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https://github.com/pfloos/quack
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save GWC
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@ -212,14 +212,13 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z)
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do g=1,nGrid
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do p=nC+1,nBas-nR
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ReSigC(p,g) = GW_ReSigC(p,eQP(p),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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ImSigC(p,g) = GW_ImSigC(p,eQP(p),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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end do
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end do
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do g=1,nGrid
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do p=nC+1,nBas-nR
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AGWC(p,g) = ZQP(p)*abs(ImSigC(p,g))/((w(g) - eQP(p))**2 + ImSigC(p,g)**2)
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AGWC(p,g) = abs(ImSigC(p,g))/((w(g) - eQP(p))**2 + ImSigC(p,g)**2)
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end do
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end do
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@ -248,9 +247,8 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z)
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! do p=nC+1,nBas-nR
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do i=nC+1,nO
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do m=1,maxS
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ReSigC(p,g) = GW_ReSigC(p,eSat(p,i,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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ImSigC(p,g) = GW_ImSigC(p,eSat(p,i,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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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)
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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)
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end do
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end do
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end do
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@ -264,7 +262,6 @@ subroutine RGWC(dotest,eta,nBas,nC,nO,nV,nR,nS,Om,rho,eHF,e,eGW,Z)
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do p=nC+1,nBas-nR
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do a=nO+1,nBas-nR
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do m=1,maxS
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ReSigC(p,g) = GW_ReSigC(p,eSat(p,a,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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ImSigC(p,g) = GW_ImSigC(p,eSat(p,a,m),eta,nBas,nC,nO,nV,nR,nS,eHF,Om,rho)
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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)
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end do
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