spin polarization
Posted: Sat Nov 22, 2014 2:30 am
Hello,
I am making a normal relaxation for some metals including Fe which I have to run a spin polarization calculation for it, I wonder whether it is just enough to put ISPIN = 2 or I need to change more parameters?
Best,
I am making a normal relaxation for some metals including Fe which I have to run a spin polarization calculation for it, I wonder whether it is just enough to put ISPIN = 2 or I need to change more parameters?
Best,