-\chapter{Simulation}
-
-\newpage
-
-\begin{figure}[!h]
- \begin{center}
- \includegraphics[width=10cm]{min_si.eps}
- \includegraphics[width=10cm]{min_c.eps}
- \includegraphics[width=10cm]{min_sic.eps}
- \caption{Cohesive energies for different lattice constants of $Si$, $C$ and cubic $SiC$.}
- \label{img:ec_vs_lc}
- \end{center}
-\end{figure}
+\chapter{Simulation parameters and test calculations}
+
+\section{Classical potential MD}
+
+\subsection{Tersoff vs. Erhart-Albe SiC potential}
+
+\subsection{Temperature and volume control}
+
+\section{DFT calculations / MD}
+
+\subsection{Used types of super cells}
+
+\subsection[$k$-point sampling]{\boldmath $k$-point sampling}
+
+\subsection{Energy cutoff}
+
+\subsection{Other parameters}
+
+Symmetry, spin, smearing method, real space projection, choice of ensemble and convergence criteria for electronic and ionic relaxation ...
+
+