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<p>Thanks, I created a command_init_lapw.patch for this, which is
available at [1].</p>
<p>However, to more easily apply it, I used the following three
terminal commands:<br>
</p>
<p><font color="#808080">username@computername:~$</font> cd
$WIENROOT/SRC_IRelast/script-elastic<br>
<font color="#808080">username@computername:~/WIEN2k/SRC_IRelast/script-elastic$</font>
wget
<a class="moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/command_init_lapw.patch">https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/21.1/command_init_lapw.patch</a><br>
<font color="#808080">...<br>
username@computername:~/WIEN2k/SRC_IRelast/script-elastic$</font>
patch -b command_init_lapw command_init_lapw.patch <br>
<font color="#808080">patching file command_init_lapw</font><br>
</p>
<p>In addition, I encountered another small issue with the IRelast
files in WIEN2k_21.1.tar. The fix was simple though, just had to
enter two terminal commands:<br>
</p>
<p>chmod -x $WIENROOT/SRC_IRelast/script-elastic/initIR_lapw<br>
chmod +x $WIENROOT/initIR_lapw<br>
</p>
<p>I made a note of this as well in the README file at [1].<br>
</p>
<p>[1] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/21.1</a><br>
</p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 9/7/2022 8:34 AM, Morteza Jamal via
Wien wrote:<br>
</div>
<blockquote type="cite"
cite="mid:298610271.373549.1662561279368@mail.yahoo.com">
<pre class="moz-quote-pre" wrap="">There are two ways:
1-Repeat your example again and in section Enter Data for auto initialization give L-max 8 otherwise 8.0
2- edit file "auto_init_lapw" and correct L-max as:
initIR_lapw .... -lmax 8
Otherwise
initIR_lapw .....-lmax 8.0
With best,
Morteza
</pre>
</blockquote>
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