deletions | additions       diff --git a/We_can_rationalize_this_behavior__.tex b/We_can_rationalize_this_behavior__.tex  index 99cc533..6235ce1 100644  --- a/We_can_rationalize_this_behavior__.tex  +++ b/We_can_rationalize_this_behavior__.tex 
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In addition to structure, we directly examine the density matrix of the 3$d$ orbitals produced by the DFT calculations. The $U-J$ term penalizes non-integer occupancies.  We can rationalize this behavior by [need to look at the data here — maybe it has to do with the local ligand environment of the Co atom, and maybe we won’t be able to rationalize it.]