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<p>I haven't used gather_energy.pl in quite some time so I don't
remember its exact usage. However, it appears that your folder is
missing files from a parallel spin polarized without spin orbit
calculation that should be something like final-scf.energyup_01, <font
color="#ff0000"><font color="#000000">final-scf.energyup_02,
etc.</font><br>
</font></p>
<div class="moz-cite-prefix">On 8/14/2021 9:51 AM, Mohaddeseh
Abbasnejad wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAApze+S0Y4SVE_T0fsYGdvyNNr2hUiezMc9jVA=Y6Kf67Xo6dw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear Gavin Abo,<br>
<div><br>
</div>
<div>Thanks for your help.</div>
<div>I had installed BoltzTraP2 using the pip command.</div>
<div>Now, I installed the code directly and I also modified the
"<a href="http://gather_energy.pl" moz-do-not-send="true">gather_energy.pl</a>"
file using a patch for that.</div>
<div>However, I receive the following error:<br>
<font color="#ff0000">user@user-Standard-PC-i440FX-PIIX-1996:~/Malekloo/final-scf$
~/boltztrap-1.2.5/util/<a href="http://gather_energy.pl"
moz-do-not-send="true">gather_energy.pl</a> final-scf -up<br>
cat: 'final-scf.energyup_??': No such file or directory</font><br>
</div>
<div><br>
</div>
<div>Any help would be appreciated.</div>
<div><br>
</div>
<div>Regards,</div>
<div>Mohaddeseh</div>
<div><br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sat, Aug 14, 2021 at 7:22
PM Gavin Abo <<a href="mailto:gabo13279@gmail.com"
moz-do-not-send="true">gabo13279@gmail.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>Are you perhaps referring to the <a
href="http://gather_energy.pl" target="_blank"
moz-do-not-send="true">gather_energy.pl</a> in the
BoltzTraP.tar.bz2 file downloadable at [1] as well as the
patch available for it at [2]?<br>
</p>
[1]
<a
href="https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap/"
target="_blank" moz-do-not-send="true">https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap/</a><br>
[2] <a
href="https://github.com/gsabo/BoltzTraP-Patches/tree/master/1.2.5"
target="_blank" moz-do-not-send="true">https://github.com/gsabo/BoltzTraP-Patches/tree/master/1.2.5</a>
<p><br>
</p>
<div>On 8/14/2021 8:47 AM, Mohaddeseh Abbasnejad wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">Dear experts,
<div><br>
</div>
<div>Hello</div>
<div><br>
</div>
<div>I have installed WIEN2k version 21.1 successfully.</div>
<div>However, there is <font face="arial, sans-serif">no
"<span style="color:rgb(25,37,39)"><a
href="http://gather_energy.pl" target="_blank"
moz-do-not-send="true">gather_energy.pl</a>"
file in the installed directory.</span></font></div>
<div><span style="color:rgb(25,37,39)"><font
face="arial, sans-serif">Any help would be
appreciated.</font></span></div>
<div><span style="color:rgb(25,37,39)"><font
face="arial, sans-serif"><br>
</font></span></div>
<div><span style="color:rgb(25,37,39)"><font
face="arial, sans-serif">Regards,</font></span></div>
<div><span style="color:rgb(25,37,39)"><font
face="arial, sans-serif">Mohaddeseh</font></span></div>
<div>
<div><br>
</div>
-- <br>
<div dir="ltr">---------------------------------------------------------<br>
Mohaddeseh Abbasnejad, <br>
Assistant Professor of Physics,<br>
Faculty of Physics, <br>
Shahid Bahonar University of Kerman,<br>
Kerman, Iran<br>
P.O. Box 76169-133<br>
Tel: +98 34 31322199<br>
Fax: +98 34 33257434<br>
Cellphone: +98 917 731 7514<br>
E-Mail: <a
href="mailto:mohaddeseh.abbasnejad@gmail.com"
target="_blank" moz-do-not-send="true">mohaddeseh.abbasnejad@gmail.com</a><br>
Website: <a
href="http://academicstaff.uk.ac.ir/moabbasnejad"
target="_blank" moz-do-not-send="true">academicstaff.uk.ac.ir/moabbasnejad</a>
<br>
---------------------------------------------------------<br>
</div>
</div>
</div>
</blockquote>
<br>
</div>
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</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr" class="gmail_signature">---------------------------------------------------------<br>
Mohaddeseh Abbasnejad, <br>
Assistant Professor of Physics,<br>
Faculty of Physics, <br>
Shahid Bahonar University of Kerman,<br>
Kerman, Iran<br>
P.O. Box 76169-133<br>
Tel: +98 34 31322199<br>
Fax: +98 34 33257434<br>
Cellphone: +98 917 731 7514<br>
E-Mail: <a href="mailto:mohaddeseh.abbasnejad@gmail.com"
target="_blank" moz-do-not-send="true">mohaddeseh.abbasnejad@gmail.com</a><br>
Website: <a href="http://academicstaff.uk.ac.ir/moabbasnejad"
target="_blank" moz-do-not-send="true">academicstaff.uk.ac.ir/moabbasnejad</a>
<br>
---------------------------------------------------------<br>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAApze+S0Y4SVE_T0fsYGdvyNNr2hUiezMc9jVA=Y6Kf67Xo6dw@mail.gmail.com"></blockquote>
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