[Pw_forum] Computing Second order response

[Stefano Baroni]

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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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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