Author Topic: Two-component calculations  (Read 2002 times)


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Two-component calculations
« on: November 28, 2011, 10:46:00 am »
I'm trying to do a two component calculations on singlet and triplet states of AtO molecule.

My question is in the end of output ridft file there is a term note as "Ns", what does it mean this term?

In the case of triplet this term is equal to 2 and in the case of  singlet Ns most be equal to 0 or 1?

Thanks in advance.