[Wien] problem during visualisation supercell structure

2011-06-13 Thread Pooja Rana
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

[Wien] problem during visualisation supercell structure

2011-06-13 Thread shamik chakrabarti
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