| 6:03:11 PM PST - Mon, Dec 17th 2012 |
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Bug or feature
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Don't know if this should be considered a bug or a feature. We're in uncharted territory here, as there is very few basis sets of the 7Z or higher quality made and only for a couple of elements. The makers of these basis sets decided to designate l=7 as a K-function (i.e. skipping the J-type name). I can only speculate as to why, potentially because spin-orbit quantum number.
Anyway, in NWChem this naming convention (S, P, D, F, G, H, I, K, L, M) was adopted and utilized in the BSE. Addressing this extremely rarely seen feature will be put on the list, when we have some of our limited funds available.
Bert
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