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<p><font face="Times New Roman">It is of course recommended to use
the latest WIEN2k version because of the bugs found since WIEN2k
13.1 [ <a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ].<br>
</font></p>
<p><font face="Times New Roman">If you want to leave the code
untouched, you could try changing the EDITOR line in your
.bashrc file (note: remember to open and use a new terminal so
that it loads and uses the new .bashrc settings). For example,
you might have something like:</font></p>
<p><font face="Times New Roman">export EDITOR="gedit"</font></p>
<p><font face="Times New Roman">You could change that line to:</font></p>
<p><font face="Times New Roman">export EDITOR=""</font></p>
<p><font face="Times New Roman">However, this would give you an
error messages like:</font></p>
<p><font face="Times New Roman">case.inso: Permission denied.</font></p>
<p><font face="Times New Roman">You could also change that line to:</font></p>
<p><font face="Times New Roman">export EDITOR="noeditor"</font></p>
<p><font face="Times New Roman">This should output error messages
like:</font></p>
<p><font face="Times New Roman">noeditor: Command not found.<br>
</font></p>
<p><font face="Times New Roman">So you would have to chose which
error message you prefer to see. Since you wouldn't be
interacting with an editor when using a job script, you could
just ignore those error messages.</font></p>
<p><font face="Times New Roman">If you don't want the error
messages, you would have to edit the scripts. In SRC/make_inso_lapw
of WIEN2k 13.1, on line 191, you should see:<br>
</font></p>
<p><font face="Times New Roman">editor $file.inso<br>
</font></p>
<p>You could comment it out by changing the line to:</p>
<p><font face="Times New Roman">#editor $file.inso</font></p>
<p><font face="Times New Roman">Similarly, line 195:<br>
</font></p>
<p><font face="Times New Roman"></font>#editor $filein1<br>
</p>
In SRC/initso_lapw, line 196:<br>
<br>
#editor $file.outsymso<br>
<br>
Line 234 and 266:<br>
<br>
#editor $file.klist<br>
<br>
Instead of using comment symbols (#), a better way may be to do
something like:<br>
<br>
set editorstate = 0 # 0: Set editor OFF, 1: set editor ON<br>
<br>
<font face="Times New Roman">if ($</font><font face="Times New
Roman">editorstate) editor $file.inso<br>
<br>
However, I cannot test or describe all the changes right now for
what would be needed for using this alternate set and if statement
approach.<br>
</font><br>
<div class="moz-cite-prefix">On 9/18/2017 5:57 PM, venkatesh
chandragiri wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CACS+pXPQwSK2empKW=3z6iXS0Y0wPK2K7ujD9Qss89v8BG8zdA@mail.gmail.com">
<div dir="ltr">
<div>Dear Prof. Gavin, </div>
<div><br>
</div>
<div>Thank you again for the script to create the input for
initso_lapw and it works fine now. However, the initso_lapw
is asking to edit the following files.</div>
<div><br>
</div>
<div>1. case.inso</div>
<div><br>
</div>
<div>2. case.in1</div>
<div><br>
</div>
<div>3. case.outsymso</div>
<div><br>
</div>
<div>4. case.klist</div>
<div><br>
</div>
<div>Hence, kindly let me know (paste the script lines) to avoid
the editing of those above files and continue the initso_lapw
in background itself.</div>
<div><br>
</div>
<div>thank you and looking forward to your reply.</div>
<div><br>
</div>
<div>with best regards,</div>
<div><br>
</div>
<div>venkatesh</div>
</div>
</blockquote>
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