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Chuck-Hou Yee edited tuning2.tex
over 7 years ago
Commit id: 5c86ee8f3dfee75b7764c204f23dff3890443129
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4 \text{La}_2\text{CuS}\text{O}_3 &\rightarrow 3 \text{La}_2\text{SO}_2 + 4\text{Cu} + \text{La}_2\text{SO}_6
\end{align*}
We also investigate the sensitivity of the stability energies to the LDA+U
correction (denoted $\Delta E_M$ in Eq. 6 of
PRB 84, 045115 (2011)). \cite{Jain_2011}). Varying
$\Delta E_M$ from 0.75eV/atom to 0.65eV/atom shifts the stability energies by
less than ~20meV/atom, well within LDA’s error bars, and our conclusions remain
unchanged.