[gpaw-users] band structure when doubling unit cell

[Pajerowski, Daniel]

Dear GPAW users,

I am confused as to why when I double my unit cell (of the cubic LMnO_3) along one axis, it seems I lose a lot of symmetry in my band structure.  I was hoping to use GPAW to check the magnetic ground state under a few different distortions.

I have varied all of the parameters I could think of, and guess I am making some conceptual error.

My python scripts for the single and doubled systems are attached.

Best,
Daniel
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