Initial spin state for non-collinear calculations

[bubble]

Hi Everyone
   
    Now I have two questions.
   
   1. It is well known that, in a non-collinear spin calculation, the initial magnetic moment on an atom should be a vector with x, y and z components.  However, in the "initial state\user spin", only one spin number can be modified rather than three. I wonder how to  give a initial spin for an atom with three required components.  For example, I want to give a fixed spin state for an atom, and the relative values of the three components are x=0.5, y=0.5, z= -1.

   2. Can ATK give the orbital magnetic moment when the spin-orbital interaction is considered?

Thank you!

[Umberto Martinez]

Hello,
please have a look at the Spintronics section of our tutorials.

short answer, you can to set your initial spin in spherical coordinates as shown in the  Noncollinear calculations for metallic nanowires tutorial.