[Wien] TOT ENE -> vacancy energy

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Nov 15 16:36:46 CET 2004


> The vacancy formation energy is:
> E_vac = ((N-1)/N)*E_tot(N) - E_tot(N-1)

Am I right that this is valid only for a cell where all atoms are from the
same element?

Stefaan




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