From 665f494dd5da55aac4bec0cb76165fd86dc37f84 Mon Sep 17 00:00:00 2001
From: pfloos <pierrefrancois.loos@gmail.com>
Date: Mon, 2 Oct 2023 21:45:02 +0200
Subject: [PATCH] fix QP graph everywhere

---
 input/methods            | 4 ++--
 src/GF/G0F2.f90          | 2 +-
 src/GF/GF2_QP_graph.f90  | 7 ++++---
 src/GF/evGF2.f90         | 2 +-
 src/GT/GTeh_QP_graph.f90 | 1 -
 5 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/input/methods b/input/methods
index 8706d7f..6f03458 100644
--- a/input/methods
+++ b/input/methods
@@ -11,9 +11,9 @@
 # phRPA* phRPAx* crRPA ppRPA 
   F      F       F     F 
 # G0F2* evGF2* qsGF2* G0F3 evGF3
-  F     F      F      F    F
+  T     F      F      F    F
 # G0W0* evGW* qsGW* SRG-qsGW ufG0W0 ufGW
-  T     T     F     F        F      F
+  F     F     F     F        F      F
 # G0T0pp* evGTpp* qsGTpp* G0T0eh evGTeh qsGTeh
   F       F       F       F      F      F
 # * unrestricted version available
diff --git a/src/GF/G0F2.f90 b/src/GF/G0F2.f90
index cca8790..bfc0c6f 100644
--- a/src/GF/G0F2.f90
+++ b/src/GF/G0F2.f90
@@ -76,7 +76,7 @@ subroutine G0F2(dophBSE,doppBSE,TDA,dBSE,dTDA,singlet,triplet,linearize,eta,regu
     write(*,*) ' *** Quasiparticle energies obtained by root search (experimental) *** '
     write(*,*)
 
-    call GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eGF,Z)
+    call GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eHF,eGF,Z)
 
   end if
 
diff --git a/src/GF/GF2_QP_graph.f90 b/src/GF/GF2_QP_graph.f90
index defb9e6..10126fc 100644
--- a/src/GF/GF2_QP_graph.f90
+++ b/src/GF/GF2_QP_graph.f90
@@ -1,4 +1,4 @@
-subroutine GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eGF,Z)
+subroutine GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eOld,eGF,Z)
 
 ! Compute the graphical solution of the GF2 QP equation
 
@@ -15,6 +15,7 @@ subroutine GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eGF,Z)
   integer,intent(in)            :: nR
   double precision,intent(in)   :: eHF(nBas)
   double precision,intent(in)   :: eGFlin(nBas)
+  double precision,intent(in)   :: eOld(nBas)
   double precision,intent(in)   :: ERI(nBas,nBas,nBas,nBas)
 
 ! Local variables
@@ -49,8 +50,8 @@ subroutine GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eGFlin,eGF,Z)
     
       nIt = nIt + 1
 
-      SigC  = GF2_SigC(p,w,eta,nBas,nC,nO,nV,nR,eHF,ERI)
-      dSigC = GF2_dSigC(p,w,eta,nBas,nC,nO,nV,nR,eHF,ERI)
+      SigC  = GF2_SigC(p,w,eta,nBas,nC,nO,nV,nR,eOld,ERI)
+      dSigC = GF2_dSigC(p,w,eta,nBas,nC,nO,nV,nR,eOld,ERI)
       f  = w - eHF(p) - SigC
       df = 1d0/(1d0 - dSigC)
     
diff --git a/src/GF/evGF2.f90 b/src/GF/evGF2.f90
index ca68ad1..6984f13 100644
--- a/src/GF/evGF2.f90
+++ b/src/GF/evGF2.f90
@@ -99,7 +99,7 @@ subroutine evGF2(dophBSE,doppBSE,TDA,dBSE,dTDA,maxSCF,thresh,max_diis,singlet,tr
       write(*,*) ' *** Quasiparticle energies obtained by root search (experimental) *** '
       write(*,*)
  
-      call GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eOld,eGF,Z)
+      call GF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,ERI,eOld,eOld,eGF,Z)
  
     end if
 
diff --git a/src/GT/GTeh_QP_graph.f90 b/src/GT/GTeh_QP_graph.f90
index 14a7c09..25cd38a 100644
--- a/src/GT/GTeh_QP_graph.f90
+++ b/src/GT/GTeh_QP_graph.f90
@@ -1,6 +1,5 @@
 subroutine GTeh_QP_graph(eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rhoL,rhoR,eGTlin,eOld,eGT,Z)
 
-
 ! Compute the graphical solution of the QP equation
 
   implicit none