On Wednesday 30 August 2006 16:09, ?? ? 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 -- Paolo Giannozzi Phone: +39/050-509876 DEMOCRITOS and SNS Fax: +39/050-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
