[Wien] LSTART Error

[mostefa djermouni]

Dear Prof. Peter Blaha sir,

Thank you so much Professor for your response, I appreciate it a lot.

I will do my calculation of LaCoO3 with 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?

I apologize for the inconvenience this may have caused.
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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