[Pw_forum] Computing Second order response

[loc duong ding]

I calculate zigag nano ribbon with hydrogen terminated at the edge. I checked DOS that showed no gap. 

> yes - SB

On Jun 14, 2010, at 
>> 11:03 AM, loc duong ding wrote:

>> 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





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