[DFTB-Plus-User] single molecule transmission

Raha khalili khadije.khalili at gmail.com
Tue Apr 5 08:54:25 CEST 2016


Hello!

I am trying to find transmission of a single molecule sandwiched between
two CNT electrodes. My calculations got converged but the final
transmission order is very low, almost zero.
Here are attached the input and ouput files. Any help will be really
appreciated.

Best regards,
Raha

-- 
Khadijeh Khalili
Nanotechnology group, Physics department, university of Mazandaran
Babolsar, Iran
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