I am facing this problem while calculating the thermoelastic properties of a compound. I used Boltztrap code in quantum espresso. Is there any solution?
Hello Md. Tanvir Hossain.
Nowadays, the method that used qe2boltz.py is outdated. You can follow the methods to install Boltztrap2 as follow:
https://youtu.be/lN_QLQmK7kQ?si=AFOW6Rep37_dDM5-
Watch all playlist, there are a few calculations that you can replicate.
Best regards,
Ricardo Tadeu
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