49 lines
1.0 KiB
Fortran
49 lines
1.0 KiB
Fortran
subroutine form_g(hvv,hoo,t1,gvv,goo)
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! Scuseria Eqs. (9), (10)
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implicit none
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! Input variables
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double precision,intent(in) :: hvv(spin_vir_num,spin_vir_num)
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double precision,intent(in) :: hoo(spin_occ_num,spin_occ_num)
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double precision,intent(in) :: t1(spin_occ_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) :: gvv(spin_vir_num,spin_vir_num)
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double precision,intent(out) :: goo(spin_occ_num,spin_occ_num)
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gvv(:,:) = hvv(:,:)
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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 d=1,spin_vir_num
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do k=1,spin_occ_num
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gvv(c,a) = gvv(c,a) + VOVV(a,k,c,d)*t1(k,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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goo(:,:) = hoo(:,:)
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do k=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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do l=1,spin_occ_num
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goo(i,k) = goo(i,k) + OOOV(k,l,i,c)*t1(l,c)
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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_g
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