59 lines
2.0 KiB
Fortran
59 lines
2.0 KiB
Fortran
subroutine form_ubb(ubb)
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! Form 2nd term in (T) correction
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implicit none
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! Local variables
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integer :: i,j,k,l,m
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integer :: a,b,c,d,e
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! Output variables
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double precision,intent(out) :: ubb(spin_occ_num,spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num,spin_vir_num)
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ubb(:,:,:,:,:,:) = 0d0
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do c=1,spin_vir_num
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do b=1,spin_vir_num
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do a=1,spin_vir_num
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do k=1,spin_occ_num
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do j=1,spin_occ_num
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do i=1,spin_occ_num
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do e=1,spin_vir_num
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ubb(i,j,k,a,b,c) = ubb(i,j,k,a,b,c) &
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+ t2_cc(i,j,a,e)*VVVO(b,c,e,k) &
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+ t2_cc(i,j,b,e)*VVVO(c,a,e,k) &
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+ t2_cc(i,j,c,e)*VVVO(a,b,e,k) &
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+ t2_cc(k,i,a,e)*VVVO(b,c,e,j) &
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+ t2_cc(k,i,b,e)*VVVO(c,a,e,j) &
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+ t2_cc(k,i,c,e)*VVVO(a,b,e,j) &
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+ t2_cc(j,k,a,e)*VVVO(b,c,e,i) &
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+ t2_cc(j,k,b,e)*VVVO(c,a,e,i) &
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+ t2_cc(j,k,c,e)*VVVO(a,b,e,i)
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end do
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do m=1,spin_occ_num
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ubb(i,j,k,a,b,c) = ubb(i,j,k,a,b,c) &
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+ t2_cc(i,m,a,b)*VOOO(c,m,j,k) &
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+ t2_cc(i,m,b,c)*VOOO(a,m,j,k) &
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+ t2_cc(i,m,c,a)*VOOO(b,m,j,k) &
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+ t2_cc(j,m,a,b)*VOOO(c,m,k,i) &
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+ t2_cc(j,m,b,c)*VOOO(a,m,k,i) &
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+ t2_cc(j,m,c,a)*VOOO(b,m,k,i) &
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+ t2_cc(k,m,a,b)*VOOO(c,m,i,j) &
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+ t2_cc(k,m,b,c)*VOOO(a,m,i,j) &
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+ t2_cc(k,m,c,a)*VOOO(b,m,i,j)
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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 do
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end do
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end do
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end subroutine form_ubb
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