Impurity scattering for dense grids

[Vahid]

Dear EPW community,

I have a system which requires a 250x250x250 k/q grid to converge the conductivity without impurity. I had to break up this big job into k-segments and q-segments to finish it.

To add impurity, I tried to break up the q-grid into segments but the code crashed. Does the impurity routine only work for k/q grids defined in the full BZ using nkfs and nqfs (because of IBTE)? I know that mp_mesh_k reduces the BZ points to the wedge but still that is a huge job. Is there a way to break up this large impurity scattering calculation?

Thanks,
Vahid

Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University
Halifax, Canada

[Vahid]

I did manage to break up the calculation by setting IBTE to .false. and removing the magnetic fields.
Vahid