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Motivated by these ideas and the observation of a pressure-tuned metal-insulator transition, there was an experimental effort to apply chemical pressure via substitution of the large sulfur ion by the smaller oxygen ion in BaCoS$_2$ to form BaCoSO. The fully-substituted end member BaCoO$_2$ was already known. In this work, we attempted to predict the structure of BaCoSO without input from experiment.  \emph{Electronic structure} -- We have performed DFT calculations for BaCoSO. BaCoSO using the experimentally-confirmed structure, as described below.  The orbitally-resolved densities of state are plotted in Fig.~\ref{fig:bacoso-dos} [I [Ran, I  think it would be a good idea to have at least a DFT DOS plot for BaCoSO]. From DFT, we find a $d$-metal where the density at the Fermi level is composed mainly of the Co $3d$ states. As expected, these states hybridize moderately with the oxygen and sulfur $p$ states, which are located XXXeV below the Fermi level. \emph{Structure prediction} -- It has been commonly assumed that LDA/GGA is sufficient for structure prediction. Whereas comparisons between compounds with differing compositions certainly require the corrections detailed above, it has been 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.