>what's the gap of the unperturbed > system? >SB Actually, this is the firs time I calculate the Raman spectrum. I don't clear about the gap of the unperturbed system? It means the electronic band gap?
I appreciate to your explanation. I am sorry about my late reply. >>On May 31, 2010, at 6:10 PM, loc duong ding >> wrote: > >Dear all, > > > >I want calculated IR and Raman of > >nanoribbon. The problem is when the code calcualtion second order response, > >it > >is not convergence. >> ----------------------------------------------- Loc Duong Dinh Ms-Ph.D Student Sungkyunkwan Advanced Institute of Nanotechnology, Sungkyunkwan University, Suwon, 440-746, Korea Email: mambom1902 at yahoo.com, ddloc at skku.edu