+ \begin{tabular}{l|p{2.5cm}|p{2.5cm}|p{4cm}|}
+ & \hkl<0 0 -1> interstitial
+ & local minimum\newline
+ \hkl<1 1 0> C-Si split
+ & intermediate configuration\newline
+ (bond centered conf)\\
+ \hline
+ default & $E_{\text{f}}=3.15407\text{ eV}$\newline
+ {\tiny
+ 434: 4.9027 - 2.00000\newline
+ 435: 5.2543 - 0.00000}
+ & $E_{\text{f}}=??\text{ eV}$\newline
+ {\tiny
+ ??\newline
+ ??}
+ & $E_{\text{f}}=4.40907\text{ eV}$\newline
+ {\tiny
+ 434: 5.0109 - 1.00264\newline
+ 435: 5.0111 - 0.99736}\\
+ \hline
+ No symmetry & $E_{\text{f}}=3.16107\text{ eV}$\newline
+ {\tiny
+ 434: 4.9032 - 2.00000\newline
+ 435: 5.2547 - 0.00000}
+ & $E_{\text{f}}=??\text{ eV}$\newline
+ {\tiny
+ ??\newline
+ ??}
+ & $E_{\text{f}}=4.41507\text{ eV}$\newline
+ {\tiny
+ 434: 5.0113 - 1.00140\newline
+ 435: 5.0114 - 0.99860} \\
+ \hline
+ $+$ spin polarized & $E_{\text{f}}=3.16107\text{ eV}$\newline
+ {\tiny
+ {\color{blue}
+ 434: 4.9033 - 1.00000\newline
+ 435: 5.2544 - 0.00000\newline%
+ }%
+ {\color{green}%
+ 434: 4.9035 - 1.00000\newline
+ 435: 5.2550 - 0.00000}}
+ & $E_{\text{f}}=??\text{ eV}$\newline
+ {\tiny
+ {\color{blue}
+ ??\newline
+ ??\newline%
+ }%
+ {\color{green}%
+ ??\newline
+ ??}}
+ & $E_{\text{f}}=4.10307\text{ eV}$\newline
+ {\tiny
+ {\color{blue}
+ 435: 4.8118 - 1.00000\newline
+ 436: 5.5360 - 0.00000\newline%
+ }%
+ {\color{green}%
+ 433: 4.8151 - 1.00000\newline
+ 434: 5.3475 - 0.00000}} \\
+ \hline
+ \end{tabular}
+
+ \normalsize
+
+ \vspace*{0.3cm}
+
+ {\color{blue}Tracer:}\\
+ Smearing of electrons over two or more (degenerated) energy levels\\
+ $\Rightarrow$ use spin polarized calculations!
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf\boldmath
+ Bond centered configuration revisited ($3\times 3\times 3$ Type 2)
+ }
+
+ Spin polarized calculations
+
+ {\small
+ \begin{minipage}[t]{5.8cm}
+ \underline{Kohn-Sham eigenvalues}\\
+ \begin{minipage}{2.8cm}
+ Spin up:\\
+ 430: 4.2639 - 1\newline
+ 431: 4.7332 - 1\newline
+ 432: 4.7354 - 1\newline
+ 433: 4.7700 - 1\newline
+ 434: 4.8116 - 1\newline
+ 435: 4.8118 - 1\newline
+ 436: 5.5360 - 0\newline
+ 437: 5.5623 - 0
+ \end{minipage}
+ \begin{minipage}{2.8cm}
+ Spin down:\\
+ 430: 4.2682 - 1\newline
+ 431: 4.7738 - 1\newline
+ 432: 4.8150 - 1\newline
+ 433: 4.8151 - 1\newline
+ 434: 5.3475 - 0\newline
+ 435: 5.3476 - 0\newline
+ 436: 5.5455 - 0\newline
+ 437: 5.5652 - 0
+ \end{minipage}\\[0.3cm]