Hi everyone, I am interested in calculating IR intensities for vibrational modes in solids as well as the effect of LO-TO splitting on their frequencies. The SIESTA manual says that a version of 'Vibra' exists with these capabilities. However, the version of 'Vibra' that is distributed with SIESTA 3.0b is able to calculate IR intensities, although the Vibra manual doesn't mention LO-TO splittings. I have tried to get in touch with the suggested contact for information about other version of Vibra (Tom Archer) but I have not received any response. If anyone has any information about this, or a suggestion of how to get in touch with Tom Archer, I'd be delighted to hear from you.
Mike
