PTEROSOR/QuAcK
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mirror of https://github.com/pfloos/quack synced 2025-05-07 07:35:02 +02:00
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undid sign change

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This commit is contained in:
Loris Burth 2025-03-27 10:58:47 +01:00
parent da65737cc0
commit a8d89aa933
4 changed files with 4 additions and 4 deletions
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2
src/GF/cRGF2_QP_graph.f90
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@ -65,7 +65,7 @@ subroutine cRGF2_QP_graph(eta,nBas,nC,nO,nV,nR,eHF,e_cap,ERI,Re_eGFlin,Im_eGFlin
Re_f = Re_w - eHF(p) - Re_SigC
Im_f = Im_w - e_cap(p) - Im_SigC
Re_df = (1d0 - Re_dSigC)/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Im_df = -Im_dSigC/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Im_df = Im_dSigC/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Re_w = Re_w - Re_df*Re_f + Im_df*Im_f
Im_w = Im_w - Re_f*Im_df - Re_df*Im_f

2
src/GF/cRGF2_self_energy_diag.f90
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@ -82,6 +82,6 @@ subroutine cRGF2_self_energy_diag(eta,nBas,nC,nO,nV,nR,e,ERI,Re_SigC,Im_SigC,Re_
end do
end do
Re_Z(:) = (1d0-Re_DS(:))/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
Im_Z(:) = -Im_DS(:)/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
Im_Z(:) = Im_DS(:)/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
deallocate(Re_DS,Im_DS)
end subroutine

2
src/GW/cRGW_QP_graph.f90
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@ -76,7 +76,7 @@ subroutine cRGW_QP_graph(doSRG,eta,flow,nBas,nC,nO,nV,nR,nS,eHF,e_cap,Om,rho,Re_
Re_f = Re_w - eHF(p) - Re_SigC
Im_f = Im_w - e_cap(p) - Im_SigC
Re_df = (1d0 - Re_dSigC)/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Im_df = -Im_dSigC/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Im_df = Im_dSigC/((1d0 - Re_dSigC)**2 + Im_dSigC**2)
Re_w = Re_w - Re_df*Re_f + Im_df*Im_f
Im_w = Im_w - Re_f*Im_df - Re_df*Im_f

2
src/GW/cRGW_self_energy_diag.f90
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@ -97,6 +97,6 @@ subroutine cRGW_self_energy_diag(eta,nBas,nOrb,nC,nO,nV,nR,nS,e,Om,rho,EcGM,Re_S
! Compute renormalization factor from derivative
Re_Z(:) = (1d0-Re_DS(:))/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
Im_Z(:) = -Im_DS(:)/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
Im_Z(:) = Im_DS(:)/((1d0 - Re_DS(:))**2 + Im_DS(:)**2)
deallocate(Re_DS,Im_DS)
end subroutine