+
+\vspace{1.5cm}
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+ Final parameter choice
+ }
+
+ \footnotesize
+
+ \underline{Param 1}\\
+ My first choice. Used for more accurate calculations.
+ \begin{itemize}
+ \item $6\times 6 \times 6$ Monkhorst k-point mesh
+ \item $E_{\text{cut-off}}=650\text{ eV}$
+ \item Gaussian smearing ($\sigma=0.05$)
+ \item Use symmetry
+ \end{itemize}
+ \vspace*{0.2cm}
+ \underline{Param 2}\\
+ After talking to the pros!
+ \begin{itemize}
+ \item $\Gamma$-point only
+ \item $E_{\text{cut-off}}=xyz\text{ eV}$
+ \item Gaussian smearing ($\sigma=0.05$)
+ \item Use symmetry
+ \item Real space projection (Auto, Medium) for 'large' simulations
+ \end{itemize}
+ \vspace*{0.2cm}
+ {\color{blue}
+ In both parameter sets the ultra soft pseudo potential method
+ as well as the projector augmented wave method is used with both,
+ the LDA and GGA exchange correlation potential!
+ }
+\end{slide}
+
+\begin{slide}
+
+ \footnotesize
+
+ {\large\bf
+ Properties of Si, C and SiC using the new parameters\\
+ }
+
+ $2\times 2\times 2$ Type 2 supercell, Param 1, LDA, US PP\\[0.2cm]
+ \begin{tabular}{|l|l|l|l|}
+ \hline
+ & c-Si & c-C (diamond) & 3C-SiC \\
+ \hline
+ Lattice constant [\AA] & 5.389 & 3.527 & 4.319 \\
+ Expt. [\AA] & 5.429 & 3.567 & 4.359 \\
+ Error [\%] & {\color{green}0.7} & {\color{green}1.1} & {\color{green}0.9} \\
+ \hline
+ Cohesive energy [eV] & -5.277 & -8.812 & -7.318 \\
+ Expt. [eV] & -4.63 & -7.374 & -6.340 \\
+ Error [\%] & {\color{red}14.0} & {\color{red}19.5} & {\color{red}15.4} \\
+ \hline
+ \end{tabular}\\
+
+ \begin{minipage}{10cm}
+ $2\times 2\times 2$ Type 2 supercell, 3C-SiC, Param 1\\[0.2cm]
+ \begin{tabular}{|l|l|l|l|}
+ \hline
+ & {\color{magenta}US PP, GGA} & PAW, LDA & PAW, GGA \\
+ \hline
+ Lattice constant [\AA] & 4.370 & 4.330 & 4.379 \\
+ Error [\%] & {\color{green}0.3} & {\color{green}0.7} & {\color{green}0.5} \\
+ \hline
+ Cohesive energy [eV] & -6.426 & -7.371 & -6.491 \\
+ Error [\%] & {\color{green}1.4} & {\color{red}16.3} & {\color{green}2.4} \\
+ \hline
+ \end{tabular}
+ \end{minipage}
+ \begin{minipage}{3cm}
+ US PP, GGA\\[0.2cm]
+ \begin{tabular}{|l|l|}
+ \hline
+ c-Si & c-C \\
+ \hline
+ 5.455 & 3.567 \\
+ {\color{green}0.5} & {\color{green}0.01} \\
+ \hline
+ -4.591 & -7.703 \\
+ {\color{green}0.8} & {\color{orange}4.5} \\
+ \hline
+ \end{tabular}