[Pw_forum] lambda convergence

[Paolo Giannozzi]

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
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