[Wien] Re: [Wien] 回复:Re: [Wien] spin-orbit coupling!!

[Stefaan Cottenier]

> Thank Stefaan Cottenier for reply, now most important
>is that I am not sure the direction of the magnetic
>moments ,how can I do it ?

You mean how you can know the direction before starting the calculation?
Either you have to know it from experiment, or you can try different
directions and see which one gives you the lowest energy (this is hard work,
however, with small energy differences and with results that do not always
agree with experiment).

Stefaan