Siesta

Thermal Conductance or conductivity

Asked by Muhammad Ali

Can we calculate the phonon thermal conductance or conductivity using transiesta?

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Nick Papior
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Best Nick Papior (nickpapior) said : 		#1

Transiesta does not calculate the phonon thermal conductance, however you may use phtrans (tbtrans for phonons) to calculate the phonon conductance, see
http://www.sciencedirect.com/science/article/pii/S001046551630306X in Sec. 4.6.

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Muhammad Ali (muhammad-ali-askari) said : 		#2

Thanks Nick Papior, that solved my question.

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Muhammad Ali (muhammad-ali-askari) said : 		#3

Can we calculate raman spectra using siesta?