[Wien] supercell program

[Torsten Andersen]

Dear Dr. Samara,

well, you could always read the source code. But basically, it takes an 
input cell and generate a supercell with a size according to your input, 
for example 2x2 the original cell. The idea is then that you edit the 
new structure file and put in your impurity "by hand".

There is a FAQ on http://www.wien2k.at/reg_user/faq/ that contains 
enough information to use the supercell program, I think.

Best regards,
Torsten Andersen.

qatad samara wrote:
> Dear Wien2k users
>  
> I want to use the supercell program to study the impurity effect in some 
> iron alloys. The problem is that there is no enough details in the 
> userguide about using this program. so can anyone please tell me where 
> can i find enough information or an example about this program and how 
> to use it.
> Thank you in advance
> 
> 
> Best regards
> Qatad M. Samara
> Departement of Physics
> Yarmouk University
> Irbid- Jordan
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

Symposium on Excited-state properties of solids, Mannheim 2005:
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