[Wien] help: how to build a supercell

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Tue Dec 13 11:01:53 CET 2005


At www.wien2k.at you can read (http://www.wien2k.at/reg_user/mailing_list/)

"Before posting a question, please try to solve the problem yourself.
There is
a usersguide (search the pdf-file for a relevant keyword)
a FAQ's page,
a digest of previous questions, it can be searched by: "

Hence, you should have gone to the FAQ, where you would have found

http://www.wien2k.at/reg_user/faq/supercells.html

Stefaan


> Dear Everyone,
> Hi, Now I use the Wien2K to do some calculations about Co-adopt ZnO.
> Co atom is at the Zn position. I need to build up a supercell to take
> place Zn atom by Co. But I don't know how to build up supercell. Could
> you nice to tell me how to do that?
> Thank you very much!
> warmest regards,
> Ying
>
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