spin polarized calculation

[jerry]

Dear,
    I want to know how to set up the spin parameters in a spin polarized calculation for a two probe system and the physical meaning of these parameters.
    Thanks a lot!

[zh]

You can refer to the tutorial of Fe/MgO/Fe two-probe system:
http://www.quantumwise.com/documents/tutorials/latest/Fe-MgO-Fe/index.html/chap.mgo.para.html
http://www.quantumwise.com/documents/tutorials/latest/Fe-MgO-Fe/index.html/chap.mgo.anti.html

1) The exchange correlation functional should be set as LSDA.PZ or SGGA.PBE.
2) The initial magnetic moment (i.e., initial spin) for the desired atoms should be specified properly.
see http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.initialspin.html

[jerry]

Thank you！