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Negative transmission coefficient values
Date: 2010/06/19 06:05
Name: Priyamvada Jadaun   <priyamvada@mail.utexas.edu>

Hi

I am trying to run transport calculations between Si/SiO2/Si structures using OpenMX. I built my files on the lines of the model Lead-Chain.dat and NEGF-Chain.dat input files given in /work/negf_example.
However I am getting negative values at some energies for the transmission coefficient.
This seems to be unphysical to me.

Can someone point out the error in and solution to my problem?

Thanks a lot
Priyamvada
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