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https://github.com/pfloos/quack
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62 lines
1.4 KiB
Fortran
62 lines
1.4 KiB
Fortran
subroutine GTeh_renormalization_factor(eta,nBas,nC,nO,nV,nR,nS,e,Om,rhoL,rhoR,Z)
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! Compute renormalization factor for GW
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implicit none
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include 'parameters.h'
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! Input variables
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double precision,intent(in) :: eta
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integer,intent(in) :: nBas
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integer,intent(in) :: nC
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integer,intent(in) :: nO
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integer,intent(in) :: nV
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integer,intent(in) :: nR
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integer,intent(in) :: nS
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double precision,intent(in) :: e(nBas)
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double precision,intent(in) :: Om(nS)
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double precision,intent(in) :: rhoL(nBas,nBas,nS)
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double precision,intent(in) :: rhoR(nBas,nBas,nS)
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! Local variables
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integer :: p,i,a,m
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double precision :: eps
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! Output variables
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double precision,intent(out) :: Z(nBas)
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! Initialize
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Z(:) = 0d0
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! Occupied part of the correlation self-energy
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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,nS
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eps = e(p) - e(i) + Om(m)
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Z(p) = Z(p) - rhoL(i,p,m)*rhoR(i,p,m)*(eps/(eps**2 + eta**2))**2
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end do
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end do
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end do
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! Virtual part of the correlation self-energy
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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,nS
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eps = e(p) - e(a) - Om(m)
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Z(p) = Z(p) - rhoL(p,a,m)*rhoR(p,a,m)*(eps/(eps**2 + eta**2))**2
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end do
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end do
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end do
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! Compute renormalization factor from derivative of SigC
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Z(:) = 1d0/(1d0 - Z(:))
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end subroutine
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