[Wien] (no subject)

2013-12-30 Thread Mouna Mesbahi


Hello user’s wien2k
I want study the structure of Cu2SnS3 but in this structure Cu and Sn are in 
the same position so 
it might be possible to do the calculation instead with a supercell 
can any one tell me How creating the supercell for partial occupancies
thank you in advance ___
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Re: [Wien] (no subject)

2013-12-30 Thread Oleg Rubel
A good starting point will be the mailing list search:
http://www.mail-archive.com/search?q=supercell&l=wien%40zeus.theochem.tuwien.ac.at

Oleg


On Mon, Dec 30, 2013 at 8:53 AM, Mouna Mesbahi  wrote:
>
> Hello user’s wien2k
> I want study the structure of Cu2SnS3 but in this structure Cu and Sn are in
> the same position so
> it might be possible to do the calculation instead with a supercell
> can any one tell me How creating the supercell for partial occupancies
> thank you in advance
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
___
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