[Wien] Re : Supercell problem of Al2O3

B. Yanchitsky yan at im.imag.kiev.ua
Mon Sep 3 16:17:19 CEST 2007


swati chaudhury wrote:
> 
> 
>     Hi Bogdan and all Wien users,
>     I have identified the problem.I used w2web to create the supercell.
>     It is not adding the vacuum slab in y and z directions. So the
>     supercell does not show it. But now I tried with shell script.
>     Supercell is created correctly with slab in z direction.
>     I tried with Wien_07  as well as Wien_05 version but in both w2web
>     does not give the correct super structure.
>     Is this a bug?
>     Thank you for all the help.
>     Regards,
>     Swati
> 

I don't know whether is a bug there or not. My typical GUI's are vi and shell ;-)

Regards,

Bogdan


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