[Pw_forum] Molecular radicals

[Green Power]

Hi, Can anyone give me an example for molecular radical calculations, for
example,the triplet oxygen molecule? Should I set the multiplicity,
magnetization, band occupation or anything else? I did search the archive,
but I get even more puzzled by the explanations. Probably, an example would
help me understand the problem.
Thanks.

Qian
Clemson University
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