[QE-users] Bands calculation with lda+U and constrained magnetization

[Johnson, Miles R.]

Hi All,

I've seen this problem posted in a few places, and I'm sure it has been answered but not in the places I've looked.

lda+U computations only work with constrained magnetization (i.e. nspin=2), but the bands.x executable throws an error "The bands code with constrained magnetization has not been tested" when run with this. I've tried this with QE7.0 and QE6.5, same error. Deleting all the magnetization inputs in the pw.x bands calculation didn't seem to work. Does anyone have a workaround for this?

Thanks,
Miles Johnson
PhD Candidate in Applied Physics
California Institute of Technology
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