Thermal Conductance or conductivity

Asked by Muhammad Ali on 2017-03-07

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

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
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Solved by:
Nick Papior
Solved:
2017-03-07
Last query:
2017-03-07
Last reply:
2017-03-07
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.

Thanks Nick Papior, that solved my question.

Can we calculate raman spectra using siesta?