[Wien] (no subject)

Oleg Rubel orubel at lakeheadu.ca
Mon Dec 30 17:58:29 CET 2013


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 <mouna.mesbahi at yahoo.fr> 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
>
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