[Pw_forum] transmission calculation

Lorenzo Paulatto paulatto at sissa.it
Thu Apr 30 13:34:42 CEST 2009

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
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

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