[Wien] EECE Spin-orbit density of states

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Feb 14 23:35:46 CET 2013


SO mixes up and dn spin into a single state. But still most states have 
a clear preference being up/dn.
And in addition, one can project out the up/dn component in the same way 
as we project out a particular contribution of one atom/on l-value,...

Am 14.02.2013 12:12, schrieb Francisco Garcia:
> Dear Prof. Blaha,
>
> Thanks for your reply. I thought SO no longer distinguishes between
> spin up or spin dn. Therefore x tetra -up & x tetra -dn should yield
> the same DOS output if the atomic index is set to 0 and the qtl column
> is set to 1 in case.int. In that case does it matter if the system is
> FM or AFM (or NM)?
>
> Thank you.
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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