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Topics - neerajkumar

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1
Hello Everyone,
Is there any more efficient method (other than the Mullikan population) for calculating the charge transfer?

2
Dear Sir,

       Kindly tell me if I'll upgrade my older version (2008.10) of ATK-VNL to new version 2010.8 then can I use my older optimized structures as input for further calculations with new version?


3
Dear all,

Is it possible to calculate charge transfer and partial density of states using ATK-VNL?
Please help..

4
Kindly tell me how to calculate work function of metals or graphene using version 2008.10?
If there is any script, please provide me..

5
Future Releases / DOS Calculatons for graphene nanoribbons
« on: January 3, 2011, 08:48 »
I strongly recommend that there should be facility of calculating density of States for graphene nanoribbons. Old version only calculate DOS for two probe systems and not for nanoribbons..

6
Kindly tell me if there is possibility of calculating Density of States for Graphene nanoribbons?
DOS calculation is available in old version (2008.10) but only for two probe system and not for ribbons..

I am interested in DOS calculations for nanoribbons not for two probe systems..



7
General Questions and Answers / I-V curve plotting
« on: October 13, 2010, 08:19 »
Kindly tell me is there any script to plot voltage versus current curve using 2008.10.0 ?

8
General Questions and Answers / Plotting DOS with ver. 2008.10.0
« on: October 11, 2010, 12:17 »
Please tell me is it possible to plot Density of States for graphene nanoribbons with version 2008.10.0?
if it is possible, kindly provide me the script for the same..

9
Installation and License Questions / Quoting ATK-VNL
« on: October 11, 2010, 08:15 »
Please tell me how to quote ATK-VNL version 2008.10.0 in research paper?

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