[Pw_forum] IR-Raman calcualtion

[loc duong ding]

Dear all,

I tried to calculation the Ir-Raman cross-section of nanoribbon. 

I saw in some topics in the forum that showed that occupations is not used for calculation IR-Raman cross section. 
However, I can not get the convergence of scf calculation if smearing is not used. 

Can you give me some instructions to overcome this problem? 

I appreciate all your helps. 

 
Sincerely, 
-----------------------------------------------
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