• error while calculating DOS error while calculating DOS sir,i calculated band structure and density of states for (5,5)cnt with 1 carbon displaced by nitrogen. I got band stucture  graph which show overlapping of bands i.e its metallic in nature  but when i analysed it through bandgap script i[…]
  
  Created on: 4 Feb 2012 | 01:59
  
  4 Feb 2012 | 01:59
• Re: Symmetry points Re: Symmetry points here are the snap shots....
  
  Created on: 4 Feb 2012 | 12:16
  
  4 Feb 2012 | 12:16
• Re: Symmetry points Re: Symmetry points Dear sir,      I have GaN naotube without optimization there is bond between both Ga-Ga and Ga-N but after optimization there is bond between Ga-N only,,,,what's the meaning of this?  plz help me..........
  
  Created on: 4 Feb 2012 | 12:12
  
  4 Feb 2012 | 12:12
• Re: Script to dope graphene ribbon on edges only by subtitution - from me to you! Re: Script to dope graphene ribbon on edges only by subtitution - from me to you! ok so i think this script is good, except that i think previously it came up that my gate was sticking out of "the box" ... i tried to get some clarification on this but did not get a response[…]
  
  Created on: 3 Feb 2012 | 10:20
  
  3 Feb 2012 | 10:20
• Re: Script to dope graphene ribbon on edges only by subtitution - from me to you! Re: Script to dope graphene ribbon on edges only by subtitution - from me to you! new script ... this one uses pure atk python to create a AGNR FET (of any width), passivate it, add gate and dielectric and dope the edges of any combination of left, right or center, it if you want ....[…]
  
  Created on: 3 Feb 2012 | 09:58
  
  3 Feb 2012 | 09:58

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