[Wien] Regarding "gather_energy.pl"

[Mohaddeseh Abbasnejad]

Dear Gavin Abo,

Thanks for your help.
I had installed BoltzTraP2 using the pip command.
Now, I installed the code directly and I also modified the "gather_energy.pl"
file using a patch for that.
However, I receive the following error:
user at user-Standard-PC-i440FX-PIIX-1996:~/Malekloo/final-scf$
~/boltztrap-1.2.5/util/gather_energy.pl final-scf -up
cat: 'final-scf.energyup_??': No such file or directory

Any help would be appreciated.

Regards,
Mohaddeseh


On Sat, Aug 14, 2021 at 7:22 PM Gavin Abo <gabo13279 at gmail.com> wrote:

> Are you perhaps referring to the gather_energy.pl in the
> BoltzTraP.tar.bz2 file downloadable at [1] as well as the patch available
> for it at [2]?
> [1]
> https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap/
> [2] https://github.com/gsabo/BoltzTraP-Patches/tree/master/1.2.5
>
>
> On 8/14/2021 8:47 AM, Mohaddeseh Abbasnejad wrote:
>
> Dear experts,
>
> Hello
>
> I have installed WIEN2k version 21.1 successfully.
> However, there is no "gather_energy.pl" file in the installed directory.
> Any help would be appreciated.
>
> Regards,
> Mohaddeseh
>
> --
> ---------------------------------------------------------
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail:     mohaddeseh.abbasnejad at gmail.com
> Website:  academicstaff.uk.ac.ir/moabbasnejad
> ---------------------------------------------------------
>
>
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-- 
---------------------------------------------------------
Mohaddeseh Abbasnejad,
Assistant Professor of Physics,
Faculty of Physics,
Shahid Bahonar University of Kerman,
Kerman, Iran
P.O. Box 76169-133
Tel: +98 34 31322199
Fax: +98 34 33257434
Cellphone: +98 917 731 7514
E-Mail:     mohaddeseh.abbasnejad at gmail.com
Website:  academicstaff.uk.ac.ir/moabbasnejad
---------------------------------------------------------
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