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<p>At
<a class="moz-txt-link-freetext" href="https://github.com/aoterodelaroza/critic2/blob/master/doc/user-guide.txt">https://github.com/aoterodelaroza/critic2/blob/master/doc/user-guide.txt</a>,
there is:</p>
<p>* meta-GGA: xc(rho,grad,lapl,tau,idx)<br>
</p>
<p>where rho is the electron density expression, grad is its
gradient, lapl is its Laplacian and tau is the kinetic energy
density<br>
</p>
In the WIEN2k 17.1 usersguide, there is on page 62 in the section
"5.1.1 Main execution script (x lapw)":<br>
<br>
-vresp-> runs lapw2/mixer and creates case.vrespval/sum
(TAU/meta-GGA)<br>
<br>
The WIEN2k updates page [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ] has:<br>
<br>
<b>VERSION_16.1: 1.12.2016 </b><br>
<br>
SRC_lapw0: new GGA and meta-GGA functionals <br>
<br>
So maybe the kinetic energy density can be created using the -vresp
switch. However, it looks like it may not be possible with WIEN2k
13.1 as it looks like the meta-GAA was not implemented until WIEN2k
16.1.<br>
<br>
Might as well upgrade to WIEN2k 17.1 if that is the case, or perhaps
to avoid many WIEN2k 17.1 patches [
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1</a> ], wait
until WIEN2k 18 is released [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17501.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17501.html</a>
].<br>
<br>
<div class="moz-cite-prefix">On 6/11/2018 4:56 AM, Bon, Marta wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CE0B9096FCED024D8C1A12955721DF2B44E96985@EE-MBX4.ee.emp-eaw.ch">
<pre wrap="">Tau is the kinetic energy density. It should be possible to print it out with Wien2K (but I don't understand how).
I think with lapw0, but again I am stuck with the preparation of the case.in0 file.
Marta</pre>
</blockquote>
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