[Wien] Supercell

[Peter Blaha]

I suggest you accept ALL changes (after nn AND after sgroup)

On 04/16/2014 11:25 AM, ben amara imen wrote:
> Dear,
>
> I'm working on supercell. Indeed, I have built the supercell 1*1*5 and I
> have done the initilization. Just after xnn  and view output, the code
> request:*Use new struct-file: yes*
> *                                                    no*
>
> Here..What I can choose ??
>
> Me, I have chosen*NO* , then I  changed the space groupe after a warning
> after x sgroup . I want know if my steps are correct???
>
> Knowing that even if I use the new struct file ( choosing *YES*), the
> warning after x sgroup remains and the changing of space groupe is
> always asked.
>
> Can someone helps me please ?
>
> Best Regards
>
> **
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: 
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