Hello everyone,
I am trying to install boltztrap with a quantum espresso interface for doing thermoelectric properties. For this I have gone through various Boltztrap tutorial. I have successfully install BoltzTrap with the required libraries but when I run the python3 (latest version) qeboltz.py script there is error come to picture like:
File "/home/sahildani/Documents/boltztrap/boltztrap-1.2.5/util/qe2boltz.py", line 114
spin = True
^
TabError: inconsistent use of tabs and spaces in indentation
I tried various methods to remove the error but was not able to sort it out.
And not only this if I use python (earlier version) I got error like:
Traceback (most recent call last):
File "/home/sahildani/Documents/boltztrap/boltztrap-1.2.5/util/qe2boltz.py", line 253, in
sys.exit(main())
File "/home/sahildani/Documents/boltztrap/boltztrap-1.2.5/util/qe2boltz.py", line 127, in main
nelec -= 2 * nbnd_exclude
UnboundLocalError: local variable 'nelec' referenced before assignment
I request you to help me in sorting either type of error so that I can proceed with my work on thermoelectric property.
Thank you
Renu Sangwan
see this
https://wien.zeus.theochem.tuwien.ac.narkive.com/cYhEMV6k/about-boltz-trap-installation
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