[Wien] [SPAM?] how to set spin polarized calculation

[Stefaan Cottenier]

> I want to set two equivalent Fe atoms in one unit cell with one spin-up
> the other spin-down.How can I do this? Should I first set the two
> equivalent Fe atoms to inequivalent ones?

Yes (by adding a number in the 'label' field).

> If so,the spacegroup of the
> system should be changed during the structure generation
> process,shouldn't it?

Yes (but sgroup will take care of that).

After this, specify opposite moments for both Fe atoms in lstart.

Stefaan