[Wien] Valence_Configuration_in_d-shell

[mostefa djermouni]

Dear Prof. Peter Blaha sir,


My past question is:

How can I calculate the 3 configurations (LS, IS and HS) of d-shell of "Co" in LaCoO3 with FSM,
Please provide me the input configuration in case.inst.

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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