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, final-scf.energyup_02, etc.
On
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@user-Standard-PC-i440FX-PIIX-1996:~/Malekloo/final-scf$
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]
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
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Mohaddeseh Abbasnejad,
Assistant
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