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<div class="moz-cite-prefix">Check into whether BoltzTraP (a
separate code from Wien2k) can do what you want, there is a link
to the code on the unsupported page:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/unsupported/">http://www.wien2k.at/reg_user/unsupported/</a><br>
<br>
Also, refer to:<br>
<br>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-February/016178.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-February/016178.html</a><br>
<br>
On 7/5/2012 10:19 AM, Alex Animalu wrote:<br>
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<td style="font: inherit;" valign="top">Dear Wien2k Users,<br>
Pls, I am new to wien2k. I have successfully done a
converged self-consistent calculation for ZrO2. Now, I
need the carrier density (concentration) of the system. I
know that lapw5 calculates <span class="yshortcuts"
id="lw_1341505140_0">charge density</span> and other
information are in *.scf. Please, help me by guiding me to
where I can find the carrier density (in unit of say 10^18
per cm cube) in my output or how to obtain it. <br>
<br>
Thank you very much for your help.</td>
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