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. ? ------------------------------------------------------- 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/20121005/914854c0/attachment.htm>
