[Wien] Supercell

ben amara imen imen.benamara5 at gmail.com
Wed Apr 16 11:25:50 CEST 2014


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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