<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">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">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">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">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">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">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">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">mohaddeseh.abbasnejad@gmail.com</a><br>
Website: <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a>
<br>
---------------------------------------------------------<br>
</div>
</div>
</div>
</blockquote>
<br>
<blockquote type="cite"></blockquote>
</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">mohaddeseh.abbasnejad@gmail.com</a><br>Website: <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a> <br>---------------------------------------------------------<br><br></div>