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

[Abderrahmane Reggad]

Thank you victor for your answer

The Fe+2 ion in the NiAs structure has an octahedral ccordination and has a
high spin configuration.

In wien2k code, where have we to look to check if , for example, the iron
ion has a high spin configuration.

Best regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170826/b4bb3fd1/attachment.html>