[Wien] How to know if the M+2 has a high spin from calculation?

Abderrahmane Reggad jazairdz at gmail.com
Sat Aug 26 13:20:19 CEST 2017


Dear wien2k users

We know that the ion Fe+2 has a high spin configuration (3d6 (teg(4) eg(2))
because the crystal field effect..

How to check that from calculation ?

Best regards
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