-For investigating the \si{} structures a Si atom is inserted or removed according to Fig. \ref{fig:basics:ins_pos} of section \ref{section:basics:defects}.
-The formation energies of \si{} configurations are listed in Table \ref{tab:defects:si_self} for both methods used in this work as well as results obtained by other {\em ab initio} studies \cite{al-mushadani03,leung99}.
-\bibpunct{}{}{,}{n}{}{}
-\begin{table}[tp]
-\begin{center}
-\begin{tabular}{l c c c c c}
-\hline
-\hline
- & \hkl<1 1 0> DB & H & T & \hkl<1 0 0> DB & V \\
-\hline
-\multicolumn{6}{c}{Present study} \\
-\textsc{vasp} & 3.39 & 3.42 & 3.77 & 4.41 & 3.63 \\
-\textsc{posic} & 4.39 & 4.48$^*$ & 3.40 & 5.42 & 3.13 \\
-\multicolumn{6}{c}{Other {\em ab initio} studies} \\
-Ref. \cite{al-mushadani03} & 3.40 & 3.45 & - & - & 3.53 \\
-Ref. \cite{leung99} & 3.31 & 3.31 & 3.43 & - & - \\
-\hline
-\hline
-\end{tabular}
-\end{center}
-\caption[Formation energies of Si self-interstitials in crystalline Si determined by classical potential MD and DFT calculations.]{Formation energies of Si self-interstitials in crystalline Si determined by classical potential MD and DFT calculations. The formation energies are given in eV. T denotes the tetrahedral and H the hexagonal interstitial configuration. V corresponds to the vacancy configuration. Dumbbell configurations are abbreviated by DB. Formation energies for unstable configurations are marked by an asterisk and determined by using the low kinetic energy configuration shortly before the relaxation into the more favorable configuration starts.}
-\label{tab:defects:si_self}
-\end{table}
-\bibpunct{[}{]}{,}{n}{}{}
-\begin{figure}[tp]
-\begin{center}
-\begin{flushleft}
-\begin{minipage}{5cm}
-\underline{Tetrahedral}\\
-$E_{\text{f}}=3.40\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/tet_bonds.eps}
-\end{minipage}
-\begin{minipage}{10cm}
-\underline{Hexagonal}\\[0.1cm]
-\begin{minipage}{4cm}
-$E_{\text{f}}^*=4.48\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/hex_a_bonds.eps}
-\end{minipage}
-\begin{minipage}{0.8cm}
-\begin{center}
-$\Rightarrow$
-\end{center}
-\end{minipage}
-\begin{minipage}{4cm}
-$E_{\text{f}}=3.96\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/hex_bonds.eps}
-\end{minipage}
-\end{minipage}\\[0.2cm]
-\begin{minipage}{5cm}
-\underline{\hkl<1 0 0> dumbbell}\\
-$E_{\text{f}}=5.42\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/100_bonds.eps}
-\end{minipage}
-\begin{minipage}{5cm}
-\underline{\hkl<1 1 0> dumbbell}\\
-$E_{\text{f}}=4.39\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/110_bonds.eps}
-\end{minipage}
-\begin{minipage}{5cm}
-\underline{Vacancy}\\
-$E_{\text{f}}=3.13\,\text{eV}$\\
-\includegraphics[width=4.0cm]{si_pd_albe/vac.eps}
-\end{minipage}
-\end{flushleft}
-%\hrule
-\end{center}
-\caption[Relaxed Si self-interstitial defect configurations obtained by classical potential calculations.]{Relaxed Si self-interstitial defect configurations obtained by classical potential calculations. Si atoms and bonds are illustrated by yellow spheres and blue lines. Bonds of the defect atoms are drawn in red color.}
-\label{fig:defects:conf}
-\end{figure}
-The final configurations obtained after relaxation are presented in Fig. \ref{fig:defects:conf}.
+For investigating the \si{} structures, a Si atom is inserted or removed according to Fig.~\ref{fig:basics:ins_pos} of section~\ref{section:basics:defects}.
+The formation energies of \si{} configurations are listed in Table~\ref{tab:defects:si_self} for both methods used in this work as well as results obtained by other {\em ab initio} studies~\cite{al-mushadani03,leung99}.
+\bibpunct{}{}{,}{n}{}{}%
+\begin{table}[tp]%
+\begin{center}%
+\begin{tabular}{l c c c c c}%
+\hline%
+\hline%
+ & \hkl<1 1 0> DB & H & T & \hkl<1 0 0> DB & V \\%
+\hline%
+\multicolumn{6}{c}{Present study} \\%
+\textsc{vasp} & 3.39 & 3.42 & 3.77 & 4.41 & 3.63 \\%
+\textsc{posic} & 4.39 & 4.48$^*$ & 3.40 & 5.42 & 3.13 \\%
+\multicolumn{6}{c}{Other {\em ab initio} studies} \\%
+Ref.~\cite{al-mushadani03} & 3.40 & 3.45 & - & - & 3.53 \\%
+Ref.~\cite{leung99} & 3.31 & 3.31 & 3.43 & - & - \\%
+\hline%
+\hline%
+\end{tabular}%
+\end{center}%
+\caption[Formation energies of Si self-interstitials in crystalline Si determined by classical potential MD and DFT calculations.]{Formation energies of Si self-interstitials in crystalline Si determined by classical potential MD and DFT calculations. The formation energies are given in eV. T denotes the tetrahedral and H the hexagonal interstitial configuration. V corresponds to the vacancy configuration. Dumbbell configurations are abbreviated by DB. Formation energies for unstable configurations are marked by an asterisk and determined by using the low kinetic energy configuration shortly before the relaxation into the more favorable configuration starts.}%
+\label{tab:defects:si_self}%
+\end{table}%
+\bibpunct{[}{]}{,}{n}{}{}%
+\begin{figure}[tp]%
+\begin{center}%
+\begin{flushleft}%
+\begin{minipage}{5cm}%
+\underline{Tetrahedral}\\%
+$E_{\text{f}}=3.40\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/tet_bonds.eps}%
+\end{minipage}%
+\begin{minipage}{10cm}%
+\underline{Hexagonal}\\[0.1cm]%
+\begin{minipage}{4cm}%
+$E_{\text{f}}^*=4.48\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/hex_a_bonds.eps}%
+\end{minipage}%
+\begin{minipage}{0.8cm}%
+\begin{center}%
+$\Rightarrow$%
+\end{center}%
+\end{minipage}%
+\begin{minipage}{4cm}%
+$E_{\text{f}}=3.96\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/hex_bonds.eps}%
+\end{minipage}%
+\end{minipage}\\[0.2cm]%
+\begin{minipage}{5cm}%
+\underline{\hkl<1 0 0> dumbbell}\\%
+$E_{\text{f}}=5.42\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/100_bonds.eps}%
+\end{minipage}%
+\begin{minipage}{5cm}%
+\underline{\hkl<1 1 0> dumbbell}\\%
+$E_{\text{f}}=4.39\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/110_bonds.eps}%
+\end{minipage}%
+\begin{minipage}{5cm}%
+\underline{Vacancy}\\%
+$E_{\text{f}}=3.13\,\text{eV}$\\%
+\includegraphics[width=4.0cm]{si_pd_albe/vac.eps}%
+\end{minipage}%
+\end{flushleft}%
+%\hrule%
+\end{center}%
+\caption[Relaxed Si self-interstitial defect configurations obtained by classical potential calculations.]{Relaxed Si self-interstitial defect configurations obtained by classical potential calculations. Si atoms and bonds are illustrated by yellow spheres and blue lines. Bonds of the defect atoms are drawn in red color.}%
+\label{fig:defects:conf}%
+\end{figure}%
+The final configurations obtained after relaxation are presented in Fig.~\ref{fig:defects:conf}.