Re: [Avogadro-Discuss] The defect site changes place after rotation!

[李文凡 <lim...@gm...>]

Thank you very much Dave!
I think I am getting used to the periodic world! ;)

Sincerely,
Murphy


2013/5/21 David Lonie <dav...@ki...>

> On Tue, May 21, 2013 at 9:18 AM, 李文凡 <lim...@gm...> wrote:
> > My apology, it is the left bottom of the mouse...
> >
> > Please find attached the POSCAR file.
> > I do reproduce the problem, but currently I did not find the
> > way to reproduce it regularly. Basically, what I did was
> > just keeping pressing the left mouse bottom and rotate the cell
> > around different axes (Originally I just wanted to investigate
> > the structure).
> >
> > It should be worthy to mention, that this problem also occurs
> > for VESTA!
>
> Looking at the structures and the images from the first post again,
> this is not a bug. The defect isn't moving, but it's remaining in the
> plane of atoms with the smallest x coordinate -- in the first screen
> shot, the X axis is pointing out of the screen, so the defect is on
> the back plane of atoms. After rotating the X axis is pointing down,
> so now the defect is on the top. The structure is the same in both
> cases, nothing is moving -- it's just a matter of perspective ;-)
>
> Dave
>
>
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