[DFTB-Plus-User] Calculation of Transport through Au Nanowire

[Jake Eldoin]

Hello,

I've been trying to use the NEGF module of DFTB+ to calculate transport
through a gold nanowire structure and I've run into a problem where no
matter what I do the calculated transmission function is zero everywhere,
which leads me to believe I am doing something wrong.

I've checked the geometry (attached in xyz format) multiple times and I
believe that it follows the rules laid out in the manual.

I've also attached the input file (commented out lines are what I used to
calculate the contacts) and the output which shows no transmission.

Any help would be appreciated!
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