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Re: Spin-orbit coupling at DFT level

Alex Granovsky


no, spin-orbit DFT is not supported by Firefly.
Spin-orbit computations are only available for CI and MCSCF at present.

Kind regards,
Alex Granovsky

On Sat Jul 26 '14 8:48pm, TianY wrote
>Hi All,

>Is Firefly capable of doing spin-orbit coupling interactions at DFT level? If it does, could you please provide me an example to do that?
>Thank you in advance.


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