magnetic moment
Posted: Wed Oct 08, 2008 9:58 am
I wanna calculate a system's magnetic moment. I set ISPIN=2, but didn' t set MAGMOM . And I wanna to see how the Hubbard U influence the magnetic moment when I using LDA+U method. But I got the same magnetic moment according to different U. So must I explicit the atom's magnetci moment before calculation to get a reliable result?