From 955c9513085377723aac7ce8f524d41dded97a55 Mon Sep 17 00:00:00 2001 From: pfloos Date: Thu, 9 Mar 2023 21:57:53 +0100 Subject: [PATCH] renaming figures --- Manuscript/SRGGW.tex | 8 ++++---- Manuscript/{flow.pdf => TOC.pdf} | Bin Manuscript/fig1.pdf | Bin 0 -> 73237 bytes 3 files changed, 4 insertions(+), 4 deletions(-) rename Manuscript/{flow.pdf => TOC.pdf} (100%) create mode 100644 Manuscript/fig1.pdf diff --git a/Manuscript/SRGGW.tex b/Manuscript/SRGGW.tex index c815cd8..784fbb2 100644 --- a/Manuscript/SRGGW.tex +++ b/Manuscript/SRGGW.tex @@ -85,7 +85,7 @@ The SRG formalism enables us to derive, from first principles, the expression of The resulting SRG-based regularized self-energy significantly accelerates the convergence of qs$GW$ calculations, slightly improves the overall accuracy, and is straightforward to implement in existing code. \bigskip \begin{center} - \boxed{\includegraphics[width=0.5\linewidth]{flow}} + \boxed{\includegraphics[width=0.5\linewidth]{TOC}} \end{center} \bigskip \end{abstract} @@ -554,7 +554,7 @@ which can be solved by simple integration along with the initial condition $\bF^ %%% FIG 1 %%% \begin{figure} \centering - \includegraphics[width=\linewidth]{flow} + \includegraphics[width=\linewidth]{fig1} \caption{ Schematic evolution of the quasiparticle equation as a function of the flow parameter $s$ in the case of the dynamic SRG-$GW$ flow (magenta) and the static SRG-qs$GW$ flow (cyan). \label{fig:flow}} @@ -718,7 +718,7 @@ The denominators of the 2p1h term are positive while the denominators associated As $s$ increases, the first states that decouple from the HOMO are the 2p1h configurations because their energy difference with respect to the HOMO is larger than the ones associated with the 2h1p block. Therefore, for small $s$, only the last term of Eq.~\eqref{eq:2nd_order_IP} is partially included, resulting in a positive correction to the IP. -As soon as $s$ is large enough to decouple the 2h1p block, the IP starts decreasing and eventually goes below the $s=0$ initial value as observed in Fig.~\ref{fig:fig3}. +As soon as $s$ is large enough to decouple the 2h1p block, the IP starts decreasing and eventually goes below the initial value at $s=0$, as observed in Fig.~\ref{fig:fig3}. %\ANT{I don't know if we should remove this paragraph and the TDA curves in Fig 3 and 4 or not...} %In addition, the qs$GW$ and SRG-qs$GW$ methods based on a TDA screening (dubbed qs$GW^\TDA$ and SRG-qs$GW^\TDA$) are also considered in Fig.~\ref{fig:fig3}. @@ -882,7 +882,7 @@ These convergence problems are much more dramatic than for SRG-qs$GW$ because th For example, out of the 37 molecules that could be converged for $\eta=\num{e-2}$, the variation of the IP with respect to $\eta=\num{5e-2}$ can go up to \SI{0.1}{\eV}. This difference in behavior is due to the energy (in)dependence of the regularizers. -Indeed, the SRG regularizer first includes the terms that are \ant{contributing to} the energy and finally adds the intruder states. +Indeed, the SRG regularizer first includes the terms that are \titou{contributing to} the energy and finally adds the intruder states. On the other hand, the imaginary shift regularizer acts equivalently on all terms. %%% FIG 7 %%% diff --git a/Manuscript/flow.pdf b/Manuscript/TOC.pdf similarity index 100% rename from Manuscript/flow.pdf rename to Manuscript/TOC.pdf diff --git a/Manuscript/fig1.pdf b/Manuscript/fig1.pdf new file mode 100644 index 0000000000000000000000000000000000000000..4bcb4037cc5e94f6ac74989fa7e357d25d073a19 GIT binary patch literal 73237 zcma&NL#!}N(5QKA+qP}nwr$(CZQJKPwr$(C?fLFx{>dbB7q=IcuGFp<^>kOBCRGp- zqh+LHg(96_9$ANCBVZt~H?o4_;en!;F|{*yu^?dNWMm}xzZVp}n5B)2sS^Rcn2n)} zsfekuy@@FlA0L#ni<7CLEtJRRisqEv4jaPG7xlVsj1Z0f5O|aw6bo3ADmJigi6%yz zc6)4cnIq!!owpbYrPQJC2ID+X?`jJRiTP~z?6}l7SxP&HGI$+UU+TP2a!h2%f)Xdv zn!7nZs0rOLg-2P5Y~rx_K-)(o3?;=3d&)4_`*tLAZEZ6n2K%lD`K%u5hgX!-;ui@R zF3HpZ4sY$5{MXN?9E~f5H_Rr5ZjB~C?(gZd=ojb4z04a~gzc)GHJh3ZuG z6<)1geJB`4*tlWWus)tYEp{&^t9KWJ9ye{U>!d1#QpzmI9X148!o_(Bq4_11F@O%l zEPbGMv2jc~o5CZkSbepgR(JoIJ0pf<$-neeEozWA+&!g*2H83h1t9c#WlFW|(e 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