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<div class="moz-cite-prefix">As far as I know, not with the current
versions (13.1 or later) of Wien2k.<br>
<br>
Maybe with the next release
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10640.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10640.html</a>]?<br>
<br>
Unfortunately, the next version is apparently taking longer than
originally estimated
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10648.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10648.html</a>],
so we are patiently waiting for it to become available.<br>
<br>
However, if you search the internet, you should find that Wien2k
is used in conjunction with the Gibbs software
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10641.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10641.html</a>].<br>
<br>
If you see the Gibb2 documentation
[<a class="moz-txt-link-freetext" href="http://azufre.quimica.uniovi.es/software.html#gibbs2">http://azufre.quimica.uniovi.es/software.html#gibbs2</a>], you can
see that it has:<br>
<br>
------------------------------------------------------------------------<br>
The calculated properties are:<br>
...<br>
11:Cv(J/molK) <b>Constant volume heat capacity</b>, Cv =
(dU/dT)_V = Cv_vib + Cv_el +...<br>
...<br>
19:Cp(J/molK) <b>Constant pressure heat capacity</b>, Cp =
(dH/dT)_p = C_v * (1+ alpha * gamma * T).
<br>
------------------------------------------------------------------------<br>
<br>
On 7/25/2014 2:35 AM, MAHDI SALMANI HIRMAND wrote:<br>
</div>
<blockquote
cite="mid:1406277318.39777.YahooMailBasic@web161405.mail.bf1.yahoo.com"
type="cite">
<pre wrap="">Dear Prof. Blaha,
Is it possible to calculate Heat Capacity at constant pressure or volume with WIEN2k package?
Your's,
Mahdi</pre>
</blockquote>
<br>
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