[Wien] steucture phases stability

2014-02-21 Thread MAHDI SALMANI HIRMAND 
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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Re: [Wien] steucture phases stability

2014-02-21 Thread Oleg Rubel 
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_ri...@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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 Wien@zeus.theochem.tuwien.ac.at
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 SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

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