The carrier concentration is found in the 3rd column of each of case.trace, case.condtens and case.halltens files. It is in units of carriers/unitcell. Positive values correspond to a net hole concentration and negative values for electrons. <div>
<br></div><div>To plot S versus rho, you will need to extract the rows corresponding to a given temperature, and plot the respective S tensor columns (13-21) in case.condten with column 3. You can scale column 3 by the unit cell volume given in case.outputtrans to get units of carrier/volume.<br>
<div><br></div><div>Greg</div><div><br><br><div class="gmail_quote">On Mon, Feb 6, 2012 at 5:41 AM, Swetarekha Ram <span dir="ltr"><<a href="mailto:swetarekharam@gmail.com" target="_blank">swetarekharam@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Prof. Blaha and Wien2k users,<br>
<br>
I am using Bolztrap code newly. I have ran the calculation and I<br>
got the output also.<br>
But I have some doubt, to extract data.<br>
I want to plot the graph between Thermo power(S) and hole<br>
concentration (p (holes/cm^3)).<br>
<br>
How can I find the hole concentration of my compound.<br>
From which file I can extract the hole concentration ?<br>
<br>
I tried to get the hole concentration and i extracted the same from<br>
the (sigma/tao) in case.condtens file. But I am not getting the same<br>
plots like the ref. [PRB 83,233206(2011)]. To extract the hole<br>
concentration do we have to take some energy range? I want to know,<br>
where I am wrong ?<br>
In this point I just want proper explanation.<br>
Can any one help me?<br>
Previously I sent my doubt, but i did not get any reply. Please kindly reply.<br>
Thanks in advance.<br>
<span><font color="#888888"><br>
--<br>
Swetarekha Ram,<br>
Research Scholar,<br>
Dept. of Physics,<br>
IIT Hyderabad.<br>
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