| 5:42:20 PM PDT - Tue, Apr 1st 2014 |
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Hello,
I just found out that the ANO_RCC basis set has several missing parts. All of them correspond to the largest angular momenta for atoms Pr, Pt, Au, Hg, Fr and Ra. That is Pr, Pt, Au and Hg are missing their h-functions, and Fr and Ra are missing their g-functions, everything else seems to be fine. Probably just wrong l_max variable, or something like that. Correct coefficients and exponents are to be found e.g. here: http://molcas.org/basis/70/ANO-RCC.txt
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