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<p>The general installation steps between previous WIEN2k versions
and the latest WIEN2k 19.1 has not changed.<br>
<br>
1. You still go to the WIEN2k website:
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/index.html">http://susi.theochem.tuwien.ac.at/reg_user/index.html</a><br>
</p>
<p>2. Click on the "Code download (after registration)" link
followed by entering your User Name and Password<br>
</p>
<p>3. Download the new version (WIEN2k_19.1.tar) onto your Linux
system (at the supercomputing center usually to home directory)<br>
</p>
<p>4. Extract the files:</p>
<p> tar -xvf WIEN2k_19.1.tar<br>
gunzip *.gz<br>
</p>
<p>5. Set file execute permission and run the expand script:</p>
<p> chmod +x ./expand_lapw<br>
./expand_lapw<br>
</p>
<p>6. Execute the site configuration script to build WIEN2k:</p>
<p>./siteconfig_lapw</p>
<p>7. Execute the user configuration script to setup the environment
(.bashrc):</p>
<p>./userconfig_lapw<br>
</p>
<p>For additional details, the scripts themselves are self
documenting when you run them and there is information in the
WIEN2k 19.1 usersguide (section "11 Installation and Dimensioning"
starting on page 233) [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ].<br>
</p>
<p>In addition, there should be many posts in the mailing list
archive describing installations of WIEN2k that are searchable,
refer to:<br>
</p>
<p><a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/mailing_list/">http://www.wien2k.at/reg_user/mailing_list/</a><br>
</p>
<p>Three of the many posts as an example that I suggest as reading
and follow as guidance are:<br>
</p>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16627.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16627.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18663.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18663.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html</a>
<p>Since there have been several fixes given for WIEN2k 19.1 in the
mailing list archive, I'm hoping a new release will be coming out
soon. I have fallen behind in maintaining my list, but until
either a new release comes out or I'm get bring it up to date then
some of them are listed at [
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1</a> ].<br>
</p>
<div class="moz-cite-prefix">Some of the other ones I believe I'm
currently missing in my list are:<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19005.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19005.html</a></div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19088.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19088.html</a></div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19103.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19103.html</a><br>
</div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19246.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19246.html</a></div>
<div class="moz-cite-prefix"><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19244.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19244.html</a><br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 12/30/2019 5:54 PM, 杨宇光 wrote:<br>
</div>
<blockquote type="cite"
cite="mid:tencent_3AC23EBC958F00CC4A67AE8C6797F17C6209@qq.com">
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charset=gb18030">
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<div style="font-family: "lucida Grande", Verdana,
"Microsoft YaHei";"><span
style="font-variant-numeric: normal;
font-variant-east-asian: normal; line-height: 21px; widows:
1;"><br>
</span><span style="font-variant-numeric: normal;
font-variant-east-asian: normal; line-height: 1.5; widows:
1;"></span></div>
<div style="font-family: "lucida Grande", Verdana,
"Microsoft YaHei";"><span
style="font-variant-numeric: normal;
font-variant-east-asian: normal; line-height: 1.5; widows:
1;"><font style="line-height: 23.8px;" face="Microsoft YaHei
UI">We are installing Wien2k on the supercomputing
center, </font></span><font style="line-height: 23.8px;"
face="Microsoft YaHei UI">Can you send us detailed
installation documentation for WIEN2k?</font></div>
<div style="font-family: "lucida Grande", Verdana,
"Microsoft YaHei";"><span
style="font-variant-numeric: normal;
font-variant-east-asian: normal; line-height: normal;
widows: 1;">We would be appreciated if you reply us.</span></div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:tencent_3AC23EBC958F00CC4A67AE8C6797F17C6209@qq.com">
</blockquote>
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