X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic%2Ftalks%2Fupb-ua-xc.tex;h=d277beb1202a4341713413b05c8350f106bb2d41;hb=2784e1e2cf893049ad17688164799d4ca2f1dc42;hp=a3d1048f9c5eadf272cfff136966e1de6a1c37fb;hpb=200984a06c22985aa9403bd9950934430d770906;p=lectures%2Flatex.git

diff --git a/posic/talks/upb-ua-xc.tex b/posic/talks/upb-ua-xc.tex
index a3d1048..d277beb 100644
--- a/posic/talks/upb-ua-xc.tex
+++ b/posic/talks/upb-ua-xc.tex
@@ -185,6 +185,7 @@ POTIM = 0.1
   \item Supercell: $x_1=(2,0,0),\, x_2=(0,2,0),\, x_3=(0,0,2)$;
         64 atoms (32 pc)
  \end{enumerate}
+ \begin{minipage}{6cm}
  Cohesive energy / Lattice constant:
  \begin{enumerate}
   \item $E_{\textrm{cut-off}}=150\, \textrm{eV}$: 5.955 eV / 5.378 \AA\\
@@ -197,31 +198,48 @@ POTIM = 0.1
         $E_{\textrm{cut-off}}=300\, \textrm{eV}^{*}$: 5.975 eV / 5.390 \AA
   \item $E_{\textrm{cut-off}}=300\, \textrm{eV}$: 5.977 eV / 5.389 \AA
  \end{enumerate}
+ \end{minipage}
+ \begin{minipage}{7cm}
+ \includegraphics[width=7cm]{si_lc_and_ce.ps}
+ \end{minipage}\\[0.3cm]
+ {\scriptsize
+  $^*$special settings (p. 138, VASP manual):
+  spin polarization, no symmetry, ...
+ }
  
 \end{slide}
 
+\begin{slide}
+
+ {\large\bf
+  Silicon bulk properties
+ }
+
+ \begin{minipage}{6.5cm}
+ \includegraphics[width=6.5cm]{si_lc_fit.ps}
+ \end{minipage}
+ \begin{minipage}{6.5cm}
+ \includegraphics[width=6.5cm]{si_lc_fit_250.ps}
+ \end{minipage}
+
+\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:
+  \item
+  \item
  \end{itemize}
 
  Hexagonal interstitial:
  \begin{itemize}
-  \item Lattice constant:
-  \item Cohesive energy:
+  \item
+  \item
  \end{itemize}
 
 \end{slide}