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