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[资源]
【共享】如何选择本征通道（转自quantumwise）
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There is speaking in VNL mannul"Transmission eigenchannels of doped Al wire": # Calculate the transmission eigenstates index_list = [0,1] kpoint_list = [(0.0,0.0)] for index in index_list: transmission_eigenstate = calculateTransmissionEigenstates( scf, energy, quantum_numbers=(index,kpoint_list) ) results.addToSample(transmission_eigenstate[0],"perfect_alwire"  I have some question about it. When I calculate the transmission eigenstates of the two-probe system, how can I choose eigenchannel index and set it in VNL Thanks. Hi anyipeng, Quoting from the ATK manual from section "calculateTransmissionEigenstates": "index is the transmission eigenvalue index (see calculateTransmissionEigenvalues ()). The transmission eigenvalue index may assume any integer value within the range [0, Neigenchannels-1], where Neigenchannels indicates the number of eigenchannels which corresponds to non-vanishing transmission eigenvalues." So, to determine Neigenchannels, firstly you have to see the number of non-zero transmission eigenvalues. Regards Serhan Inside VNL you do it by dropping the twoprobe on the NanoLanguage scripter, and selecting the analysis tab. Select the transmission eigenstates, and the dialog below will show all the input data. In the field Eigenchannel index you simply enter the number (starting from zero) of the eigenchannel you want to calculate. Where 0 being the one with the highest transmission, and 1 then one with the second highest transmission and so on. |
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3楼2009-01-01 08:51:12
