Calculation of SO-Potential from ECP?


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Forum Regular
11:07:06 AM PST - Wed, Jan 17th 2018
Hi, You can download the SO ECPs from the Stuttgart-Koln website. We have added this information on our github wiki page. The information and an example are in the SO section.

https://github.com/nwchemgit/nwchem/wiki/ECP

Let us know if you need any additional information.

Best,
-Niri Govind
niri.govind@pnnl.gov