From: hackbard Date: Fri, 2 Oct 2009 14:15:17 +0000 (+0200) Subject: weekend checkin :) X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=af12eaf718e916786e3b13dbc5c4102ba47be15f;p=lectures%2Flatex.git weekend checkin :) --- diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex index 9b02f86..f9b5ae8 100644 --- a/posic/talks/upb-ua-xc.tex +++ b/posic/talks/upb-ua-xc.tex @@ -1747,7 +1747,20 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$ 435: 5.3476 - 0\newline 436: 5.5455 - 0\newline 437: 5.5652 - 0 - \end{minipage} + \end{minipage}\\[0.3cm] + \begin{itemize} + \item linear Si-C-Si bond + \item Each Si has another 3 Si neighbours + \end{itemize} + \begin{center} + {\color{blue}Spin polarized calculations necessary!}\\[0.3cm] + \end{center} + {\scriptsize Charge density isosurface of + {\color{gray}spin up}, {\color{green}spin down} and + the {\color{blue}resulting spin up} electrons.\\ + Two {\color{yellow} Si} atoms and one {\color{red}C} + atom are shown. + } \end{minipage} \begin{minipage}[t]{6.5cm} \underline{MO diagram}\\ @@ -1800,21 +1813,13 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$ \underline{${\color{green}\uparrow}$}\\ sp$^3$ \end{flushright} - \end{minipage} + \end{minipage}\\[0.4cm] + \begin{flushright} + \includegraphics[width=6cm]{c_100_mig_vasp/im_spin_diff.eps} + \end{flushright} \end{minipage} } - \vspace*{0.4cm} - - \begin{itemize} - \item linear Si-C-Si bond - \item Each Si has another 3 Si neighbours - \end{itemize} - - \begin{center} - {\color{blue}Spin polarized calculations necessary!} - \end{center} - \end{slide} \begin{slide} @@ -1978,12 +1983,15 @@ $z,x'$-axis rotation: $45.0^{\circ}$, $0.0^{\circ}$ } & \hkl<1 1 -1> & \hkl<2 2 0> & \hkl<3 3 -1> & \hkl<4 4 0>\\ \hline - \hkl<0 0 -1> & in progress\newline {\color{blue}6.23514} - & in progress\newline {\color{blue}4.65014} - & {\color{blue}5.97314} & {\color{blue}6.45714} \\ + \hkl<0 0 -1> & 6.23514\newline {\color{blue}6.23514} + & 4.65214\newline {\color{blue}4.65014} + & 5.97314\newline {\color{blue}5.97314} + & 6.45514\newline {\color{blue}6.45714} \\ \hline - \hkl<0 0 1> & in progress & in progress - & {\color{blue}6.53614} & in progress \\ + \hkl<0 0 1> & 6.65114\newline {\color{blue}6.65114} + & 4.78514\newline {\color{blue}4.78314} + & {\color{blue}6.53614} + & {\color{blue}6.18914} \\ \hline \hkl<1 0 0>, \hkl<0 1 0> & alkmene & TODO & TODO & TODO\\ \hline