How to specify magnetic moments for Ferro and Ferri magnetic systems
Posted: Sun Sep 23, 2012 12:38 pm
I am doing a spin polarized calculation for system which consists of atoms of C, B, N.
I want to give initial magnetic moment for these atoms. How can i specify initial magnetic moments for Ferro, Ferri and Anti-ferro magnetic systems having atoms of 6C,2B,6N.
I want to give initial magnetic moment for these atoms. How can i specify initial magnetic moments for Ferro, Ferri and Anti-ferro magnetic systems having atoms of 6C,2B,6N.