Respected Prof. Blaha and dear Wien2k users,
The structure of supercell has been generated successfully but their is problem
to visualise the position of the doped atom using X-crysden.
The dopent is not appeared in the structre and X- crysden windows shows the
same structure as for pure
Madam,
I think you probably has not changed the atomic number of the
initial structure (pure) to the atomic number of the doped atom. Check
.struct file again.
2011/6/13 Pooja Rana pooja_fizix at ymail.com
Respected Prof. Blaha and dear Wien2k users,
The structure of supercell
2 matches
Mail list logo