[Wien] Total energy vs temperature

[Yue Hai]

Dear users:
   One system AB with structure transition (from cubic to tetragonal)at 
temperature Tc. The total energy of cubic (E-cubic) and tetragonal 
(E-tetra) have been calculated with GGA+SO method with wien2k(other 
parameters are all same, both are paramagnetic and so not spin 
polarizatioin). Can we relate the energy difference between E-tetra and 
E-cubic to the transition temperature Tc: 
       (E-cubic)-(E-tetragonal)=N*(3/2)KTc 
    where N is the total number of the atoms in the unit cell

  if not, how can we estimeate the Tc in wien2k 

Yours
  Hai

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