subroutine form_h(t1,tau,hvv,hoo,hvo) ! Scuseria Eqs. (5), (6) and (7) implicit none ! Input variables double precision,intent(in) :: t1(spin_occ_num,spin_vir_num) double precision,intent(in) :: tau(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) ! Local variables integer :: i,j,k,l integer :: a,b,c,d ! Output variables double precision,intent(out) :: hvv(spin_vir_num,spin_vir_num) double precision,intent(out) :: hoo(spin_occ_num,spin_occ_num) double precision,intent(out) :: hvo(spin_vir_num,spin_occ_num) hvv(:,:) = 0d0 do b=1,spin_vir_num hvv(b,b) = eV(b) do a=1,spin_vir_num do j=1,spin_occ_num do k=1,spin_occ_num do c=1,spin_vir_num hvv(b,a) = hvv(b,a) - OOVV(j,k,b,c)*tau(j,k,a,c) end do end do end do end do end do hoo(:,:) = 0d0 do i=1,spin_occ_num hoo(i,i) = eO(i) do j=1,spin_occ_num do k=1,spin_occ_num do b=1,spin_vir_num do c=1,spin_vir_num hoo(i,j) = hoo(i,j) + OOVV(j,k,b,c)*tau(i,k,b,c) end do end do end do end do end do hvo(:,:) = 0d0 do j=1,spin_occ_num do b=1,spin_vir_num do c=1,spin_vir_num do k=1,spin_occ_num hvo(b,j) = hvo(b,j) + OOVV(j,k,b,c)*t1(k,c) end do end do end do end do ! print*,'hvv',hvv end subroutine form_h