[Pw_forum] Some electron-phonon questions
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-
> flag equivalent to the previous way of computing the el-ph coupling
> a second very dense non self-consistent mesh?
> 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
More information about the users