Code review comment for lp:~albertog/siesta/4.0-n-fix

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Nick Papior (nickpapior) wrote :

LGTM.

One comment.
For bessel-functions there is an inconsistency in that one can request an "n" quantum number, but it is not used and thus *always* prints out n=1 in the PDOS or other meta-data.

This may be confusing for users, consider e.g. this PAO.Basis block:

J 2 # l-shells
 n=2 0 1
   14.5
 n=2 1 1
   14.5

Above is just a place-holder for future!

review: Approve

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