From: hackbard Date: Mon, 14 Sep 2009 16:11:23 +0000 (+0200) Subject: ice a->pb :) X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=c782b5203ecd1924f4a428b428f301f91cadc828;p=lectures%2Flatex.git ice a->pb :) --- diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex index 2a97615..2e8d15b 100644 --- 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}