spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom

Gabrielet=16 gabri... at gmail.com
Mon May 9 00:12:06 UTC 2011


Dear Valerio,

Thank you very much. The multiplicity tag fixed it! I had already used
the LSD tag for a spin-polarized calculation, but I had to switch off
BS.

Kind regards,
Gabriele

On May 6, 7:47 pm, Valerio Bellini <valerio... at unimore.it> wrote:
> sorry for the sequence of e-mail..
> I read it wrong, you wanted a S=1.
> So it holds my first message,
> as a matter of facts your output say " Multiplicity not specified".
> cheers,
> Valerio


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