• The results of pathway? The results of pathway? Dear all,In my attach figure, you can see the above of the NO2 have two arrows, why does the arrow point to NO2 from somewhere there is not any atom? Where did the current from?Thank you!
  
  Created on: 21 May 2012 | 09:23
  
  21 May 2012 | 09:23
• Re: I-V curve of DTB device Re: I-V curve of DTB device Difficult to determine what is the exact reason. The geometries are also not exactly the same, and I do not have the old geometry. It is  important that you have a fine mesh for:DoubleContourIntegralParameters(real_axis_point_density )thus, you mig...
  
  Created on: 21 May 2012 | 08:46
  
  21 May 2012 | 08:46
• Re: about Transmission pathway Re: about Transmission pathway Thanks!
  
  Created on: 21 May 2012 | 08:24
  
  21 May 2012 | 08:24
• Re: How to obtain the electron matrix elements of the Hamiltonian and overlap? Re: How to obtain the electron matrix elements of the Hamiltonian and overlap? The sparse matrices can be a little bit hard to use. Here is a script which gives the dense matrices.
  
  Created on: 21 May 2012 | 07:45
  
  21 May 2012 | 07:45
• Re: How is the heterogeneous two-probe periodically-repeated? Re: How is the heterogeneous two-probe periodically-repeated? Quote from: Anders Blom on May 20, 2012, 22:57In case this is a pure junction between two materials, one should really consider how the atoms rearrange to form the interface. Sometimes it can be ok to make a highly simplifie...
  
  Created on: 21 May 2012 | 05:37
  
  21 May 2012 | 05:37

Visit the Forum