@mkhorton tagging you here again to suggest best way for validation or correction
@munrojm can you comment on this, does the k-path look correct? Do we check the structure/k-path is correct before blessing a task in the new builder?
@mbrod, I concur, it does look like this has been calculated for the non-primitive cell, thanks for reporting. Out of interest, how did you encounter this issue?
@mkhorton the path is correct, but it does look like the NSCF calculation has been completed on the non-primitive cell for some reason.
Double checking k-paths with respect to the primitive structure is not currently implemented in the new builder. I will add that in so we can catch cases like this in the future.
I noticed it because a lab mate and I were discussing some electronic structure calculations for Mg2Si. I went on materials project to look at the structure and noticed that the bands on MP looked like the primitive cell bands that we were looking at folder over each other like in a supercell.