fixup radial state n

Author: johannes-moegerle

src/ryd_numerov/radial/radial_state.py

@@ -63,7 +63,9 @@ def set_n_for_sanity_check(self, n: int) -> None:
         if not (n.is_integer() and n >= 1):
             raise ValueError(f"n must be an integer, and larger or equal 1, but {n=}")
 
-        if n < (self.nu - 1e-2):  # avoid issues due to numerical precision and due to NIST data
+        if n > 10 and n < (self.nu - 1e-5):
+            # if n <= 10, we use NIST energy data for low n, which sometimes results in nu > n
+            # -1e-5: avoid issues due to numerical precision and due to NIST data
             raise ValueError(f"n must be larger or equal to nu, but {n=}, nu={self.nu} for {self}")
         if n <= self.l_r:
             raise ValueError(f"n must be larger than l_r, but {n=}, l_r={self.l_r} for {self}")