3:34:31 PM PDT - Wed, Jul 2nd 2014 |
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The ANO-RCC basis set for Ca has been fixed. In addition I have found that the highest exponent for Yb was incorrect also (the leading digit was missing). This is also fixed. I think the exponents are right now (at least I didn't find anymore obvious errors such a duplicate exponents and all exponents per shell now have decreasing values) but if you find anything strange, please let me know.
Thanks, Huub
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