Well, it is in 2 places out of 3 (and there is one more place without n).
I just want to say that fixing it only in one place could be even more
confusing. Thanks.
As pseudopotential generation: Troullier-Martins
nl s eigenvalue rc cdrc delta
1s 0.5 -1.062777 1.898289 0.533207 -1.197303
2p -0.5 -0.395428 2.289789 0.482272 -0.901363
...
and
...
n = 1 l = 0 s = 0.5
a extr 0.797
r extr 1.633
r zero
r 90/99 % 2.940 4.278
n = 2 l = 1 s =-0.5
a extr 0.673
r extr 1.971
r zero
r 90/99 % 3.969 5.995
n = 2 l = 1 s = 0.5
a extr 0.666
r extr 2.006
r zero
r 90/99 % 4.019 6.147
n = 3 l = 2 s =-0.5
a extr 0.188
r extr 111.245
r zero
r 90/99 % 117.448 118.925
WARNING: This orbital is not bound!
...
