On Nov 19, 2007, at 8:36 , xu yuehua wrote: > i am now computing ir-intensity.and in the input file, i add lo- > to split . > and the result is that some vibration frequency is changed > corresponding > to the *.dynG. and my question is once adding lo-to split, does the > vibrational > model including vibrational vector changed ? if it does, how to get > the changed > vector, because i need to plot the graph about the mode .
program "dynmat.x" recalculates the normal modes: just calculate them with lo-to split, save them to file for plotting Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
