[Pw_forum] Projected DOS in noncollinear calculation

Stefano Baroni baroni at sissa.it
Wed Oct 24 08:27:37 CEST 2012


See the answer to a (almost) same question that you already asked ... SB - SISSA

--
Stefano Baroni, Trieste -- swift message written and sent on the go

On 23/ott/2012, at 04:42, Peng Chen <pchen at ion.chem.utk.edu> wrote:

> Dear All,
> 
> In the noncollinear PDOS results, I guess the spin up/down refers to the z axis. In my system, some spins of the Ni atoms are along  x or y axis,  so the up and down PDOS of one Ni atom are the same. I am wondering if I can get the majority/minority PDOS of Ni along x or y axis? Any suggestions are appreciated!
> 
>  
> 
> 
> -- 
>   Best Regards.
>         Peng  
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