[Wien] Reg: Supercell calculation

[Shwetha Gummula]

Dear wien2k users and developers,

                      I am working on Heusler alloys, i am trying to create
the supercell then dope with some element. I created 2x2x2 supercell, then
it is lowering the symmetry and changing the space group (giving the
lattice type P, B..). Is it possible to be in that spacegroup and create
supercell??.

When we will create the supercell  it changes the  symmetry, so my doubt
is  how to compare the original structure with the supercell structure
where the spacegroup is different.
 Thanking you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131112/7f443450/attachment.htm>