How to know the initial magnetic moments?
Posted: Wed Dec 11, 2013 11:18 pm
Dear all,
I just get start the spin-orbit coupling computation. I am doing the calculation of pyrochlore oxide family, and I have problem on specifying MAGMOM-tag. My question is how to know the initial magnetic moments of a sample. Does them be calculated or have to rely on experimental data (I had hard time to find them)? If it could be calculated, would you please give me some hints?
THANK YOU VERY MUCH!
I just get start the spin-orbit coupling computation. I am doing the calculation of pyrochlore oxide family, and I have problem on specifying MAGMOM-tag. My question is how to know the initial magnetic moments of a sample. Does them be calculated or have to rely on experimental data (I had hard time to find them)? If it could be calculated, would you please give me some hints?
THANK YOU VERY MUCH!