[Wien] Bad formation energies for the charged vacancies

Hi Peter, > In the integrals below, \rho is just the electronic charge density > (without nuclei). > Thus c \int{\rho] does NOT vanish and gives c * NE (number of > electrons). > However, if rho comes from electronic states, each eigenvalue is > shifted by the constant c > and thus the sum

[Wien] problem with DOS calculations

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