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

tayed

  • Jr. Member
  • **
  • Posts: 11
  • Karma: +0/-0
Two-component calculations
« on: November 28, 2011, 10:46:00 am »
Hi,
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.