Dear colleagues, I have some confusion on building DM.InitSpin block for magnetic systems. I was hoping if someone could guide me through this, that would be highly appreciated.
I am working on FM systems and I have noticed that using these two blocks (below) give the same result. %block DM.InitSpin # this polarizes along z-axis 5 + 0. 0. 6 + 0. 0. %endblock DM.InitSpin %block DM.InitSpin # this polarizes along x-axis 5 + 90. 0. 6 + 90. 0. %endblock DM.InitSpin My system has easy-plane type magnetic anisotropy means in the ab plane magnetization is strong and along z-axis it is weak. When I calculate spin density and pDOS for these two spin polarized directions, I get exactly the same results. It seems to me for any given direction full saturation moment is taken. Does it mean that Siesta considers it as isotropic system and independent of polarization directions? Is there any way to check the final direction of magnetic moment? However, in my system anisotropy comes from the sing-ion anisotropy(SIA) and this SIA is not included in the calculation. Therefore, it make sense that SIESTA takes it as isotropic. Is it so? Could someone please help me to understand this situation? Is there any way to include such SIA or magnetic exchange interactions in the input file? Best regards, Rajesh
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
