Hii, I am trying to run AIMD calculations, where I am trying to get a quintet state for Fe(IV)=O complex (which means S=2, attached), but unfortunately I am getting triplet state or we can say for S=1. How can I improve this please suggest me. If you know please tell me.<div>Thank You.</div><div><br /></div><div>Regards,</div><div>Sunita Sharma</div>

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