Dear all I have perorm GGA+U for a system with trigonally distorted (D3d) of octahedral symmetry (MO6) (with orbital 3d6). using PDOS for this system perdict two transition. How can I find which transion is allowed or forbbiden?
I am looking forward to hearing from you. Mansoureh Pashangpour Islamic Azad University Science & Reaserch Branch, Tehran, Iran. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090805/840fefd7/attachment.htm
