[Pw_forum] Electronic thermal conductivity

[lfhuang]

Dear Tapas Kar:
    In my opinion, you may need some analytical derivation after DFT calculations. I have calculated the semiclassical transport properties of the electrons in graphene. First, I calculated the band structure and electron-phonon interactions by PWSCF, and then I derived the transport properties using Boltzmann equation. Because the band structure of graphene is not complicated, it is not hard for me to understand the physics and calculate the transport properties. May these can be helpful to you. In addition, please put your own affiliation at the bottom of you email, because that is a netiquette.
Best Wishes!
L. F. Huang
> Date: Wed, 24 Jun 2009 14:40:44 -0600
> From: Tapas Kar 
> Subject: [Pw_forum] Electronic thermal conductivity
> To: "pw_forum at pwscf.org" 
> Message-ID:
> 	
> Content-Type: text/plain; charset="us-ascii"
> 
> Hello,
> I want to estimate "Electronic thermal conductivity" or electronic contribution to thermal conductivity of some metallic nanotubes. Any suggestion how to do such calculation using QM-(such as DFT) methods.
> Thanks
> Tapas

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L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
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