mirror of https://github.com/pfloos/quack
57 lines
1.3 KiB
Fortran
57 lines
1.3 KiB
Fortran
subroutine GGW_phBSE_static_kernel_A(eta,nBas,nC,nO,nV,nR,nS,lambda,ERI,Om,rho,KA)
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! Compute the BSE static kernel for the resonant block
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implicit none
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include 'parameters.h'
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! Input variables
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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) :: eta
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double precision,intent(in) :: lambda
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double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas)
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double precision,intent(in) :: Om(nS)
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double precision,intent(in) :: rho(nBas,nBas,nS)
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! Local variables
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double precision :: chi
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double precision :: eps
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integer :: i,j,a,b,ia,jb,kc
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! Output variables
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double precision,intent(out) :: KA(nS,nS)
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! Compute static kernel
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ia = 0
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do i=nC+1,nO
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do a=nO+1,nBas-nR
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ia = ia + 1
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jb = 0
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do j=nC+1,nO
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do b=nO+1,nBas-nR
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jb = jb + 1
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chi = 0d0
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do kc=1,nS
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eps = Om(kc)**2 + eta**2
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chi = chi + rho(i,j,kc)*rho(a,b,kc)*Om(kc)/eps
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end do
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KA(ia,jb) = 2d0*lambda*chi
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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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end subroutine
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