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 (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. ? ------------------------------------------------------- Mostefa DJERMOUNI Modeling and Simulation in Materials Science Laboratory University of Sidi Bel-Abbes 22000 Sidi Bel-Abbes, Algeria Tel: +213 795 626 105 ------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120924/207b41a4/attachment.htm>
