From 7b06e8ea50143187b1790328e1765fb5abd2b3e9 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Tue, 18 Jul 2023 15:07:07 +0200
Subject: [PATCH] fix bug in dSigmaC

---
 input/methods      |  4 ++--
 src/GW/dSigmaC.f90 | 10 +++++-----
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/input/methods b/input/methods
index 6afd5a5..52fde72 100644
--- a/input/methods
+++ b/input/methods
@@ -9,11 +9,11 @@
 # CIS* CIS(D) CID CISD FCI
   F    F      F   F    F
 # phRPA* phRPAx* crRPA ppRPA 
-  F      F       T     F 
+  F      F       F     F 
 # G0F2* evGF2* qsGF2* G0F3 evGF3
   F     F      F      F    F
 # G0W0* evGW* qsGW* SRG-qsGW ufG0W0 ufGW
-  F     F     F     F        F      F
+  T     T     T     F        F      F
 # G0T0pp evGTpp qsGTpp G0T0eh evGTeh qsGTeh
   F      F      F      F      F      F
 # * unrestricted version available
diff --git a/src/GW/dSigmaC.f90 b/src/GW/dSigmaC.f90
index f0b902d..ef28b58 100644
--- a/src/GW/dSigmaC.f90
+++ b/src/GW/dSigmaC.f90
@@ -1,4 +1,4 @@
-double precision function dSigmaC(x,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regularize)
+double precision function dSigmaC(p,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regularize)
 
 ! Compute the derivative of the correlation part of the self-energy
 
@@ -7,7 +7,7 @@ double precision function dSigmaC(x,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regula
 
 ! Input variables
 
-  integer,intent(in)            :: x
+  integer,intent(in)            :: p
   double precision,intent(in)   :: w
   double precision,intent(in)   :: eta
   integer,intent(in)            :: nBas
@@ -23,7 +23,7 @@ double precision function dSigmaC(x,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regula
 
 ! Local variables
 
-  integer                       :: i,j,a,b,p,jb
+  integer                       :: i,j,a,b,jb
   double precision              :: eps
   double precision              :: Dpijb,Dpajb
 
@@ -57,7 +57,7 @@ double precision function dSigmaC(x,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regula
            do b=nO+1,nBas-nR
               jb = jb + 1
               eps = w - e(i) + Omega(jb)
-              dSigmaC = dSigmaC - 2d0*rho(x,i,jb)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
+              dSigmaC = dSigmaC - 2d0*rho(p,i,jb)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
            enddo
         enddo
      enddo
@@ -69,7 +69,7 @@ double precision function dSigmaC(x,w,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,regula
            do b=nO+1,nBas-nR
               jb = jb + 1
               eps = w - e(a) - Omega(jb)
-              dSigmaC = dSigmaC - 2d0*rho(x,a,jb)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
+              dSigmaC = dSigmaC - 2d0*rho(p,a,jb)**2*(eps**2 - eta**2)/(eps**2 + eta**2)**2
            enddo
         enddo
      enddo