giannozz at democritos.it
Tue Apr 7 09:44:50 CEST 2009
On Apr 7, 2009, at 9:27 , Ali Tavana wrote:
> Does somebody know the reason of following error in e-ph
> calculations (when q!=0)?
everybody knows the reason, since the same question has been asked
1001 times, and the answer is always the same. See example07/README:
The dense grid must contain all k and k+q grid points used in the
subsequent electron-phonon calculation and must be dense enough to
produce accurate el-phon coefficients (in particular the double-
integral at Ef is very critical). Note that you have to use
grids (k1=k2=k3=0) only, that include k=0!
Paolo Giannozzi, Democritos and University of Udine, Italy
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