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I have create a simple GNR fet type device and have tried to follow the tutorial code .. i want to get the IV curve for a simple GNR ... code is below and attached image ..

It should be a 12,0 AGNR, gate voltage at 1V, electrodes at -0.1 and 0.1, .... IV curve is linear (only if I "symmetrize", otherwise it is a point) ... and i get flat conductance ... what am I doing wrong?

makeCfg() and doCalcs() are the only functions used for now ..

General Questions and Answers / Re: gate electrodes
« on: January 16, 2012, 08:50 »
ahhh great thank you. 

General Questions and Answers / gate electrodes
« on: January 15, 2012, 04:39 »
I have been reading over these tutorials and I cannot seem to piece together how to add a gate to a simple GNR FET type device ... am I correct that this cannot be done in the GUI and has to be done programatically? 

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