can we calculate thermal conductivity for unit cells ?

[DR.HARSHA]

I want thermal conductivity for al2o3, can we do it in VNL or is it possible at all, but i have seen it for carbon nano tubes, an single atoms. It is just a doubt, if any one knows any information plz let me know.

[Jess Wellendorff]

I guess you would do it using a DeviceConfiguration to compute the PhononTransmissionSpectrum, similar to what is done for nanotubes in a tutorial: http://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html