From 940544b16f3aa4c799932e2c42c493e671f119fc Mon Sep 17 00:00:00 2001 From: pfloos Date: Thu, 8 Feb 2024 23:04:27 +0100 Subject: [PATCH] save GWC --- src/GW/RGWC.f90 | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/src/GW/RGWC.f90 b/src/GW/RGWC.f90 index 828c6f8..1c7f8da 100644 --- a/src/GW/RGWC.f90 +++ b/src/GW/RGWC.f90 @@ -212,14 +212,13 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z) do g=1,nGrid do p=nC+1,nBas-nR - ReSigC(p,g) = GW_ReSigC(p,eQP(p),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) ImSigC(p,g) = GW_ImSigC(p,eQP(p),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) end do end do do g=1,nGrid do p=nC+1,nBas-nR - AGWC(p,g) = ZQP(p)*abs(ImSigC(p,g))/((w(g) - eQP(p))**2 + ImSigC(p,g)**2) + AGWC(p,g) = abs(ImSigC(p,g))/((w(g) - eQP(p))**2 + ImSigC(p,g)**2) end do end do @@ -248,9 +247,8 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z) ! do p=nC+1,nBas-nR do i=nC+1,nO do m=1,maxS - ReSigC(p,g) = GW_ReSigC(p,eSat(p,i,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) ImSigC(p,g) = GW_ImSigC(p,eSat(p,i,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) - AGWC(p,g) = AGWC(p,g) + ZSat(p,i,m)*abs(ImSigC(p,g))/((w(g) - eSat(p,i,m))**2 + ImSigC(p,g)**2) + AGWC(p,g) = AGWC(p,g) + ZSat(p,i,m)/ZQP(p)*abs(ImSigC(p,g))/((w(g) - eSat(p,i,m))**2 + ImSigC(p,g)**2) end do end do end do @@ -264,7 +262,6 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z) do p=nC+1,nBas-nR do a=nO+1,nBas-nR do m=1,maxS - ReSigC(p,g) = GW_ReSigC(p,eSat(p,a,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) ImSigC(p,g) = GW_ImSigC(p,eSat(p,a,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho) AGWC(p,g) = AGWC(p,g) + ZSat(p,a,m)*abs(ImSigC(p,g))/((w(g) - eSat(p,a,m))**2 + ImSigC(p,g)**2) end do