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The magnitude of the crystal field splitting
Date: 2021/10/24 18:26
Name: K.Usami

Dear developers,

I am working on calculating the electronic structure of impurities using DOS obtained by OpenMX.
So I would like to know the magnitude of the crystal field splitting, such as 10Dq of the d-orbitals of impurities in an Oh-symmetric crystal. If there is a way to know the exact value, rather than just eyeballing it, please tell me it.

Thank you very much for your help.

Best regards
K. Usami
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