{\bf Limitations related to the short range potential}\\[0.2cm]
Cut-off function limits interaction to next neighbours\\
$\Rightarrow$ Overestimated unphysical high forces of next neighbours
- (factor: $2.4--3.4$)
+ (factor: 2.4--3.4)
\vspace{1.4cm}
\item Building block for surrounding Si host \& further SiC
\item Strain compensation \ldots\\
\ldots Si/SiC interface\\
- \ldots Within stretched coherent SiC structure
+ \ldots within stretched coherent SiC structure
\end{itemize}
\end{itemize}
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\begin{minipage}{11cm}
\vspace{0.2cm}
{\color{black}\bf How to proceed \ldots}\\[0.1cm]
-MC $\rightarrow$ classical potential MD $\rightarrow$ Ground-state DFT \ldots
+MC $\rightarrow$ empirical potential MD $\rightarrow$ Ground-state DFT \ldots
\begin{itemize}
\renewcommand\labelitemi{$\ldots$}
- \item beyond LDA/GGA methods
+ \item beyond LDA/GGA methods \& ground-state DFT
\end{itemize}
Investigation of structure \& structural evolution \ldots
\begin{itemize}
\item Prof. J. Lindner (SiC)
\item Prof. G. Schmidt (DFT + financial support)
\item Dr. E. Rauls (DFT + SiC)
- \item Dr. S. Sanna (VASP)
\end{itemize}
-\vspace{0.2cm}
-
+ \underline{Stuttgart}
\begin{center}
\framebox{
-\bf Thank you for your attention!
+\bf Thank you for your attention / invitation!
}
\end{center}