li niu wrote: > I am doing Raman calculation on boron doped diamond by second-order > response method, as described in example 15. I used the dynmat.x code > to obtain Raman cross sections. Now I want to perform a Raman projected > on specific atoms (partial Raman), but don't know how to do?
you have Raman coefficients for each single atom: what do you mean by "Raman projected on specific atoms (partial Raman)"? Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
