[Wien] Positions

[Oleg Rubel]

Hello Junaid

A good example is GaN. You plot the total energy vs volume for zincblende
and wurtzite structures. The one that comes lower is the stable structure
at ambient conditions.

I hope this helps
Oleg
On Dec 27, 2013 4:23 AM, "Junaid Munir" <junaid_ij2000 at yahoo.com> wrote:

> Respected community members,
>
> Given the lattice constants and angles, is it possible to find the
> positions of atoms in a given compound manually? If possible then how to
> find it?
>
> Best Regards,
> Junaid
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131227/308141be/attachment.htm>