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looking for wrong sign
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@ -55,6 +55,7 @@ subroutine GW_ppBSE_dynamic_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,eG
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cd = cd + 1
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cd = cd + 1
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do m=1,nS
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do m=1,nS
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dem = OmBSE - eGW(c) - Om(m) - eGW(b)
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dem = OmBSE - eGW(c) - Om(m) - eGW(b)
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num = rho(a,c,m)*rho(b,d,m)
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num = rho(a,c,m)*rho(b,d,m)
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@ -79,10 +80,10 @@ subroutine GW_ppBSE_dynamic_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,eG
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KC_dyn(ab,cd) = KC_dyn(ab,cd) + num*dem/(dem**2 + eta**2)
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KC_dyn(ab,cd) = KC_dyn(ab,cd) + num*dem/(dem**2 + eta**2)
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ZC_dyn(ab,cd) = ZC_dyn(ab,cd) - num*(dem**2 - eta**2)/(dem**2 + eta**2)**2
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ZC_dyn(ab,cd) = ZC_dyn(ab,cd) - num*(dem**2 - eta**2)/(dem**2 + eta**2)**2
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end do
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end do
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KC_dyn(ab,cd) = 2d0*KC_dyn(ab,cd)/sqrt((1d0 + Kronecker_delta(a,b))*(1d0 + Kronecker_delta(c,d)))
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KC_dyn(ab,cd) = 2d0*KC_dyn(ab,cd)/sqrt((1d0 + Kronecker_delta(a,b))*(1d0 + Kronecker_delta(c,d)))
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ZC_dyn(ab,cd) = 2d0*ZC_dyn(ab,cd)/sqrt((1d0 + Kronecker_delta(a,b))*(1d0 + Kronecker_delta(c,d)))
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ZC_dyn(ab,cd) = 2d0*ZC_dyn(ab,cd)/sqrt((1d0 + Kronecker_delta(a,b))*(1d0 + Kronecker_delta(c,d)))
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end do
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end do
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end do
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end do
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@ -41,7 +41,7 @@ subroutine GW_ppBSE_dynamic_perturbation(ispin,dTDA,eta,nBas,nC,nO,nV,nR,nS,nOO,
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integer :: ab,ij,kl
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integer :: ab,ij,kl
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integer :: maxOO = 10
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integer :: maxOO = 10
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integer :: maxVV = 10
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integer :: maxVV = 0
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double precision,allocatable :: Om1_dyn(:)
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double precision,allocatable :: Om1_dyn(:)
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double precision,allocatable :: Om2_dyn(:)
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double precision,allocatable :: Om2_dyn(:)
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