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Electron temperature
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Topic: Electron temperature (Read 2757 times)
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yusciky
New QuantumATK user
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Electron temperature
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on:
February 29, 2016, 21:51 »
Does "electron temperature" in New Calculator mean molecular dynamics simulations or does it mean that the structures were relaxed from high temperatures or else?
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Jess Wellendorff
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Re: Electron temperature
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Reply #1 on:
March 1, 2016, 08:49 »
Electron temperature relates to smearing of the electronic occupations around the Fermi level. A few references:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.numericalaccuracyparameters.html
http://www.doitpoms.ac.uk/tlplib/semiconductors/fermi.php
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