| 1:15:31 PM PDT - Tue, Jun 3rd 2014 |
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Hi everybody,
I am trying to perform SODFT calculations. For this purpose besides using the standard ECP and basis sets, I also have to specify a spin-orbit (SO) potential. I know there is a really good website (https://bse.pnl.gov/bse/portal) where one can find basis sets and ECP for all elements, but I do not know where I can find SO potential for certain atoms. Also I would like to know if it is possible to perform SOTDDFT calculation with NWChem code.
Thanks a lot!
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