deletions | additions       diff --git a/section_BaCoSO_For_structure_prediction__.tex b/section_BaCoSO_For_structure_prediction__.tex  index 7770387..eef96f3 100644  --- a/section_BaCoSO_For_structure_prediction__.tex  +++ b/section_BaCoSO_For_structure_prediction__.tex 
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\section{BaCoSO}  Illustrates the need for Ran’s reshuffling.  Illustrates the need for U.  Outcome, a material that was found slightly earlier experimentally.  For structure prediction, it has been commonly assumed that LDA/GGA is sufficient. Whereas comparisons between compounds with differing compositions certainly require the corrections detailed above, it is assumed that the systematic errors in LDA/GGA energies should cancel for differing structures of a *single* given composition. We argue this is not the case. In fact, correlations are important for comparison of energetics among structures for a single composition.  We use USPEX to sample the local minima in the energy landscape of the Ba-Co-S-O system with the elements in a 1:1:1:1 ratio. We allow two formula units in a unit cell. We use VASP as our DFT engine. We use spin-polarized LDA/GGA and do not include U corrections. [Ran, please fill in technical details here — how many k-points, convergence criteria, population sizes, etc.].