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96 lines
2.3 KiB
Fortran
96 lines
2.3 KiB
Fortran
subroutine form_abh(t1,tau,aoooo,bvvvv,hovvo)
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! Scuseria Eqs. (11),(12) and (13)
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implicit none
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! Input variables
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double precision,intent(in) :: t1(spin_occ_num,spin_vir_num)
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double precision,intent(in) :: tau(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num)
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! Local variables
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integer :: i,j,k,l
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integer :: a,b,c,d
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! Output variables
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double precision,intent(out) :: aoooo(spin_occ_num,spin_occ_num,spin_occ_num,spin_occ_num)
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double precision,intent(out) :: bvvvv(spin_vir_num,spin_vir_num,spin_vir_num,spin_vir_num)
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double precision,intent(out) :: hovvo(spin_occ_num,spin_vir_num,spin_vir_num,spin_occ_num)
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aoooo(:,:,:,:) = OOOO(:,:,:,:)
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do l=1,spin_occ_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 c=1,spin_vir_num
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aoooo(i,j,k,l) = aoooo(i,j,k,l) + OVOO(i,c,k,l)*t1(j,c)
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end do
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do c=1,spin_vir_num
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aoooo(i,j,k,l) = aoooo(i,j,k,l) - OVOO(j,c,k,l)*t1(i,c)
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end do
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do d=1,spin_vir_num
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do c=1,spin_vir_num
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aoooo(i,j,k,l) = aoooo(i,j,k,l) + OOVV(k,l,c,d)*tau(i,j,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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end do
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end do
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bvvvv(:,:,:,:) = VVVV(:,:,:,:)
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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 d=1,spin_vir_num
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do c=1,spin_vir_num
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do k=1,spin_occ_num
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bvvvv(c,d,a,b) = bvvvv(c,d,a,b) - VOVV(a,k,c,d)*t1(k,b)
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end do
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do k=1,spin_occ_num
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bvvvv(c,d,a,b) = bvvvv(c,d,a,b) + VOVV(b,k,c,d)*t1(k,a)
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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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hovvo(:,:,:,:) = OVVO(:,:,:,:)
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do k=1,spin_occ_num
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do a=1,spin_vir_num
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do c=1,spin_vir_num
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do i=1,spin_occ_num
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do l=1,spin_occ_num
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hovvo(i,c,a,k) = hovvo(i,c,a,k) - OVOO(i,c,l,k)*t1(l,a)
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end do
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do d=1,spin_vir_num
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hovvo(i,c,a,k) = hovvo(i,c,a,k) + OVVV(k,a,c,d)*t1(i,d)
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end do
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do d=1,spin_vir_num
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do l=1,spin_occ_num
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hovvo(i,c,a,k) = hovvo(i,c,a,k) - OOVV(k,l,c,d)*tau(i,l,d,a)
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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_abh
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