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Could ATK calculate the "electron density changed with the bias"
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Topic: Could ATK calculate the "electron density changed with the bias" (Read 3918 times)
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fangyongxinxi
QuantumATK Guru
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Could ATK calculate the "electron density changed with the bias"
«
on:
May 16, 2010, 17:20 »
Dear Sir,
could we calculate the "electron density drop" as we did in "voltagedrop" by doing
calculateElectronDensity(finitebias)-calculateElectronDensity(zerobias)
because I hope to know the electron density change with the bias.
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fangyongxinxi
QuantumATK Guru
Posts: 143
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Re: Could ATK calculate the "electron density changed with the bias"
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Reply #1 on:
May 16, 2010, 17:45 »
like the difference density which was mentioned here
http://quantumwise.com/forum/index.php?topic=21.0
see the attach
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Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: Could ATK calculate the "electron density changed with the bias"
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Reply #2 on:
May 16, 2010, 22:44 »
Yes, this is certainly possible. There is a minor snag, however. The density object returned from "calculateElectronDensity" does not support the "minus" operation. You can easily get around this, however, with some clever scripting. A solution for this was posted in
http://quantumwise.com/forum/index.php?topic=2.0
.
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Could ATK calculate the "electron density changed with the bias"