Dear All,
I am trying to obtain the raman spectra of monolayer graphene using the CASTEP Polarizibility, IR and Raman Spectra. But I can get only the G peak of the spectra. I also need to obtain the D and 2D from my research. I would be grateful if someone can point out the possible way of doing this. I am using LDA (CA-PZ) as the functional and ultrasoft pseudopotential. I have tried with different cut off energies but nothing seems to work. Thanks a lot in advance.
