
Can SeqQuest perform phonon calculations?
Closed  Responses: 1
I was wondering if SeqQuest can do phonon calculations? If not, then is it being planned?
Thanks
amit
http://nanohub.org/answers/question/1711

IMA 2013 UQ: DFTbased Thermal Properties: Three Levels of Error Management
02 Apr 2014   Contributor(s):: Kurt Lejaeghere
It is often computationally expensive to predict finitetemperature properties of a crystal from densityfunctional theory (DFT). The temperaturedependent thermal expansion coefficient α, for example, is calculated from the phonon spectrum, and the melting temperature Tm can only be obtained...

evanscent modes considered?
Closed  Responses: 0
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?)
http://nanohub.org/answers/question/1329

Debanjan Basu
http://nanohub.org/members/78136

Heeyuen Koh
http://nanohub.org/members/56621