[Pw_forum] lambda convergence

Stefano Baroni baroni at sissa.it
Wed Aug 30 19:57:20 CEST 2006


On Aug 30, 2006, at 4:09 PM, 英国 高 wrote:

> Dear all PWSCF users,
>    Before I calcualte the electron-phonon coupling constant, I  
> should judge the convergence of lambda with k-mesh and Gaussian  
> broadening. But my results
> show that lambda at a choosed q point do not close to be a constant  
> with increasing Gaussian broadening at different k-meshs,

you mean _decreasing_ don't you?

SB

> it continues to decrease. I think the largest k-mesh has been  
> already very large. So what is the reason for this and how should I  
> choose the gaussian broadening  in this case.
> Thanks for any suggestion.
>                                                                        
>                       user
>                                                                        
>                     guoying
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
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