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dear all
How can access to the entropy with vasp. I like to evaluat the formation entropy of vacancy
iwith vasp. this is important to me in oreder to evaluat the self diffusion equation. As :
D(t)= const*exp(S/k)*exp(-Q/KT), where Q is the activation energy of the vacancy and S theformation entropy related to the creation of vacancy.
I still wait your help.
Thanks for your time and help

Correct me if I'm wrong, but I'm thinking that the entropy you want is not a property of the electronic structure. Thus Vasp won't calculate it.

You can estimate the entropy from the normal modes of the system. Use a statistical mechanics text to find the entropy of a harmonic oscillator.