primitive_workflow.tex

\begin{tikzpicture}[font=\tiny, x=3.5cm, y=1cm]
   \begin{pgfonlayer}{background}
      \fill [seaborn_bg_grey_dark] (-2.2,-1) rectangle (1.2,1.5);
      \node at (-2.2, 1.5) [default_text] {\large Initialisation};
      \fill [seaborn_bg_grey_dark] (1.3,-1) rectangle (3.7,1.5);
      \node at (1.3, 1.5) [default_text] {\large Calculating screening parameters};
      \fill [seaborn_bg_grey_dark] (3.8,-1) rectangle (5.2,1.5);
      \node at (3.8, 1.5) [default_text, text width=3.5cm] {\large Final calculation};
      % \fill [seaborn_bg_grey_dark] (8.1,-1) rectangle (9.1,1.5);
      % \node at (8.1, 1.5) [default_text, text width=3.5cm] {\large Postprocessing};
   \end{pgfonlayer}

   % Key
   \node at (3.45, 2.15) [pw, text width=1.4cm, minimum height=0.7cm] {\texttt{pw}};
   \node at (3.95, 2.15) [wannier90, text width=1.4cm, minimum height=0.7cm] {\texttt{wannier90}};
   \node at (4.45, 2.15) [bespoke, text width=1.4cm, minimum height=0.7cm, font=\tiny] {bespoke code};
   \node at (4.95, 2.15) [observable, text width=1.4cm, minimum height=0.7cm, font=\tiny] {quantity of interest};

   % Initialisation
   % Solids
   \node at (-1.5, 0) [pw] (pw PBE init) {PBE};
   \node at (-0.5, 0) [wannier90] (wannierize) {wannierize};
   \node at (0.5, 0) [observable] (unfold) {$\{\ket{w_i}\}$};
   \path [line] (pw PBE init) -- (wannierize);
   \path [line] (wannierize) -- (unfold);

   % Calculating screening parameters
   \node at (2, 0) [bespoke] (KC screen) {DFPT calculation};
   \node at (3, 0) [observable] (alphas) {$\{\alpha_i\}$};
   \path [line] (unfold) -- (KC screen);
   \path [line] (KC screen) -- (alphas);

   % Final calc
   \node at (4.5, 0) [bespoke] (KC ham) {$\alpha_0$KI/$\alpha_0$KIPZ};
   \path [line] (alphas) -- (KC ham);

   % \onslide<4->{
   %    \node at (1, 0) [default_text, fill=white, opacity=0.9, text opacity=1, anchor=center, minimum height=5cm, text width=7cm, execute at begin node=\setlength{\baselineskip}{30pt}] (nc text) {
   %       \huge Nicola Colonna
   %       \textbf{A20.00002} /
   %       paper in preparation
   %    };
   %    \node[right = -0.2cm of nc text, anchor=west]{\includegraphics[height=5cm]{figures/nicola_colonna.png}};
   % }
    % \onslide<4->{
    %   \fill [seaborn_bg_grey_dark,opacity=0.8] (1.3,-1) rectangle (3.7,1.5);
    %   \node at (2.5, 0) [cp, fill=seaborn_yellow, font=\Huge, inner sep=10pt] (ml) {ML model};
    %   \path [headless_line] (unfold) -- (ml);
    %   \path [line] (ml) -- (KC ham);
    % }
\end{tikzpicture}