For DFT or TB or any scf calculation supercell is needed to include the defects in material. Now I get the the converged eigen energy and eigen vector at supercell k vector. I can unfold the band diagram with spectral width method to compare it with defect less primitive cell band diagram.
Now for Auger rate there is a conservation in momentum k and E needed. My question is what k points (supercell or primitive) should be used for Auger Rate calculation in material with defects. Or in other words, Do I need to unfold the bands of super cell k points to primitive cell k points for conservation check? What is the physical origin of choosing primitive or supercell k points in rate calculation?
Thanks a lot.