ice a->pb :)

diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex
index 2a976157077480c5126e854b425b280687b2ec1d..2e8d15b90b5070c2896127c9a3d56245aaf252e0 100644 (file)
--- a/posic/talks/upb-ua-xc.tex
+++ b/posic/talks/upb-ua-xc.tex
@@ -1176,11 +1176,13 @@ POTIM = 0.1
  }
 
  Needed so often for input configurations ...\\[0.8cm]
- \begin{minipage}{7.7cm}
- \includegraphics[width=7cm]{100-c-si-db_light.eps}
- \hfill
+ \begin{minipage}{7.0cm}
+ \includegraphics[width=6.5cm]{100-c-si-db_light.eps}\\
+ Qualitative {\color{red}and} quantitative {\color{red}difference}!
  \end{minipage}
- \begin{minipage}{4.5cm}
+ \begin{minipage}{5.5cm}
+ \scriptsize
+ \begin{center}
  \begin{tabular}{|l|l|l|}
  \hline
   & a & b \\
@@ -1194,11 +1196,10 @@ POTIM = 0.1
  in \AA & 0.84 & 0.91 \\
  \hline
  \end{tabular}
+ \includegraphics[width=6.1cm]{c_100_pc_vasp.ps}
+ \end{center}
  \end{minipage}
 
- \begin{center}
- Qualitative {\color{red}and} quantitative {\color{red}difference}!
- \end{center}
 
 \end{slide}
 
@@ -1304,8 +1305,57 @@ POTIM = 0.1
   Molecular dynamics simulations (VASP)
  }
 
+ 2 C atoms in $2\times 2\times 2$ Type 2 supercell
+
+ \small
+
+ \begin{minipage}{7.6cm}
+ Radial distribution\\
+ \includegraphics[width=7.6cm]{md_02c_2222si_pc.ps}
+ \end{minipage}
+ \begin{minipage}{5.0cm}
+ \begin{center}
+ PC average from\\
+ $t_1=50$ ps to $t_2=50.93$ ps
+ \end{center}
+ \end{minipage}
+ Diffusion:
+ \begin{itemize}
+  \item $<(x(t)-x(0))^2>$ hard to determine due to missing info of
+        boundary crossings
+  \item No jumps recognized in the
+ Video \href{../video/md_02c_2222si_vasp.avi}{$\rhd_{\text{local}}$ } $|$
+ \href{http://www.physik.uni-augsburg.de/~zirkelfr/download/posic/md_02c_2222si_vasp.avi}{$\rhd_{\text{remote url}}$}
+ \end{itemize}
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+  Molecular dynamics simulations (VASP)
+ }
+
+ 10 C atoms in $3\times 3\times 3$ Type 2 supercell
+
  \small
 
+ \begin{minipage}{7.2cm}
+ Radial distribution (PC averaged over 1 ps)\\
+ \includegraphics[width=7.0cm]{md_10c_2333si_pc_vasp.ps}
+ \end{minipage}
+ \begin{minipage}{5.0cm}
+ \includegraphics[width=6.0cm]{md_10c_2333si_pcc_vasp.ps}
+ \end{minipage}
+ Diffusion:
+ (Video \href{../video/md_10c_2333si_vasp.avi}{$\rhd_{\text{local}}$ } $|$
+ \href{http://www.physik.uni-augsburg.de/~zirkelfr/download/posic/md_10c_2333si_vasp.avi}{$\rhd_{\text{remote url}}$})
+ \begin{itemize}
+  \item $<(x(t)-x(0))^2>$ hard to determine due to missing info of
+        boundary crossings
+  \item Agglomeration of C? (Video)
+ \end{itemize}
+
 \end{slide}
 
 \begin{slide}