Abstract
A molecular static model of a CuInSe2 crystal is constructed, and the energies of formation of isolated defects are calculated. An analysis of the interaction between defects shows that, for a high defect concentration (exceeding 1%), the energies of interaction between defects can considerably exceed the values obtained in the continuous medium approximation. It is found that the role of interaction between defects in quantum-chemistry calculations using the model of supercells (periodic defect) is considerably underestimated.
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