On Fri, 2011-10-07 at 15:54 +0300, HASAN SAHIN wrote: > According to this, my system has a symmetry.
it has no inversion symmetry. If I remember correctly, in systems having inversion symmetry, modes are either IR- or Raman-active but not both. Do you have any evidence that some of the modes indicated as active are not? P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
