[Wien] steucture phases stability

Oleg Rubel orubel at lakeheadu.ca
Fri Feb 21 14:50:49 CET 2014


Please, check this text:
http://onlinelibrary.wiley.com/book/10.1002/9780470447710
Chapter 7 "Equilibrium Phase Diagrams from Ab Initio Thermodynamics (pages
163-177)" can be a good starting point.

Oleg


On Fri, Feb 21, 2014 at 7:51 AM, MAHDI SALMANI HIRMAND <
mahdisa_right at yahoo.com> wrote:
>
> Dear Wien2k users,
> How can i find structure phases stability of a compound in two symmetries?
> How can i find the pressure related to it?
> Is it necessary to use Gibbs energy for finding the pressure which
symmetry of compound will change?
> Please give me some advices.
> With best,
> mahdi
>
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