From 634e0ecf09b4fbfffb004a6c216db8cec676af0a Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Mon, 29 Apr 2019 09:54:36 +0200
Subject: [PATCH] fix bug in GF3

---
 input/methods          | 2 +-
 src/QuAcK/GF3_diag.f90 | 8 ++++----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/input/methods b/input/methods
index cbab5bc..fd7a88f 100644
--- a/input/methods
+++ b/input/methods
@@ -7,7 +7,7 @@
 # CIS TDHF ADC
   F   F    F
 # GF2 GF3
-  T   F
+  T   T
 # G0W0 evGW qsGW
   T    F    F
 # MCMP2
diff --git a/src/QuAcK/GF3_diag.f90 b/src/QuAcK/GF3_diag.f90
index 6f5b7cd..67ad523 100644
--- a/src/QuAcK/GF3_diag.f90
+++ b/src/QuAcK/GF3_diag.f90
@@ -453,6 +453,10 @@
 
     Conv = maxval(abs(eGF3 - eOld))
 
+    ! Print results
+
+    call print_GF3(nBas,nO,nSCF,Conv,e0,Z,eGF3)
+
     ! DIIS extrapolation
 
     n_diis = min(n_diis+1,max_diis)
@@ -464,10 +468,6 @@
 
     eOld(:) = eGF3(:)
 
-    ! Print results
-
-    call print_GF3(nBas,nO,nSCF,Conv,e0,Z,eGF3)
-
     ! Increment
 
     nSCF = nSCF + 1