diff --git a/src/states.f90 b/src/states.f90 index 0959e9d..94d29b7 100644 --- a/src/states.f90 +++ b/src/states.f90 @@ -26,6 +26,7 @@ subroutine get_atomic_states_nonrel(Z, no, lo, fo) ! Note: sum(fo) == Z integer :: n +integer :: i, l select case (Z) @@ -667,11 +668,18 @@ subroutine get_atomic_states_nonrel(Z, no, lo, fo) fo = (/ 2, 2, 6, 2, 6, 10, 2, 6, 10, 14, 2, 6, 10, 2, 2, 6, 1, 2 /) case (92) - n = 18 - allocate(no(n), lo(n), fo(n)) - no = (/ 1, 2, 2, 3, 3, 3, 4, 4, 4, 4, 5, 5, 5, 5, 6, 6, 6, 7 /) - lo = (/ 0, 0, 1, 0, 1, 2, 0, 1, 2, 3, 0, 1, 2, 3, 0, 1, 2, 0 /) - fo = (/ 2, 2, 6, 2, 6, 10, 2, 6, 10, 14, 2, 6, 10, 3, 2, 6, 1, 2 /) + n = 28 + allocate(no(n), lo(n), fo(n)) + i = 1 + outer: do n = 1, 7 + do l = 0, n-1 + no(i) = n + lo(i) = l + fo(i) = 2 + !if (n == 7 .and. l == 5) exit outer + i = i + 1 + end do + end do outer case default print *, "Z =", Z