[Pw_forum] pwcond calculations about the transmission in two seperated spin channels

[Gabriele Sclauzero]

Erjun Kan wrote:
> Dear all,
>  
> I want to calculate the transmission of ferromagnetic metal Fe in two 
> spin channels, i.e. spin_up and spin_down seperately.
> Iofspin= 2 is used for the calculation, but the calculated results show 
> only the total transmission, such as:

It is the total trasmission (i.e. summed over k_|| points) for the spin channel you 
selected. It is given in units of _half_ G_0, so from your output I guess you have one 
channel spin-up (or spin-down?) perfectly transmitted.
To have what you call total transmission, you must sum up the spin-up transmission to the 
spin-down one (which come from two different files obtained as output of two calculations, 
iofspin=1,2).


GS


> # E-Ef, T
>   2.950000  1.000000
>   2.850000  1.000000
>   2.750000  1.000000
>   2.650000  1.000000
>   2.550000  1.000000
>   2.450000  1.000000
>   2.350000  1.000000
>   2.250000  1.000000
>   2.150000  1.000000
>   2.050000  1.000000
>   1.950000  1.000000
>   1.850000  1.000000
>   1.750000  1.000000
>   1.650000  1.000000
>   1.550000  1.000000
>   1.450000  1.000000
> So anyone have ideas to handle such problem?
>  
> Bests,
> Erjun Kan
>  
> =============================================================
>  Erjun Kan
>  Department of Chemistry, North Carolina State University
>  Raleigh, North Carolina, USA
>  E-mail: erjunkan at mail.ustc.edu.cn <mailto:erjunkan at mail.ustc.edu.cn>  or
>              ekan at ncsu.edu <mailto:ekan at ncsu.edu>
> =============================================================
> 
> 
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