[Pw_forum] QHA - phase transition

[Eleftheria Gkogkosi]

 Dear All,

 I have been trying to implement Sn structural phase transition in 
 Quantum espresso, as in the following link:
 http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_thermal.pdf

 I have tried adjusting various parameters (UPF files, relaxation, k- 
 and q-points, ecut-rho, etc) but my free-energy graphs never cross at 
 the correct point.
 Maybe something wrong with the method I follow.

 Is there a tutorial available in QE, specifically for structural phase 
 transition with temperature?
 I could also dispatch my calculations if one had the time to check.

 Thank you very much
-- 
 Eleftheria Gkogkosi
 Phd Student
 Applied Mathematics & Physics Dept.
 National Technical University of Athens