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The full-potential linearized augmented plane wave (FPLAPW) method with the generalized gradientapproximations (GGA) is applied to study the compound [Cu(NTTmPy)2(N3)2]n(NITmPy = 2 - (3' - PyridyX) -4, 4, 5, 5 - tetramethylimidazolin - 1 - oxyl - 3 -