Dear all I’m testing pseudo-potential designing.
In the calculation of ae, sometimes it shows negative spin charge in plotting vspin.gplot. I think it should be positive always. Why does it mean by negative spin density? In ATOM program, when test file of pg of Si (relative regime) is running, all electron spin density looks like symmetric across the x-axis. And next, why the up and down spin density is gotten by up*up - core, down*down - core in vspin.gplot? I think that it should be up - core/2, down - core/2 and always up - core/2 > 0, down -core/2 > 0. Don’t you explain any idea for this? Regards, Joonho
