\documentclass{standalone} \usepackage{graphicx,bm,microtype,hyperref,algpseudocode,subfigure,algorithm,algorithmicx,multirow,footnote,xcolor,physics,lipsum,wasysym,physics} \usepackage{tikz} \usetikzlibrary{arrows,positioning,shapes.geometric} \usetikzlibrary{decorations.pathmorphing} \tikzset{snake it/.style={ decoration={snake, amplitude = .4mm, segment length = 2mm},decorate} } %\usepackage{tgchorus} %\usepackage[T1]{fontenc} \begin{document} \begin{tikzpicture}[scale=2.3] \begin{scope}[very thick ,node distance=2cm,on grid,>=stealth' ,Op1/.style={circle,draw,fill=yellow!40} ,Ring1/.style={circle,draw,fill=red!40} ,Ring2/.style={circle,draw,fill=blue!40} ,Ring12/.style={circle,draw,fill=purple!40} ,Ring1Test/.style={diamond,draw,fill=red!40} ,Ring12Test/.style={diamond,draw,fill=purple!40} ,Output/.style={ellipse,draw,fill=orange!40} ,Input/.style={rectangle,draw,fill=green!40} ] \node [Input, align=center] (H) at (-3.052250,2.221211) { $\Psi^{(0)}$ }; \node [Op1, align=center] (He) at (-2.258396,0.948498) { Compute \\ one-$e$ \\ density }; \node [Op1, align=center] (Li) at (-0.793853,1.272713) { Compute \\ RS-DFT \\ Hamiltonian }; \node [Ring1, align=center] (Be) at (-0.000001,-0.000000) { CIPSI }; \node [Ring1, align=center] (B) at (-0.935138,-1.172476) { Compute \\ one-$e$ \\ density }; \node [Ring1, align=center] (C) at (-0.601539,-2.634910) { DIIS$_k$ }; \node [Ring1, align=center] (N) at (0.749849,-3.285870) { Compute \\ RS-DFT \\ Hamiltonian }; \node [Ring12, align=center] (O) at (2.101351,-2.635146) { Find \\ lowest \\ eigenvector }; \node [Ring2, align=center] (F) at (3.388986,-3.404559) { Compute \\ one-e \\ density}; \node [Ring2, align=center] (Ne) at (4.518642,-2.417707) { DIIS$_l$ }; \node [Ring2, align=center] (Na) at (3.929174,-1.038386) { Compute \\ RS-DFT \\ Hamiltonian }; \node [Ring12Test, align=center] (Mg) at (2.435205,-1.172771) { $\Delta E^{(k,l)} < \tau_2$ }; \node [Ring1Test, align=center] (Al) at (1.500000,0.000000) { $\Delta E^{(k)} < \tau_1$ }; \node [Input, align=center] (Si) at (2.250000,1.299038) { $\Psi^\mu$ }; \node [Output, align=center] (X1) at (-0.663664,2.334763) { $E^{(0)}$ }; \node [Output, align=center] (X2) at (0.633384,-4.349513) { $E^{(k)}$ }; \node [Output, align=center] (X3) at (4.716656,-0.313975) { $E^{(k,l)}$ }; \path (H) edge [->,color=black ] node [above,black] {} (He) (He) edge [->,color=black ] node [above,black] { $n^{(0)}$ } (Li) (Li) edge [->,color=black ] node [below,black,sloped,align=left] { $H^{\mu\,(k)}$ } node [above,black,sloped] { $k\leftarrow 0$ }(Be) (Be) edge [->,color=black ] node [above,sloped,black] { $\Psi^{\mu\,(k)}$ } (B) (Al) edge [->,color=black ] node [above,sloped,black] { no} (Be) (B) edge [->,color=black ] node [below,sloped,black] { $n^{(k)}$ } (C) (C) edge [->,color=black ] node [below,sloped,black] { $\tilde{n}^{(k)}$ } (N) (N) edge [->,color=black ] node [below,sloped,black] { $H^{\mu\,(k,l)}$ } node [above,sloped,black] { $l\leftarrow 0$ } (O) (O) edge [->,color=black ] node [below,sloped,black] { $\Psi^{\mu\,(k,l)}$ }(F) (F) edge [->,color=black ] node [below,sloped,black] { $n^{(k,l)}$ } (Ne) (Ne) edge [->,color=black ] node [above,sloped,black] { $\tilde{n}^{(k,l)}$ } (Na) (Na) edge [->,color=black ] node [above,sloped,black] { $E^{(k,l)}$ } (Mg) (Mg) edge [->,color=black ] node [right,black] { yes } (Al) (Mg) edge [->,color=black ] node [right,black] { no } (O) (Al) edge [->,color=black ] node [above,sloped,black] {yes} (Si) (Li) edge [->,color=black,snake it ] node [above,sloped,black] {} (X1) (N) edge [->,color=black,snake it ] node [above,sloped,black] {} (X2) (Na) edge [->,color=black,snake it ] node [above,sloped,black] {} (X3) ; %\node[arr] at (2.5,-1) %\node[arr] at (-1.,2) { $l\leftarrow l+1$ }; %\node[arr] at (-1.3,1.5) { $\tilde{H}^{(k,l)}$ }; %\node[tst] (n14) at (1,-4) %\node[arr] at (-4.,4.5) { $k\leftarrow k+1$ }; %\node[arr] at (-3.6,4) { $\tilde{H}^{(k)}$ }; %\node[arr] at (2.2,-5) %\node [Input, align=center] (In) [above=of G] {}; %\node [Output, align=center] (Out) [above=of Sigma] {}; %\node [Input, align=center] (In) [above=of G, yshift=1cm] {KS-DFT}; %\node [Output, align=center] (Out) [above=of Sigma, yshift=1cm] {BSE}; %\path %(G) edge [->,color=gray!50] node [above,sloped,black] {$\Gamma = 1 + \fdv{\Sigma}{G} GG \Gamma$} (Gamma) %(Gamma) edge [->,color=gray!50] node [below,sloped,black] {$P = - i GG \Gamma$} (P) %(P) edge [->,color=black] node [above,sloped,black] {$W = v + vPW$} (W) %(W) edge [->,color=black] node [above,sloped,black] {$\Sigma = i GW\Gamma$} (Sigma) %(Sigma) edge [->,color=black] node [above,sloped,black] {$G = G_\text{0} + G_\text{0} \Sigma G$} (G) %(G) edge [->,color=black] node [above,sloped,black] {$P = - i GG \quad (\Gamma = 1)$} (P) %(In) edge [->,color=black] node [above,sloped,black] {$\varepsilon^\text{KS}$} (G) %(Sigma) edge [->,color=black] node [above,sloped,black] {$W(\omega)$ \& $\varepsilon^\text{GW}$} (Out) %; \end{scope} \end{tikzpicture} \end{document} % Nodes