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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
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Re: Symmetry points
Re: Symmetry points
here are the snap shots....
Created on: 4 Feb 2012 | 12:16
4 Feb 2012 | 12:16
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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
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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
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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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