Dear all, i am trying to calculate the TMR for a ferromagnetic/oxide/ferromagnetic junction. i should do calculation for parallel and antiparallel configurations, so i initialize the spin by using the block DM.InitSpin
%block Chemical_Species_Label 1 26 Fe_up 2 26 Fe_down %endblock Chemical_Species_Label SpinPolarized .true. %block DM.InitSpin 1 + 2 - %endblock DM.InitSpin the problem is that i get exactally the same transmission coefficient i would be very grateful if someone could help me