| 10:13:16 AM PDT - Wed, Jun 4th 2014 |
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Hi,
We don't have SO ECPs on the EMSL Basis Set Exchange. We are looking into that and hopefully will have these included at some point. For now, you can get the ECPs and SO-ECPs and the corresponding basis sets from the Stuttgart site.
http://www.theochem.uni-stuttgart.de/pseudopotentials/clickpse.en.html
You will need to convert them to the NWChem format.
Hope this helps.
Best regards,
-Niri
niri.govind@pnnl.gov
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