[Pw_forum] phase transformation temperature

Guda Karthik karthik.guda at gmail.com
Wed Aug 11 16:55:57 CEST 2010


     Can anybody suggest a way to estimate the phase transformation
temperature from DFT calculations? I currently have the surface energy data
and the relative phase stability data in bulk.

Karthik Guda
Graduate Student
Materials Engineering
Purdue University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100811/41870c36/attachment.html>

More information about the users mailing list