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<p>Maybe you are using an old WIEN2k version, the "x: Command not
found" happened a lot in an older WIEN2k version.</p>
<p><br>
</p>
<p>To have the least problems with IRelast, you may want to consider
upgrading to latest WIEN2k (currently, 21.1) using Intel oneAPI
for the compiler. If you use WIEN2k 21.1 with the gfortran
compiler, you will likely need the calLa_Pre_elast.patch [1].</p>
<p><br>
</p>
<p>If you are having to use an old WIEN2k version. Some old maybe
inaccurate notes of mine that may or may not help are:<br>
</p>
<p><br>
</p>
<p>In the WIEN2k 19.2 directory of SRC_IRelast/script-elastic, must:
chmod +x *<br>
<br>
Also in $WIENROOT must: chmod +x initIR_lapw<br>
<br>
The SRC_IRelast/script-elastic/initIR_lapw must be renamed or
moved so that it does not override the one in $WIENROOT.<br>
</p>
<p><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><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/6/2022 2:39 AM, AJAY SINGH VERMA
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:OSZP286MB1013819FF4CD75D92C8B5FDDE27E9@OSZP286MB1013.JPNP286.PROD.OUTLOOK.COM">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Dear all,</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
While running elastic constant of cubic TiC, this is the error
encountered <br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
root/Wien2k/SRC_IRelast/script-elastic/x: Command not found.
<div> \n stop error \n </div>
<div>clmextrapol_lapw did not extrapolate new density because of
missing TiC.rsp</div>
<div>head: cannot open 'TiC.inm' for reading: No such file or
directory</div>
<div>head: cannot open 'TiC.inm' for reading: No such file or
directory</div>
<div>no TiC.clmsum(_old) file found, which is necessary for
lapw0 !</div>
<div>grep: *scf1*: No such file or directory</div>
<div>grep: lapw2*.error: No such file or directory</div>
<div><br>
</div>
<div>> stop error</div>
<div>-----------------------------------------------------</div>
<div> </div>
<div>ERROR status in Styp3_-2.0</div>
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
I have tried earlier given solutions (below) but cant remove
error.<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<pre style="margin:0em"><ol><li><span> chmod +x *</span></li><li style="display:block"><span>
</span></li><li><span> </span>"Please move (not copy) initIR_lapw from SRC_IRelast/script-elastic to WIEN2k <span><pre>directory and then run it again."</pre></span><span></span></li><li><span> giving path in initIR_lapw</span></li></ol><div>
</div><div>Kindly help.
</div></pre>
</div>
</blockquote>
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