IR and Raman calculation in QE is based on perturbation. Unfortunately, metal can not be treated by perturbation theory.
On 10/27/15, Gul Rahman <[email protected]> wrote: > Dear All, > Is it possible to calculate the Raman and IR spectra of metallic clusters > with QE. I heard it is possible to calculate it for semiconductors, but not > for metallic. > Why QE is not able to calculate IR and Raman spectra of a metallic system. > Thanks, > Gul > > > -- > > > Dr. Gul Rahman > Assistant Professor, > Department of Physics, > Quaid-i-Azam University, > Islamabad, Pakistan > http://www.qau.edu.pk/profile.php?id=818020 > -- ____________________________________ Hui Wang School of physics, Henan University of Science and Technology, Henan, China _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
