[CP2K:3228] spin-polarized calculation with biased spin: how to obtain ground state of oxygen atom
Valerio Bellini
valerio... at unimore.it
Fri May 6 17:47:27 UTC 2011
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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