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<p>I believe NLO is Bernd Olejnik's personal code package (an
extension package for WIEN2k). You would have to contact Bernd to
get it. The email address to request it is on the first slide in:<br>
</p>
<p><a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/events/ws2003/downloads/ws2003_olejnik.pdf">http://susi.theochem.tuwien.ac.at/events/ws2003/downloads/ws2003_olejnik.pdf</a><br>
</p>
<p>However, I don't know if the email address works. You would have
to try it. If the email address doesn't work, then it might not
be possible to get the code anymore.<br>
</p>
<p>Dr. C. Ambrosch-Draxl also has a Nonlinear Optic package
(nlo.tar) for WIEN2k. It is not well-documented, and I think it
might not have worked with WIEN2k 14.2 without having to modify
the code. So it is probably too outdated to work with WIEN2k
17.1. If your interested in it, try contacting Ambrosch-Draxl:</p>
<p><a class="moz-txt-link-freetext" href="https://sol.physik.hu-berlin.de/index.php?page=claudia-draxl">https://sol.physik.hu-berlin.de/index.php?page=claudia-draxl</a></p>
<p>If her group is interested in sharing it, they might put it on
the exciting webpage [ <a class="moz-txt-link-freetext" href="http://exciting-code.org/other-developments">http://exciting-code.org/other-developments</a>
] like ATAT@WIEN2k.<br>
</p>
<p>If I recall correctly, both nlo.tar and the SRC_optic package for
WIEN2k were original developed by Ambrosch-Draxl's student Dr.
Sharma. I believe Dr. Sharma contributes instead to the Elk code
now [ <a class="moz-txt-link-freetext" href="http://elk.sourceforge.net/">http://elk.sourceforge.net/</a> ]. Under Miscellaneous on the
Elk website, you should see "Non-linear optical (NLO) second
harmonic generation". So Elk likely has a more mature NLO
package. I don't know if the Elk NLO package could be adopted for
or interfaced with WIEN2k. Dr. Sharma could probably better
answer that. She could likely be reached by the contact
information on her website [ <a class="moz-txt-link-freetext" href="http://www1.mpi-halle.mpg.de/~sharma/">http://www1.mpi-halle.mpg.de/~sharma/</a>
] or in the Elk forums [ <a class="moz-txt-link-freetext" href="https://sourceforge.net/p/elk/discussion/">https://sourceforge.net/p/elk/discussion/</a>
].<br>
</p>
<div class="moz-cite-prefix">On 4/26/2018 8:35 PM, Qiaoling Xu
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CABQ7WLXCR3BT84doG7ORc1TsWa0D10+3ZmqteyCJ159w699oyA@mail.gmail.com">
<div dir="ltr">
<p class="MsoNormal" style="margin:0cm 0cm
0.0001pt;text-align:justify;font-size:10.5pt;font-family:DengXian"><b><span
lang="EN-US">Dear all,<span></span></span></b></p>
<p class="MsoNormal" style="margin:0cm 0cm
0.0001pt;text-align:justify;font-size:10.5pt;font-family:DengXian"><span
lang="EN-US"><span> </span></span></p>
<p class="MsoNormal" style="margin:0cm 0cm
0.0001pt;text-align:justify;font-size:10.5pt;font-family:DengXian"><b><span
lang="EN-US">I am using wien version 17.1 to calculate the
second harmonic
generation (SHG) with the guidance of the 9th WIEN
Workshop about </span></b><b><span>“<span lang="EN-US">NLO
within WIEN2k</span>”<span lang="EN-US"> in 2003.
I do not know how to use the </span>“<span
lang="EN-US">new</span>”<span lang="EN-US"> modules of
nlo_core, nol_tet, and nlo_KK and not found these
modules
in the manual. I would like to gently ask the
computational details about how
to calculate the SHG using the wien2k.<span></span></span></span></b></p>
<br>
<div><br>
</div>
<div><br>
</div>
<div>
<p class="MsoNormal" style="margin:0cm 0cm
0.0001pt;text-align:justify;font-size:10.5pt;font-family:DengXian"><b><span
lang="EN-US">Best,<span></span></span></b></p>
<p class="MsoNormal" style="margin:0cm 0cm
0.0001pt;text-align:justify;font-size:10.5pt;font-family:DengXian"><b><span
lang="EN-US">Q. Xu</span></b></p>
</div>
</div>
</blockquote>
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