[Pw_forum] Some electron-phonon questions

Paolo Giannozzi giannozz at nest.sns.it
Wed May 2 14:04:30 CEST 2007

On May 2, 2007, at 12:25 , Miguel Mart=EDnez wrote:

>> From what I read at PW/a2fmod.f90 (use the source, Luke) it seems to
> save some data from the self-consistent calculations. Is this data- 
> saving
> flag equivalent to the previous way of computing the el-ph coupling  
> with
> a second very dense non self-consistent mesh?

not exactly

> In the case of not being equivalent, how small are the differences?

they should be small when convergence is achieved

> On another ground, are displaced Monkhorst-Pack grids compatible with
> electron phonon calculations?

I don't think they are

Paolo Giannozzi, Democritos and University of Udine, Italy

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