I'm fairly new to DFT. I would like to plot the DOS and band structure of Cobalt Oxide (CoO). But since CoO is anti ferro magnetic, how would I approach the problem? would I create an input file wherein I should assign starting magentization to spins as follows:
by using names like Co1 and Co2 in the Atomic species name card. Or would the act of putting nspin = 2, along with a starting magnetisation for all cobalt atoms suffice? Maybe someone who is experience could shed some light on how to properly model an anti-ferro magentic system.