Spin Polarized Calculation
Posted: Sat Nov 24, 2012 1:29 am
Hi,
One quick question: when performing a spin-polarized calculation, does the spinat variable simply refer to the number of unpaired electrons in the isolated atom? Does this hold true for both magnetic and non-magnetic materials?
Thanks a lot!
One quick question: when performing a spin-polarized calculation, does the spinat variable simply refer to the number of unpaired electrons in the isolated atom? Does this hold true for both magnetic and non-magnetic materials?
Thanks a lot!