Dear Prof. Seitsonen, Thanks for your reply. I understand the difference. When experimentally synthesixed GNRs are on located XY surface, irradiation and scattering light align on Z axis during spectrum measurement. Raman simulation treating with this orientation can afford good agreements.
I hope your code and/or publication will be available soon. Best regards, Takahiro Nakae, Ph.D Institute of Advanced Energy Kyoto University On 2015/01/25 18:13, Ari P Seitsonen wrote: > > Dear Takahiro Nakae, > > I guess I should give an answer, given that I produced the spectrum > in the article referred in your mail and the exercises to that course. > > The methods for calculating the Raman intensity of the different > phonons is not consistent between the article and the exercises: In the > former we used a separate program in which we could choose the wave > vectors of the incoming and scattered light, whereas in the latter a > spherical average (to my knowledge) is performed. > > We are working on publishing the code which would enable doing more > sophisticated analysis of the Raman spectra. > > Greetings, > > apsi _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
