[Wien] Reg: error in supercell calculation

[Gavin Abo]

> Thank you for your reply sir, i just want to create vacancy so i 
> removed the atom next to the atom2. Is it correct procedure sir, is 
> there any other way.
>
Removing the atom name will not remove the atom.  You have to click the 
"remove atom" link next to the atom in StructGen.  Whether this creates 
the correct vacancy, I don't not know.  You have to determine this 
yourself.  Xcrysden is a good aid, which you can use to help you 
visualize whether the structure looks reasonable or not.