[Pw_forum] surface calculations

isaac motochi ismotochi at gmail.com
Thu Mar 19 14:29:28 CET 2009


Thanks to you yccheng.nju for your kind gesture to my question. I
appreciate as i begin to use your advise

On 3/18/09, yccheng.nju <yccheng.nju at gmail.com> wrote:
> Dear motochi,
>       As far as I know, there is not such a script to model diamond(111)
> surface in pwscf package.  But you can build it by yourself with some other
> tools.
>       If you have Materials Studio Visualizer, this work is very easy. You
> can follow the instruction of modeling surface in Materials Studio, and
> covert the *.cell file for pwscf or some other package (abinit, etc. ) !
> I think you can google search some modling tools to build the surface.
>
>
>
> ------------------				
> yccheng.nju
> 2009-03-18
>
> -------------------------------------------------------------
> 发件人:isaac motochi
> 发送日期:2009-03-17 16:13:49
> 收件人:Pw_forum
> 抄送:
> 主题:[Pw_forum] surface calculations
>
> Dear all,
> I wish to get help in setting up a script that can be used in modeling a
> diamond (111) surface upto 5bilayers. I will also appreciate the script can
> be sent to my address ismotochi at gmail.com so that I can view it with
> xcrysden.
>
> regards
>
> Motochi
>
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