[Wien] (no subject)

[Oleg Rubel]

There are two possibilities: use structure editor (an octave tool, which is a part of Wien2k) or VESTA package. See this thread for details
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12541.html

Once you have the surface, layers can be removed manually to achieve a desired termination. If the material is an insulator, the surface terminated with one type of atoms may be metallic and not stable; it will undergo a surface reconstruction.

I hope it will help
Oleg

> On Jul 6, 2015, at 11:17, chin Sansu <chinsabsu at yahoo.in> wrote:
> 
> Dear Wien2k users
> 
> Is there any way to terminate atomic-layer of a surface with particular atomic layers in 2D cases?
> Like in ABC compound I want to terminate my surface layer once with A, B and then C.
> I looked around previous mails but no specific approach found.
> Any help will be acknowledged. 
> 
> best
> Chin
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