[Pw_forum] Computing Second order response

[loc duong ding]

>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