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Can SeqQuest perform phonon calculations?
Closed | Responses: 0
I was wondering if SeqQuest can do phonon calculations? If not, then is it being planned?
IMA 2013 UQ: DFT-based Thermal Properties: Three Levels of Error Management
02 Apr 2014 | Online Presentations | Contributor(s): Kurt Lejaeghere
It is often computationally expensive to predict finite-temperature properties of a crystal from density-functional theory (DFT). The temperature-dependent thermal expansion coefficient α, for...
evanscent modes considered?
Does the simulation also include evanescent modes? (the “device” section is finite, evanescent waves should be able to couple transmission modes in the leads, right?)