
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030908/53db499c/attachment.html


More information about the Wien mailing list