[Pw_forum] lambda convergence

Paolo Giannozzi giannozz at nest.sns.it
Fri Sep 1 11:43:18 CEST 2006

On Wednesday 30 August 2006 16:09, 英国 高 wrote:

>      Before I calculate 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

the large broadening limit is of no interest to you. You should rather check
the opposite limit and try to extrapolate a meaningful value for sigma->0

Paolo Giannozzi             Phone:   +39/050-509876
DEMOCRITOS and SNS          Fax:     +39/050-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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