BAND-STRUCTURE AND OPTICAL-PROPERTIES OF HGI2

We have used the linear muffin-tin orbital-atomic sphere approximation method to calculate the band structure of red HgI2. Our results are i n excellent agreement with the self-consistent Korringa-Kohn-Rostoker calculation of Turner and Harmon. Using our self-consistent potential, we have calculated the anisotropic frequency-dependent dielectric fun ction. This dielectric function is in agreement with the experimental data. We compare our calculations with those reported by Chang and Jam es using an empirical nonlocal pseudopotential.