-\begin{center}
-\underline{Erhart/Albe}
-\includegraphics[width=2.0cm]{c_pd_albe/100_cmp.eps}
-\end{center}
-\end{minipage}
-\begin{minipage}{2.0cm}
-\begin{center}
-\underline{\textsc{vasp}}
-\includegraphics[width=2.0cm]{c_pd_vasp/100_cmp.eps}
-\end{center}
-\end{minipage}\\[0.2cm]
-Si-C-Si bond angle $\rightarrow$ \unit[180]{$^{\circ}$}\\
-$\Rightarrow$ $sp$ hybridization\\[0.1cm]
-Si-Si-Si bond angle $\rightarrow$ \unit[120]{$^{\circ}$}\\
-$\Rightarrow$ $sp^2$ hybridization
-\begin{center}
-\includegraphics[width=3.4cm]{c_pd_vasp/eden.eps}\\[-0.1cm]
-{\tiny Charge density isosurface}
-\end{center}
-\end{minipage}
-\begin{minipage}{0.2cm}
-\hfill
-\end{minipage}
-\begin{minipage}[t]{8.1cm}
-\begin{flushright}
-{\bf Bond-centered interstitial}\\[0.1cm]
-\begin{minipage}{4.4cm}
-%\scriptsize
-\begin{itemize}
- \item Linear Si-C-Si bond
- \item Si: one C \& 3 Si neighbours
- \item Spin polarized calculations
- \item No saddle point!\\
- Real local minimum!
-\end{itemize}
-\end{minipage}
-\begin{minipage}{2.7cm}
-%\includegraphics[width=2.8cm]{c_pd_vasp/bc_2333.eps}\\
-\vspace{0.2cm}
-\includegraphics[width=2.8cm]{c_pd_albe/bc_bonds.eps}\\
-\end{minipage}
-
-\framebox{
- \tiny
- \begin{minipage}[t]{6.5cm}
- \begin{minipage}[t]{1.2cm}
- {\color{red}Si}\\
- {\tiny sp$^3$}\\[0.8cm]
- \underline{${\color{black}\uparrow}$}
- \underline{${\color{black}\uparrow}$}
- \underline{${\color{black}\uparrow}$}
- \underline{${\color{red}\uparrow}$}\\
- sp$^3$
- \end{minipage}
- \begin{minipage}[t]{1.4cm}
- \begin{center}
- {\color{red}M}{\color{blue}O}\\[0.8cm]
- \underline{${\color{blue}\uparrow}{\color{white}\downarrow}$}\\
- $\sigma_{\text{ab}}$\\[0.5cm]
- \underline{${\color{red}\uparrow}{\color{blue}\downarrow}$}\\
- $\sigma_{\text{b}}$
- \end{center}
- \end{minipage}
- \begin{minipage}[t]{1.0cm}
- \begin{center}
- {\color{blue}C}\\
- {\tiny sp}\\[0.2cm]
- \underline{${\color{white}\uparrow\uparrow}$}
- \underline{${\color{white}\uparrow\uparrow}$}\\
- 2p\\[0.4cm]
- \underline{${\color{blue}\uparrow}{\color{blue}\downarrow}$}
- \underline{${\color{blue}\uparrow}{\color{blue}\downarrow}$}\\
- sp
- \end{center}
- \end{minipage}
- \begin{minipage}[t]{1.4cm}
- \begin{center}
- {\color{blue}M}{\color{green}O}\\[0.8cm]
- \underline{${\color{blue}\uparrow}{\color{white}\downarrow}$}\\
- $\sigma_{\text{ab}}$\\[0.5cm]
- \underline{${\color{green}\uparrow}{\color{blue}\downarrow}$}\\
- $\sigma_{\text{b}}$
- \end{center}
- \end{minipage}
- \begin{minipage}[t]{1.2cm}
- \begin{flushright}
- {\color{green}Si}\\
- {\tiny sp$^3$}\\[0.8cm]
- \underline{${\color{green}\uparrow}$}
- \underline{${\color{black}\uparrow}$}
- \underline{${\color{black}\uparrow}$}
- \underline{${\color{black}\uparrow}$}\\
- sp$^3$
- \end{flushright}
- \end{minipage}
- \end{minipage}
-}\\[0.4cm]
-
-%\framebox{
-\begin{minipage}{3.0cm}
-%\scriptsize
-\underline{Charge density}\\
-{\color{gray}$\bullet$} Spin up\\
-{\color{green}$\bullet$} Spin down\\
-{\color{blue}$\bullet$} Resulting spin up\\
-{\color{yellow}$\bullet$} Si atoms\\
-{\color{red}$\bullet$} C atom
-\end{minipage}
-\begin{minipage}{3.6cm}
-\includegraphics[width=3.8cm]{c_100_mig_vasp/im_spin_diff.eps}
-\end{minipage}
-%}
-
-\end{flushright}
-
-\end{minipage}
-\begin{pspicture}(0,0)(0,0)
-\psline[linecolor=gray,linewidth=0.05cm](-7.8,-8.7)(-7.8,0)
-\end{pspicture}
-
-\end{slide}
-
-\begin{slide}
-
-\headphd
-{\large\bf\boldmath
- C interstitial migration --- ab initio
-}
-
-\scriptsize
-
-\vspace{0.1cm}
-
-\begin{minipage}{6.8cm}
-\framebox{\hkl[0 0 -1] $\rightarrow$ \hkl[0 0 1]}\\
-\begin{minipage}{2.0cm}
-\includegraphics[width=2.0cm]{c_pd_vasp/100_2333.eps}
-\end{minipage}
-\begin{minipage}{0.2cm}
-$\rightarrow$