[Wien] Positions

Oleg Rubel orubel at lakeheadu.ca
Fri Dec 27 15:57:32 CET 2013

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
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
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