[Wien] problem during visualisation supercell structure

[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 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 compound.
>
> Please suggest how to resolve the problem and to get the dopent position.
>
> *Pooja Rana
> **
> *
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>


-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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