some stuff on migration energies ...

diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex
index f652d80651f63c9b9953be3174c809563d5a8826..524ec2bd4daf1fbc1144d24fe291304a747ca2c1 100644 (file)
--- a/posic/talks/upb-ua-xc.tex
+++ b/posic/talks/upb-ua-xc.tex
@@ -797,25 +797,28 @@ POTIM = 0.1
  $\Delta z=0.325\text{ \AA}$\\
  \end{minipage}
  \begin{minipage}[t]{4.2cm}
- \underline{Final configuration}\\
+ \underline{{\bf Expected} final configuration}\\
  \includegraphics[width=4cm]{c_100_mig/final.eps}\\
  \end{minipage}
- \begin{minipage}[t]{6cm}
+ \begin{minipage}{6cm}
  \begin{itemize}
-  \item Constraints applied:
+  \item Fix border atoms of the simulation cell
+  \item Constraints and displacement of the C atom:
         \begin{itemize}
-         \item along {\color{green}110 direction}
-         \item C atom {\color{red}entirely fixed in position}
+         \item along {\color{green}110 direction}\\
+               displaced by {\color{green} $\frac{1}{10}(\Delta x,\Delta y)$}
+         \item C atom {\color{red}entirely fixed in position}\\
+               displaced by
+               {\color{red}$\frac{1}{10}(\Delta x,\Delta y,\Delta z)$}
         \end{itemize}
-  \item C atom repeatedly displaced by\\
-        $\frac{1}{10}(\Delta x,\Delta y,\Delta z)$
  \end{itemize}
+ {\bf\color{blue}Expected configuration not obtained!}
  \end{minipage}
- \begin{minipage}[t]{0.5cm}
+ \begin{minipage}{0.5cm}
  \hfill
  \end{minipage}
- \begin{minipage}[t]{6cm}
- hier kommt mig energie rein ...
+ \begin{minipage}{6cm}
+ \includegraphics[width=6.0cm]{c_100_110mig_01_albe.ps}
  \end{minipage}