[Pw_forum] Pressure-induced phase transition

[Hongsheng Zhao]

On 07/19/2011 08:15 AM, Hongsheng Zhao wrote:
> 2-  If you have two or more  initial phases and want to find the phase
> transition pressure among them.  In this case, you can do the relax
> calculation for each phase  by impose external pressure in certain
> range.  And then you can plot the E-V or H-V plots for each phase in the
> same Cartesian system  to find the  phase transition point.

Sorry for my posts on this thread, I'm  confused by some other 
calculatoins with this, say, elastic constans.  Dear Amin, the things 
said by Eric is right.  in any case, for studying the  Pressure-induced 
phase transition, you do always do  vc-relax calculations.  Sorry for my 
misleading disscussions in this thread.

Regards
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
School of Physics and Electrical Information Science,
Ningxia University, Yinchuan 750021, China