[QE-users] Temperature effect

sally issa sally.issa1 at outlook.com
Fri Feb 25 13:54:49 CET 2022


Hello, 

I want to study the effect of temperature on the mechanical properties pure metal element and metallic alloy like elastic constant, energy formation of defects … 
I have been calculated it at the ground state at 0K.
Can anyone suggest me which expression of Q.E. need to do this calculation please?

Best regards, 
Sally



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