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Commit e6927bed authored by Paul Baumeister's avatar Paul Baumeister
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add image of 13.5k atoms amorphous CuZr

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source/KKRnano/doc/DomainDecomposition/Cu8640Zr4860.png

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......@@ -177,7 +177,16 @@ $$ \sum_{r} X_{ra} = 1 $$
and
$$ \sum_{a} X_{ra} = n_{a}(r) $$
Experiments with the geometry of amorphous structures of $\mathrm{Cu}_{8640}\mathrm{Zr}_{4860}$
\begin{figure}[h!]
\begin{center}
\includegraphics[width=0.99\textwidth]{Cu8640Zr4860}
\caption{Amorphous structure $\mathrm{Cu}_{8640}\mathrm{Zr}_{4860}$ with $13,500$ atoms.}
\end{center}
\label{fig:Cu8640Zr4860_jmol}
\end{figure}
Experiments with the geometry of amorphous structures of
$\mathrm{Cu}_{8640}\mathrm{Zr}_{4860}$ (c.f.~fig.~\ref{fig:Cu8640Zr4860_jmol})
show that it is fairly compute intensive to construct $\hat W$.
However, we can observe that the derivation between matrix elements of $W$ and a simple
sphere volumen overlap model is small, c.f.~fig.\ref{fig:truncation_sphere_overlap_vs_distance}.
......
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