[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?


> 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
> 雅虎免费邮箱-3.5G容量,20M附件

Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20060830/0ac4dba0/attachment.html>

More information about the users mailing list