[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

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