Electronic structure and absorption spectra of PbI2

The electronic structure of the layer compound PbI2 is calculated by use of the pseudopotential method. The norm-conserving nonlocal form factors of pseudopotential were constructed according to Bachelet-Hamann-Schluter scheme. From the pseudowavefunctions the imaginary part of dielectric function were computed in order to obtain the absorption spectra of PbI2 in fundamental region. On these way the integration over (k) over right arrow space within the irreducible part of Brillouin zone was performed in framework of special points method.