[Pw_forum] lambda convergence

英国 高 gaoguoying1981 at yahoo.com.cn
Wed Aug 30 16:09:17 CEST 2006

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, 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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20060830/092ea28b/attachment.html>

More information about the users mailing list