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General Questions and Answers / Re: Calculation the transport properties of graphene
« on: January 16, 2012, 11:21 »
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 ..
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 ..