[Wien] problem during visualisation supercell structure

[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 compound.

Please suggest how to resolve the problem and to get the dopent position.

Pooja Rana 

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[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 

>
> 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
> **
> *
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>


-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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[Wien] problem during visualisation supercell structure

[yasir saeed]

Hi pooja 
please give more detail that how you make these doping ?
regards
 Y. Saeed
Lecturer / Research Associate
Department of Physics
GC University, Faisalabad, Pakistan
Cell:+92 345 4041865
Off: +92 41 9201372
Fax: +92 41 9200671
Email: yasir_saeed54321 at yahoo.com
Web  : www.gcuf.edu.pk/





From: Pooja Rana 
To: wien 
Sent: Mon, June 13, 2011 12:53:21 PM
Subject: [Wien] problem during visualisation supercell structure



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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