finalized 01

Signed-off-by: Nick Papior <nickpapior@gmail.com>

Author: zerothi

presentations/01/device.tex

@@ -0,0 +1,69 @@
+
+\subsection{NEGF Algorithm in TBtrans}
+
+\begin{frame}[fragile,label=algorithm]
+  \frametitle{Input options}
+  \framesubtitle{NEGF Algorithm in TBtrans}
+  
+  \begin{itemize}
+    \item Reduce Green function calculation to region of interest ($D$)
+    
+    \item Algorithms determined from user-requested quantities
+    
+  \end{itemize}
+
+  \vskip 4em
+
+  \begin{itemize}
+    \item Algorithm:
+  \end{itemize}
+  \begin{center}
+    \incg[]{tbt-algorithm}
+  \end{center}
+
+  \begin{tikzpicture}[remember picture,overlay]
+    \node at ($(current page.center)+(2.5,1.7)$) {%
+        \incg[width=.7\linewidth]{inv-block3}%
+    };
+  \end{tikzpicture}
+
+  \doicite{Papior \etal: \doi{10.1016/j.cpc.2016.09.022}}
+
+  \hfill\hyperlink{electrode<6>}{\beamergotobutton{Return to electrode-setup}}
+
+\end{frame}
+
+\begin{frame}
+  \frametitle{Input options}
+  \framesubtitle{NEGF Algorithm in TBtrans}
+
+  \begin{itemize}[<+->]
+    \item Define $D$ via input
+    
+    \begin{tikzpicture}[thick,fixed node]
+      
+      % Define the electrode and we are done
+      \begin{scope}
+        \matrix {
+            \node[fdf] {\%block TBT.Atoms.Device}; \\
+            \node[fdf,ind] {atom [ 1 -- 3 ]}; \\
+            \node[fdf,ind] {atom 5 11}; \\
+            \node[fdf,ind] {atom -19}; \\
+            \node[fdf] {\%endblock}; \\
+        };
+      \end{scope}
+    \end{tikzpicture}
+    
+    \item TBtrans does everything else by it-self
+    \item A smaller device region drastically reduces required memory(!), and increases
+    throughput
+
+    \item In non-orthogonal basis ($\SO\neq \mathbf I$) \fdf{TBT.Atoms.Device.Connect} may
+    be useful
+
+  \end{itemize}
+
+  \incg[]{tbt-algorithm}
+  
+\end{frame}
+

presentations/01/electrodes.tex

@@ -400,6 +400,7 @@ \subsection{Electrodes}
         \draw (0,-.5) rectangle ++(3,2);
         \node[below] at (1,-.5) {$R_3$};
         \draw[densely dashed] (3,-.5) rectangle ++(3,2);
+        \draw[->] (6.5, 0) -- node[right] {transport} ++(0,1);
 
         \node[above] at (1.5,1.5) {\color{blue!60!black}\emph{device region electrode}};
         \only<1-2>{

presentations/01/green.tex

@@ -135,6 +135,33 @@ \subsection{Rules of integration}
       E_{\kk+\delta\kk}\approx \eta$. Otherwise band features will not be captured.
 
     \end{itemize}
+
+  \end{block}
+
+  \begin{block}<3->{Difference between diagonalisation and Green function methods}
+
+    \begin{columns}[t]
+      \column{.5\linewidth}
+
+      \begin{center}
+        Diagonalization
+
+        \Large 1D-sampling
+      \end{center}
+
+      $k$-points, all energy-eigenvalues
+
+      \column{.5\linewidth}
+
+      \begin{center}
+        Green functions
+
+        \Large 2D-sampling
+      \end{center}
+
+      $k$-point and $E$-points are both required to be sampled
+
+    \end{columns}
 
   \end{block}
 
@@ -164,6 +191,7 @@ \subsection{Advancing to Non-Equilibrium Green Function}
 
       \item%
       $\SE$ is the \emph{self-energy} which is describing semi-infinite directions
+      (integrating out $k$ in that direction)
 
     \begin{center}
 

presentations/01/negf.tex

@@ -277,41 +277,6 @@ \subsection{Transmission}
 \end{frame}
 
 
-\subsection{NEGF Algorithm in TBtrans}
-
-\begin{frame}[fragile,label=algorithm]
-  \frametitle{Non-equilibrium Green function}
-  \framesubtitle{Calculation of physical quantities}
-  
-  \begin{itemize}
-    \item Reduce Green function calculation to region of interest ($D$)
-    
-    \item Algorithms determined from user-requested quantities
-    
-  \end{itemize}
-
-  \vskip 4em
-
-  \begin{itemize}
-    \item Algorithm:
-  \end{itemize}
-  \begin{center}
-    \incg[]{tbt-algorithm}
-  \end{center}
-
-  \begin{tikzpicture}[remember picture,overlay]
-    \node at ($(current page.center)+(2.5,1.7)$) {%
-        \incg[width=.7\linewidth]{inv-block3}%
-    };
-  \end{tikzpicture}
-
-  \doicite{Papior \etal: \doi{10.1016/j.cpc.2016.09.022}}
-
-  \hfill\hyperlink{electrode<6>}{\beamergotobutton{Return to electrode-setup}}
-
-\end{frame}
-
-
 
 %%% Local Variables:
 %%% mode: latex

presentations/01/se.tex

@@ -14,7 +14,7 @@ \subsection{The concept}
   \begin{block}{Self-energies -- perturb the Hamiltonian}
 
     \begin{itemize}[<+->]
-      \item A self-energy \emph{renormalises} of the Hamiltonian
+      \item A self-energy \emph{renormalises} the Hamiltonian
       \begin{equation*}
         \HH' = \HH + \SE
       \end{equation*}
@@ -77,7 +77,10 @@ \subsection{Bulk self-energy requirements}
   \begin{center}
     \def\mysize{6pt}
     \begin{tikzpicture}
-      \node[font=\large] at (-4,.5) {\alert<2->{a)}};
+      \only<2->{
+          \fill[red,opacity=.5] (-3,-.6) rectangle ++(9, 2.5);
+      }
+      \node[font=\large] at (-4,.5) {a)};
       \path (-3,-.5) rectangle ++(3,1);
       \path (3,-.5) rectangle ++(3,1);
       \draw[densely dashed] (-2,-.5) rectangle ++(1,1);
@@ -141,6 +144,7 @@ \subsection{Bulk self-energy requirements}
 
 \end{frame}
 
+
 \begin{frame}
   \frametitle{Self-energy}
   \framesubtitle{Semi-infinity -- rules}
@@ -222,8 +226,8 @@ \subsection{Bulk self-energy requirements}
     \vspace{-12pt}
 
     \begin{itemize}
-      \item<+-> Remember that $\SE_{-/+}$ is a correction to the Hamiltonian (i.e. $\HH =
-      \HH + \SE$)
+      \item<+-> Remember that $\SE_{-/+}$ is a correction to the Hamiltonian (i.e.
+      $\HH' = \HH + \SE$)
     \end{itemize}
   \end{block}
 

presentations/01/talk.tex

@@ -31,5 +31,6 @@
 \input negf.tex
 \input options.tex
 \input electrodes.tex
+\input device.tex
 
 \end{document}