Authors may better describe their method specifically. There are multiple approaches addressing this issue, but not all of them turn out valid. Page *, the bottom line mentions contribution of local bonds to transmission. It is therefore very important to specify exactly what is meant by "In transmission pathway analysis, the transmission coefficient is split into local bond contributions." The authors should notice that although the matrices involved in NEGF approach are defined in the basis of atomic orbitals, one cannot "split" the matrices by taking separate parts corresponding to specific atomic orbitals and expect to recover the overall transmission coefficient. "In transmission pathway analysis, the transmission coefficient is split into local bond contributions." How is this done? Details should be provided in the manuscript. I noticed there is a paper in the forum, e.g. Two reviewers both raise questions about it. I plot the pathway of my configuration in the manuscript. NotImplementedError: Wrong number or type of arguments for overloaded function 'new_Cartesian3D'.Ĭartesian3D::Cartesian3D(double const &,double const &,double const &) The error can be found in the attached figure.įile "zipdir\NL\GUI\MainWindow\AnalysisBar\AnalysisBar.py", line 60, in widgetįile "C:\Program Files (x86)\QuantumWise\VNL-ATK-2017.1\Lib\site-packages\AddOns\BasicAnalysis\ViewerPlugin.py", line 84, in createWidgetįile "zipdir\NL\GUI\Tools\Viewer\Viewer.py", line 326, in _addObjectsįile "zipdir\NL\GUI\Graphics\GL\Scene\Scene.py", line 812, in addGridįile "zipdir\NLEngine.py", line 5103, in _init_ The "hdf5" file is the size of about 215MB.
![point energy quantumwise point energy quantumwise](http://2.bp.blogspot.com/_t1Xfu78V8hM/S4LbGWsqGUI/AAAAAAAAAKk/EgGNNYIXBmY/s1600/one-model.jpg)
Nlsave('Trans_Eigenstate_E_0.03_vb_0.3_QN_0.hdf5', transmission_eigenstate)
![point energy quantumwise point energy quantumwise](https://pubs.rsc.org/image/article/2019/RA/c9ra06725f/c9ra06725f-f6_hi-res.gif)
Transmission_eigenstate = TransmissionEigenstate( Path = 'ivcurve_selfconsistent_configuration_0.30000V.hdf5'ĭevice_configuration = nlread(path, object_id='DeviceConfiguration_0') When I plot the transmission eigenstate, there is an error during using the viewer to plot a 3D figure.