program test mo_mono implicit none integer :: i, j integer :: ortho ortho = 1 do i=1,mo_tot_num do j=1,i-1 if (abs(mo_overlap(i,j)) > 1.d-9) then print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j) ortho = 0 endif enddo if (abs(1.d0-mo_overlap(i,j)) > 1.d-9) then print '(I4,A,I4,2x,A, 2x,e16.8)' , i,',',j, ' : ', ao_overlap(i,j) ortho = 0 endif enddo print *, 'Orthonormal : ', ortho end