<meta http-equiv="CONTENT-TYPE" content="text/html; charset=utf-8"><title></title><meta name="GENERATOR" content="OpenOffice.org 1.9.129 (Linux)"><meta name="CREATED" content="20070122;15040900"><meta name="CHANGED" content="20070122;16322900"> <style> <!-- @page { size: 21cm 29.7cm; margin: 2cm } P { margin-bottom: 0.21cm } --> </style> <div style="margin-bottom: 0cm;"><font face="Nimbus Roman No9 L, serif"><font size="3">Dear Madsen, </font></font> </div> <div style="margin-bottom: 0cm;" align="left"><font face="Nimbus Roman No9 L, serif"><font size="3">Thank you for your offering the code of BoltzTraP. I am <br> a new user of BoltzTraP, I have two questions about it:</font></font></div> <div style="margin-bottom: 0cm;" align="left"><font face="Nimbus Roman No9 L, serif"><font size="3">No. 1 I use BoltzTraP to calculate the Seebeck coefficient of <br> a binary compound. The <font size="3">n-type </font>Seebeck coefficient <br> coincide with the
experimental results at the <br> appropriate experimental range of <font size="3">carrier concentration</font>, <br> but the <font size="3">p-typ </font>Seebeck value is larger than the experimental<br> results at about 100 uV/K in the whole effective carrier<br> concentration. I also test the LPFAC, I found that I got the<br> same Seebeck <font size="3">coefficient</font><font color="#000000"> if I set LPFAC=5 and 30. The<br> conduction band of my sample is similar with the parabolic<br> band but the valence band is not the parabolic band, can we<br> get the Seebeck coefficient that is similar with the<br> experimental result only from parabolic band structure? Are<br> there other reasons of the difference between the<br> computed and experimental Seebeck coefficient?</font></font></font></div> <div style="margin-bottom: 0cm;" align="left" lang="zh-CN"><br> </div> <div style="margin-bottom: 0cm;" align="left"><font
face="Nimbus Roman No9 L, serif"><font size="3">No.2 In the paper of Computer Physics Communications 175<br> (2006) 67–71, you listed the picture of integrand factor<br> ∂f/∂ε, (ε-<font face="方正舒体">μ)</font> ∂f/∂ε, (ε-<font face="方正舒体">μ)</font> <sup>2</sup>∂f/∂ε. How can I get these values from<br> the BoltzTraP code?<br> <br> </font></font></div> <div style="margin-bottom: 0cm;" align="left"><font face="Nimbus Roman No9 L, serif"><font size="3">Thanks in advance</font></font></div> <div style="margin-bottom: 0cm;" align="left" lang="zh-CN"><font face="Nimbus Roman No9 L, serif"><font size="3">Best wishes<br> Steven Dixon <br> </font></font></div><p> 
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