The ABINIT Users Mailing List ( CLOSED )

[Katalin Gaal-Nagy <katalin.gaal-nagy@physik.uni-regensburg.de>]

Dear all,

I try to investigate a system in order to figure out if it is spin 
polarized or not. According to the tutorial I set

     nsppol 2
     spinat ...

where ... is an arbitrary choice of the spins for the atoms.

The result is, that the occupation for spin up and spin down is the same, 
and thus, my system should not be spin polarized. I just want to know, if 
I really would figure out with the choice of the parameters above, if the 
system is spin polarized or not. Did I do the right choice of nsppol and 
spinat, or is there something else I chould try?

Best wishes,
Katalin