An error in the ANO-RCC/Sb basis functions

Clicked A Few Times

12:37:36 PM PDT - Tue, Jul 10th 2012
g, SB , 1.6102280000, 0.5608620000, 0.5608620000 The last g function should be 0.224345000.

Forum Vet

11:27:17 AM PDT - Mon, Jul 16th 2012
Thanks for finding that. This has been corrected. Bert Quote:Zork Jul 10th 7:37 pm g, SB , 1.6102280000, 0.5608620000, 0.5608620000 The last g function should be 0.224345000.

Just Got Here

2:20:37 AM PDT - Mon, Jul 1st 2013
This is not fixed in https://bse.pnl.gov/bse/portal Am I missing something?

Forum Regular

4:07:37 PM PDT - Mon, Jul 1st 2013
Hi Jellby, I am afraid you are not missing something. I am trying to get this fixed but the software that manages the Basis Set Exchange chokes when I try to update such a large basis set. So, I need to go bug someone to get this fixed... Huub

Forum Regular

1:19:36 PM PDT - Tue, Jul 2nd 2013
Hi Jellby, The issue is fixed now, and the ANO-RCC basis set for Sb should match the NWChem internal library. Huub

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