Dear all:
I am a new user. And I want to know how to get the magmon of each atom? would somebody give me detail answer? many thanks!
xfh00.
magmon of atom
Moderator: moderators
Re: magmon of atom
You can do a Bader analysis where you partition based upon the total charge density and integrate over the spin up-down portion of the charge density:
bader spin_density -ref total_density
bader spin_density -ref total_density