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<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Dear Prof. Huang,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Thanks a lot for your reply. I would appreciate reference
and reprint of your grapheme work.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Is it possible to estimate ElecTC for finite size nanotubes,
considering molecular model. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Are molar heat capacity (Cv) and thermal energy of nanotube
(terminated with hydrogen) useful to estimate Elec Thermal conductivity?<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Well, I am a chemist and trying to understand physics of nanocomposites.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>I appreciate your help and suggestion<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Best regards,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Tapas<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Date: Thu, 25 Jun 2009 17:09:26
+0800<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>From: " lfhuang "
<lfhuang@theory.issp.ac.cn><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Subject: Re: [Pw_forum] Electronic
thermal conductivity<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>To: " pw_forum "
<pw_forum@pwscf.org><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Message-ID:
<20090625090926.10753.qmail@ms.hfcas.ac.cn><o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Content-Type: text/plain;
charset="utf-8"<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Dear Tapas Kar:<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'> 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.<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>Best Wishes!<o:p></o:p></span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=2 face=Arial><span
style='font-size:10.0pt;font-family:Arial'>L. F. Huang<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>-----------------------------------------------------------------------------------------------<br>
</span></font>Tapas Kar, Ph. D<o:p></o:p></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>Research Assistant Professor<br>
Department of Chemistry & Biochemistry<br>
<st1:place w:st="on"><st1:PlaceName w:st="on">Utah</st1:PlaceName> <st1:PlaceType
w:st="on">State</st1:PlaceType> <st1:PlaceType w:st="on">University</st1:PlaceType></st1:place><br>
<st1:place w:st="on"><st1:City w:st="on">Logan</st1:City>, <st1:State w:st="on">UT</st1:State>
<st1:PostalCode w:st="on">84322-0300</st1:PostalCode></st1:place></span></font><font
size=4 face="Park Avenue"><span style='font-size:14.0pt;font-family:"Park Avenue"'><o:p></o:p></span></font></p>
<p class=MsoNormal><b><font size=5 face="Park Avenue"><span style='font-size:
16.0pt;font-family:"Park Avenue";font-weight:bold'> <o:p></o:p></span></font></b></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'>Tel: 435-797-7230<br>
Fax: 435-797-3390</span></font><b><font face=Arial><span style='font-family:
Arial;font-weight:bold'><br>
</span></font></b><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Email: <a href="mailto:tapas.kar@usu.edu">tapas.kar@usu.edu</a></span></font><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Web: <a
href="http://www.chem.usu.edu/~tapaskar/">http://www.chem.usu.edu/~tapaskar/</a></span></font><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'> <a
href="http://www.chem.usu.edu/pages/research%20pages/webpages/tapaskar.html">http://www.chem.usu.edu/pages/research%20pages/webpages/tapaskar.html</a></span></font><o:p></o:p></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'> </span><o:p></o:p></font></p>
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12.0pt'><o:p> </o:p></span></font></p>
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