> Now, that is taken care of, I still have another puzzling situation. I > want to make a 2*2*2 super cell of Silicon. > If I repeat the steps > Type "F" Then specify Si atoms using fractional coordinates (should be > 16 atoms in total, I used material studio to visualize it is correct and > transfer the coordinates to WIEN2K). I do not get are larger diamond > structure. Can you explain why this is?
You don't have to do this yourself. There is a very convenient tool called 'supercell' -- see Sec. 9.20 of the usersguide. Stefaan
