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MOS2 nanotube
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Topic: MOS2 nanotube (Read 3718 times)
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saeed
Regular QuantumATK user
Posts: 7
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MOS2 nanotube
«
on:
June 9, 2016, 02:53 »
Dear QW users ,
I want to build a MoS2 nanotube , I do exactly like the tutorial on youtube but the result is not like that video !
Can you please let me know what the problem is ?
Thanks in advance .
Regards,
Saeed.
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Ulrik G. Vej-Hansen
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: MOS2 nanotube
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Reply #1 on:
June 9, 2016, 08:35 »
Please provide the script and a picture of your result, then we are in much better position to help you.
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saeed
Regular QuantumATK user
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Re: MOS2 nanotube
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Reply #2 on:
June 13, 2016, 06:09 »
Hi .
Thanks for your reply .
Actually I did exactly like the tutorial on youtube .
I have attached the result with this message .
Thanks for your attention.
Regards,
Saeed.
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zh
Supreme QuantumATK Wizard
Posts: 1141
Reputation: 24
Re: MOS2 nanotube
«
Reply #3 on:
June 13, 2016, 10:28 »
You may miss one step, i.e., the transformation of a hexagonal unit cell to an orthorhombic cell.
In order to wrap an atomic sheet into a tube, it is better to first expand such sheet in an orthorhombic cell.
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saeed
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Re: MOS2 nanotube and slab
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Reply #4 on:
June 15, 2016, 09:56 »
Hi .
Thanks for your reply .
Fortunately I could do that !
I also need to have MOS2 slab .
Can you please do me a favor and let me know how I can build it ?
(Some hints are enough !)
Thanks a lot .
regards,
Saeed.
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zh
Supreme QuantumATK Wizard
Posts: 1141
Reputation: 24
Re: MOS2 nanotube
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Reply #5 on:
June 15, 2016, 10:10 »
Have you follow the steps listed in the following tutorial to construct the MoS2 slab and tube?:
http://quantumwise.com/publications/tutorials/item/100-mos2-nanotubes
In the 5th step of Instructions in the above link, it shows how to do the transformation from hexagonal unit cell to an orthorhombic supercell.
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