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
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_ij2...@yahoo.com wrote:
Respected
In general, not without much more information than you provided, including
spacegroup, number of atoms and types.
On Dec 27, 2013 3:23 AM, Junaid Munir junaid_ij2...@yahoo.com wrote:
Respected community members,
Given the lattice constants and angles, is it possible to find the
positions of
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