BNL UV calcuation error "one spin state at a time"

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Fantastic, thank you for looking into this. I will check in periodically to see if something turns up.

Thanks!
-Audrey


Quote:Niri Mar 6th 11:51 am
Hi, Thanks for reporting this. It looks like we may have stumbled onto a bug. I will look into it and get back to you and will provide a patch if needed. Btw, the tddft frequencies can only be done numerically.

Best,
-Niri

niri.govind@pnnl.gov


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