[Wien] Valence_Configuration_in_d-shell

[mostefa djermouni]

Dear Prof. Peter Blaha sir,


I asked this quetion in past messages, but with no responses, so I' m hopping I have better luck with this message.

I will do my calculation of LaCoO3 (Rhomb_Lattice) with Fixed Spin Moment (FSM) in Co+3 (6 electron in d-shell) or Co+2(7 electron in d-shell)?

If your answer is Co+3, How can I do this with 1 electron more?

Best regards.

 
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Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
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