deletions | additions       diff --git a/section_BaCoSO_Illustrates_the_need__.tex b/section_BaCoSO_Illustrates_the_need__.tex  index eef96f3..b8a3878 100644  --- a/section_BaCoSO_Illustrates_the_need__.tex  +++ b/section_BaCoSO_Illustrates_the_need__.tex 
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We find that the inclusion of even a very small U-J ~ 1eV causes a clear separation of a single structure from the remaining minima, which we term the “ground state". The energy gap between the next-best structure and the ground state widens significantly as U-J increases. This ground state, as it turns out, is indeed the experimentally observed structure.  In order to not miss crucial seed structures which ultimately led to the experimental structure, we found that the randomly generated initial population of structures must be sufficiently large. We found that [XXX] an initial population of size 80  was insufficient and that a population of [XXX] is size 300 was  necessary. In total ~700 metastable structures were produced in 8 generations. In  addition, spin polarization is crucial for the local relaxations performed within each USPEX generation in order to find the experimental structure. When non-spin-polarized DFT was used, we could not  find [Ran, can you elaborate on some of the lowest energy materials (including  the details here?] observed structure)  What causes the relative shift in energies as function of U? Roughly, the correction depends on the occupation of the 3d orbitals to which U is applied, namely the energy difference between two states with occupations n1 and n2 is roughly ∆E ~ U(n1-1/2)(n2-n1). [Gabi, Ran, this is just my hypothesis. Ran, could you check this from the data?]