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Author Topic: External potential  (Read 3147 times)

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Offline Kengo

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External potential
« on: December 15, 2016, 08:42 »
Hello,

I have a question for external potential module.
I calculated external potential(Vext) of  carbon nanotubes like attached picture
by DET code(GGA). However,  the value of Vext is 0eV at all area.
Please tell me why potential value from carbon atoms became 0eV?

Thanks in advance
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Offline Petr Khomyakov

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Re: External potential
« Reply #1 on: December 15, 2016, 10:37 »
Could you enclose the ATK python script and log file for your calculation?
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Offline Kengo

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Re: External potential
« Reply #2 on: December 15, 2016, 10:45 »

Thank you for your quick reply.
I attached calculation file.
please confirm it.
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Offline Petr Khomyakov

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Re: External potential
« Reply #3 on: December 15, 2016, 12:59 »
Please have a look at Notes about the external potential in ATK in the manual at http://docs.quantumwise.com/manuals/Types/ExternalPotential/ExternalPotential.html. Why would you expect any non-zero external potential for your bulk system? It has no electrodes and no gates.   
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