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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