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Messages - kishor

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1
General Questions and Answers / Li adsorbed
« on: January 8, 2015, 04:36 »
i want adsorbed Li on graphene i adsorbed like this
1. I take graphene zigzag nanoribbon
2. take Li (alpha hexogonal)
3. delete one Li atom
4.and move another one on zigzag nanoribbon(hallow site above centre of hexagonal)
5. optimize geometry
6. i get result where Li come on centre of hexagonal
7.is it right process to adsorbed Li on nanoribbon
Ans. please..

2
how to design  boron-nitride (BN) nanoribbons ?

3
General Questions and Answers / Re: graphene supercell
« on: December 18, 2014, 06:15 »
thanx

4
General Questions and Answers / Re: graphene supercell
« on: December 18, 2014, 05:58 »
you are not mention, which video?

5
General Questions and Answers / Re: script for bandgap
« on: December 16, 2014, 08:31 »
i edit script but its does not show anywhere, where does it print  bandgap?

6
General Questions and Answers / Re: bandgap
« on: December 4, 2014, 11:54 »
sorry, i get it made a simple mistake.

7
General Questions and Answers / bandgap
« on: December 4, 2014, 08:41 »
i have take nanosheet n=2,m=2 and and extend in c direction(c=4) and add  stone waal defect  now i have problem regarding its bandgap i dont get proper plot guide me for proper plot. and i also want plot same bandgap for monovacancy, divacancy

8
Installation and License Questions / display
« on: December 2, 2014, 11:56 »
i have install atk but its does not show any atom when i add e.g. graphene , graphite ........ only lattice show atom not

9
Installation and License Questions / licence
« on: November 27, 2014, 10:29 »
i request for 2 time i have not got trial version.

10
General Questions and Answers / graphene hydride
« on: November 26, 2014, 15:50 »
i have problem regading "Opening a large band gap for graphene by covalent addition" supplemetary content design. how to form stucture of graphene  hydride on atk

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