Multiplicity: Spin vs UHF Keywords #1045
Answered
by
marcelmbn
sbembenek18
asked this question in
Q&A
-
|
I have a system with 2 unpaired electrons -- Multiplicity 3. Using --uhf 2 seems to handle this correctly, but when I use the $spin 1 in the input file, I get a different result. Are these keywords describing two different things? |
Beta Was this translation helpful? Give feedback.
Answered by
marcelmbn
Dec 14, 2024
Replies: 1 comment
-
|
I'd have to look it up myself but I guess, for reaching the equivalent result, you'd have to set |
Beta Was this translation helpful? Give feedback.
0 replies
Answer selected by
marcelmbn
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
I'd have to look it up myself but I guess, for reaching the equivalent result, you'd have to set
$spin 2.