[Wien] Formation energy definitions

[ARIN CHURCH]

Dear wien2k users,
I'm calculating a structure with a vacancy and I want to compare the
formation energy of interstitial and replaced cases.
I was suggested to use the equations:

1.E(interstitial_formation)=E(inter)-E(bulk)-E(interstitial atom)
2.E(relpace_formation)=E(replace) -E(bulk)+E(replaced bulk atom) -E(impurity
atom)

But I'm not sure about this. Is those equations right? Thanks in advance.



Arin
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