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We present theoretical calculations of the Raman and IR spectra, as well aselectronic properties at zero and finite temperature to elucidate the crystalstructure of phase III of solid molecular hydrogen. We find that anharmonicfinite temperature are particularly important and qualitatively influences themain conclusions. While P6$_3$/m is the most likely candidate for phase III atthe nuclear ground state, at finite temperature the C2/c structure appears tobe more suitable.

Anhamonic finite temperature effects on the Raman and Infrared spectra to determine the crystal structure phase III of solid molecular hydrogen