On May 6, 2010, at 19:51 , Izaak Williamson wrote: > Also, what does I+R mean? Infrared- and Raman-active P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222