[Pw_forum] transmission calculation

[Manoj Srivastava]

Dear Lorenzo, 
 Thank you for answering. Layers 4 and 5 are supposed be like that, it is
done on purpose. The file I provided was not for the lead but for the
scattering region. I have visualized my structure, it looks ok.

Regards, 
Manoj

On Thu, 30 Apr 2009, Lorenzo Paulatto wrote:

> In data 30 aprile 2009 alle ore 13:23:25, Manoj Srivastava  
> <manoj at phys.ufl.edu> ha scritto:
> >  I did this for several cases, I interchanged right and left leads,
> > increased number of atoms in the scattering region, chose scattering
> > region in different way, and everytime kz of left lead changes. Following
> > is my input file for the scattering region -
> 
> I'm no expert in transimission calculation, but I have had a look at your  
> scf input file for the lead region, using XCrysDen, and I've noticed tha  
> tlayers 4 and 5 are aligned in a strange way, reducing the system  
> symmetry. Are you sure you have done it on purpose? Have you tried  
> checking your input files with XCD?
> 
> best regards
> 
> 
> -- 
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
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