[Pw_forum] Electronic entropy

[Nicolas FERNANDEZ]

Dear all,

I try to evaluate the electronic entropy contribution to the vacancy formation.

I used smearing with Fermi-Dirac function and a degauss value of 0.01 Ry

A line in the output file look very promising to calculate entropy :
 	smearing contrib. (-TS)   =      -0.11576742 Ry
but I have a doubt about the "T" term. 
It (probably) corresponds to the temperature but the temperature of what? 
What is the temperature unit? 
How to calculate or set it? 
Is my approach correct to evaluate the electronic entropy?

Thank you for your responses.

Best regards,

Nicolas
PhD student 
Aix-Marseille University