added upb - ua exchange file :)

diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex
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+\pdfoutput=0
+\documentclass[landscape,semhelv]{seminar}
+
+\usepackage{verbatim}
+\usepackage[greek,german]{babel}
+\usepackage[latin1]{inputenc}
+\usepackage[T1]{fontenc}
+\usepackage{amsmath}
+\usepackage{latexsym}
+\usepackage{ae}
+
+\usepackage{calc}               % Simple computations with LaTeX variables
+\usepackage{caption}            % Improved captions
+\usepackage{fancybox}           % To have several backgrounds
+
+\usepackage{fancyhdr}           % Headers and footers definitions
+\usepackage{fancyvrb}           % Fancy verbatim environments
+\usepackage{pstricks}           % PSTricks with the standard color package
+
+\usepackage{pstricks}
+\usepackage{pst-node}
+
+%\usepackage{epic}
+%\usepackage{eepic}
+
+\usepackage{graphicx}
+\graphicspath{{../img/}}
+
+\usepackage[setpagesize=false]{hyperref}
+
+\usepackage{semcolor}
+\usepackage{semlayer}           % Seminar overlays
+\usepackage{slidesec}           % Seminar sections and list of slides
+
+\input{seminar.bug}             % Official bugs corrections
+\input{seminar.bg2}             % Unofficial bugs corrections
+
+\articlemag{1}
+
+\special{landscape}
+
+% font
+%\usepackage{cmbright}
+%\renewcommand{\familydefault}{\sfdefault}
+%\usepackage{mathptmx}
+
+\usepackage{upgreek}
+
+\begin{document}
+
+\extraslideheight{10in}
+\slideframe{none}
+
+\pagestyle{empty}
+
+% specify width and height
+\slidewidth 27.7cm 
+\slideheight 19.1cm 
+
+% shift it into visual area properly
+\def\slideleftmargin{3.3cm}
+\def\slidetopmargin{0.6cm}
+
+\newcommand{\ham}{\mathcal{H}}
+\newcommand{\pot}{\mathcal{V}}
+\newcommand{\foo}{\mathcal{U}}
+\newcommand{\vir}{\mathcal{W}}
+
+% itemize level ii
+\renewcommand\labelitemii{{\color{gray}$\bullet$}}
+
+% colors
+\newrgbcolor{si-yellow}{.6 .6 0}
+\newrgbcolor{hb}{0.75 0.77 0.89}
+\newrgbcolor{lbb}{0.75 0.8 0.88}
+\newrgbcolor{lachs}{1.0 .93 .81}
+
+% topic
+
+\begin{slide}
+\begin{center}
+
+ \vspace{16pt}
+
+ {\LARGE\bf
+  Atomistic simulation study\\[0.2cm]
+  of the SiC precipitation in Si
+ }
+
+ \vspace{48pt}
+
+ \textsc{F. Zirkelbach}
+
+ \vspace{48pt}
+
+ For the exchange among Paderborn and Augsburg
+
+ \vspace{08pt}
+
+ June 2009
+
+\end{center}
+\end{slide}
+
+% start of contents
+
+\begin{slide}
+
+ {\large\bf
+  VASP parameters
+ }
+
+ \small
+ \begin{minipage}{6.5cm}
+ \begin{itemize}
+  \item Start from scratch
+  \item $V_{xc}$: US LDA (out of ./pot directory)
+  \item $k$-points: Monkhorst $4\times 4\times 4$
+  \item Ionic relaxation
+        \begin{itemize}
+         \item Conjugate gradient method
+         \item Scaling constant of 0.1 for forces
+         \item Default break condition ($0.1 \cdot 10^{-2}$ eV)
+         \item Maximum of 100 steps
+        \end{itemize}
+        {\color{blue} NVT}:
+        \begin{itemize}
+         \item No change in volume
+        \end{itemize}
+        {\color{red} NPT}:
+        \begin{itemize}
+         \item Change of cell volume and shape\\
+               allowed
+        \end{itemize}
+ \end{itemize}
+ \end{minipage}
+ \hspace*{0.5cm}
+ \begin{minipage}{6.0cm}
+{\scriptsize\color{blue}
+ Example INCAR file (NVT):
+}
+\begin{verbatim}
+System = C 100 interstitial in Si
+
+ISTART = 0
+
+NSW = 100
+IBRION = 2
+ISIF = 2
+POTIM = 0.1
+\end{verbatim}
+{\scriptsize\color{red}
+ Example INCAR file (NPT):
+}
+\begin{verbatim}
+System = C hexagonal interstitial in Si
+
+ISTART = 0
+
+NSW = 100
+IBRION = 2
+ISIF = 3
+POTIM = 0.1
+\end{verbatim}
+ \end{minipage}
+
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+  Silicon bulk properties
+ }
+
+ \small
+
+ Simulations (NPT, $\textrm{EDIFFG}=0.1\cdot 10^{-3}$ eV):
+ \begin{enumerate}
+  \item Supercell: $x_1=(0,0.5,0.5),\, x_2=(0.5,0,0.5),\, x_3=(0.5,0.5,0)$;
+        2 atoms (1 {\bf p}rimitive {\bf c}ell)
+  \item Supercell: $x_1=(0.5,-0.5,0),\, x_2=(0.5,0.5,0),\, x_3=(0,0,1)$;
+        4 atoms (2 pc)
+  \item Supercell: $x_1=(1,0,0),\, x_2=(0,1,0),\, x_3=(0,0,1)$;
+        8 atoms (4 pc)
+  \item Supercell: $x_1=(2,0,0),\, x_2=(0,2,0),\, x_3=(0,0,2)$;
+        64 atoms (32 pc)
+ \end{enumerate}
+ Cohesive energy / Lattice constant:
+ \begin{enumerate}
+  \item $E_{\textrm{cut-off}}=150\, \textrm{eV}$: 5.955 eV / 5.378 \AA\\
+        $E_{\textrm{cut-off}}=300\, \textrm{eV}$: 5.975 eV / 5.387 \AA
+  \item $E_{\textrm{cut-off}}=150\, \textrm{eV}$: 5.989 eV / 5.356 \AA
+  \item $E_{\textrm{cut-off}}=150\, \textrm{eV}$: 5.955 eV / 5.380 \AA\\
+        $E_{\textrm{cut-off}}=200\, \textrm{eV}$: 5.972 eV / 5.388 \AA\\
+        $E_{\textrm{cut-off}}=250\, \textrm{eV}$: 5.975 eV / 5.389 \AA\\
+        $E_{\textrm{cut-off}}=300\, \textrm{eV}$: 5.975 eV / 5.389 \AA\\
+        $E_{\textrm{cut-off}}=300\, \textrm{eV}^{*}$: 5.975 eV / 5.390 \AA
+  \item $E_{\textrm{cut-off}}=300\, \textrm{eV}$: 5.977 eV / 5.389 \AA
+ \end{enumerate}
+ 
+\end{slide}
+
+\begin{slide}
+
+ {\large\bf
+  Interstitial configurations
+ }
+
+ Silicon:
+ \begin{itemize}
+  \item Lattice constant:
+  \item Cohesive energy: 5.95 eV, 5.99 eV, 5.96 eV, 5.98 eV
+ \end{itemize}
+ 
+ <100> interstitial:
+ \begin{itemize}
+  \item Lattice constant:
+  \item Cohesive energy:
+ \end{itemize}
+
+ Hexagonal interstitial:
+ \begin{itemize}
+  \item Lattice constant:
+  \item Cohesive energy:
+ \end{itemize}
+
+\end{slide}
+
+\end{document}
+