[Wien] Reg: Supercell calculation

[Uday]

If I understood your question correctly then here is a suggestion.
start with P, B or F according to it's symmetry and make each atom as
inequivalent atoms.
Suppose you have two Fe atoms in your supercell, present the two Fe as
inequivalent atoms by writing Fe 1, Fe 2. In that case it can not lower
the symmetry.

Regards

> 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
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