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<p>As far as I currently know, no one has implemented a lattice
thermal conductivity calculation for WIEN2k and made software for
it available in the public domain yet.</p>
<p>Though, it has been done with other DFT software such as VASP [1]
and Quantum Espresso (QE) [2,3] by interfacing it with software
such as phono3py [4]. Unfortunately, it likely is not implemented
in phono3py as mentioned at [5-7]. As given in [8], there is
ALAMODE, PhonTS, and ShengBTE. ShengBTE lists VASP and QE but not
WIEN2k at [9]. PhonTS also lists VASP and QE but not WIEN2k at
[10]. The ALAMODE 1.0.2 documentation [11] has on page 3:<br>
</p>
<p><i>In addition to the above requirements, users have to get and
install a first-principles package (such as VASP, <font
color="#ff0000">Wien2k</font>,QUANTUM-ESPRESSO, or xTAPP) or
another force field package (such as LAMMPS) by themselves in
order to compute harmonic and anharmonic force constants.</i><br>
</p>
<p>However, if you look at the latest documentation [12] (for
currently version 1.1.0) it no longer lists WIEN2k, just:<br>
</p>
<p><i>Interface to VASP, Quantum-ESPRESSO, xTAPP, and LAMMPS codes</i><br>
</p>
[1] <a class="moz-txt-link-freetext" href="https://www.vasp.at/">https://www.vasp.at/</a><br>
[2] <a class="moz-txt-link-freetext" href="https://www.quantum-espresso.org/">https://www.quantum-espresso.org/</a><br>
[3] <a class="doi"
href="https://doi.org/10.1016/j.rinp.2018.06.053" target="_blank"
rel="noreferrer noopener" aria-label="Persistent link using
digital object identifier" title="Persistent link using digital
object identifier">https://doi.org/10.1016/j.rinp.2018.06.053</a><br>
[4] <a class="moz-txt-link-freetext" href="https://phonopy.github.io/phono3py/interfaces.html">https://phonopy.github.io/phono3py/interfaces.html</a><br>
[5] <a class="moz-txt-link-freetext" href="https://sourceforge.net/p/phonopy/mailman/message/35680830/">https://sourceforge.net/p/phonopy/mailman/message/35680830/</a><br>
[6] <a class="moz-txt-link-freetext" href="https://sourceforge.net/p/phonopy/mailman/message/35579734/">https://sourceforge.net/p/phonopy/mailman/message/35579734/</a><br>
[7] <a class="moz-txt-link-freetext" href="https://sourceforge.net/p/phonopy/mailman/message/37091926/">https://sourceforge.net/p/phonopy/mailman/message/37091926/</a><br>
[8] <a class="moz-txt-link-freetext" href="https://arxiv.org/abs/1704.04142v1">https://arxiv.org/abs/1704.04142v1</a><br>
[9] <a class="moz-txt-link-freetext" href="http://www.shengbte.org/">http://www.shengbte.org/</a><br>
[10] <a class="moz-txt-link-freetext" href="https://phonts.mse.ufl.edu/">https://phonts.mse.ufl.edu/</a><br>
[11] <a class="moz-txt-link-freetext" href="https://alamode.readthedocs.io/_/downloads/en/v.1.0.2/pdf/">https://alamode.readthedocs.io/_/downloads/en/v.1.0.2/pdf/</a><br>
[12] <a class="moz-txt-link-freetext" href="https://alamode.readthedocs.io/en/latest/intro.html#features">https://alamode.readthedocs.io/en/latest/intro.html#features</a><br>
<div class="moz-cite-prefix"><br>
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<div class="moz-cite-prefix">On 8/23/2020 11:03 AM, Peeyush Kumar
Kamlesh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CA+o1xQfWvg4Vy0i059Mb=Z9NUt+76dgGL67HK1DS10DQ+xdWNA@mail.gmail.com">
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<div>Hello everyone!</div>
<div>Greetings of the day!</div>
<div>Please suggest any package by which I can calculate lattice
thermal conductivity using WIEN2k.</div>
<div><br>
</div>
<div>best regards<br>
</div>
</div>
</blockquote>
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