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https://github.com/pfloos/quack
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82 lines
2.1 KiB
Fortran
82 lines
2.1 KiB
Fortran
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subroutine unrestricted_renormalization_factor_Tmatrix(ispin,eta,nBas,nC,nO,nV,nR,nH,nP,e,Omega1,rho1,Omega2,rho2,Z)
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! Compute renormalization factor of the T-matrix self-energy
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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,nC(nspin),nO(nspin),nV(nspin),nR(nspin)
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integer,intent(in) :: nH,ispin
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integer,intent(in) :: nP
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double precision,intent(in) :: e(nBas,nspin)
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double precision,intent(in) :: Omega1(nP)
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double precision,intent(in) :: rho1(nBas,nBas,nP,nspin)
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double precision,intent(in) :: Omega2(nH)
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double precision,intent(in) :: rho2(nBas,nBas,nH,nspin)
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! Local variables
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integer :: i,a,p,cd,kl
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double precision :: eps
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! Output variables
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double precision,intent(out) :: Z(nBas,nspin)
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! Occupied part of the T-matrix self-energy
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if(ispin==1) then
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do p=nC(1)+1,nBas-nR(1)
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do i=nC(1)+1,nO(1)
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do cd=1,nP
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eps = e(p,1) + e(i,1) - Omega1(cd)
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Z(p,1) = Z(p,1) - rho1(p,i,cd,1)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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! Virtual part of the T-matrix self-energy
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do p=nC(1)+1,nBas-nR(1)
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do a=nO(1)+1,nBas-nR(1)
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do kl=1,nH
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eps = e(p,1) + e(a,1) - Omega2(kl)
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Z(p,1) = Z(p,1) - rho2(p,a,kl,1)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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end if
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! Occupied part of the T-matrix self-energy
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if(ispin==2) then
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do p=nC(2)+1,nBas-nR(2)
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do i=nC(2)+1,nO(2)
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do cd=1,nP
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eps = e(p,2) + e(i,2) - Omega1(cd)
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Z(p,2) = Z(p,2) - rho1(p,i,cd,2)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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! Virtual part of the T-matrix self-energy
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do p=nC(2)+1,nBas-nR(2)
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do a=nO(2)+1,nBas-nR(2)
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do kl=1,nH
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eps = e(p,2) + e(a,2) - Omega2(kl)
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Z(p,2) = Z(p,2) - rho2(p,a,kl,2)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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end if
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end subroutine unrestricted_renormalization_factor_Tmatrix
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