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k point
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Topic: k point (Read 2677 times)
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huixiaodemao0712
Regular QuantumATK user
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k point
«
on:
September 5, 2014, 03:03 »
Hi,
What's the difference between the k points in New Calculator and Transmission Spectrum module?
Do they need to be setted as the same value?
My system is a metal-molecule-metal junction.
Thank you~~
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Umberto Martinez
Supreme QuantumATK Wizard
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Re: k point
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Reply #1 on:
September 8, 2014, 16:51 »
check tutorial
http://quantumwise.com/publications/tutorials/item/513-why-are-so-many-k-points-needed-in-the-transport-direction-in-a-device-calculation
and previous forum posts, e.g.
http://quantumwise.com/forum/index.php?topic=2831.0#.VA3B42CSzmE
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