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2:19 AM
Kilr^WSloshy the Thawman was here!
 
 
16 hours later…
6:49 PM
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Q: BoltzTraP script works with which python version?

epsilon02fftBoltzTraP code is giving errors in Quantum espresso of indentation and then Typerror: 'Float' object can not be interpreted as an integer. What should I do to run this properly? What should I update or change? Maybe environment of the system is not set, But how to do that?

I don't know anything about BoltzTrap but does it take an input file? If so, can we see the input you are passing to it. Also, it would probably help other users to know what version of Python/Quantum Espresso you are using. The versions could be highly coupled where the program only works with very specific combination. This page gives some requirements for using BoltzTraP2 so you may even need to stop using the original BoltzTraP if the program itself is in disrepair. — Tyberius ♦ yesterday
@Tyberius I was successful in running the code once before. But now I don't know why qe2boltz.py is giving error and not running. Python version is Python 3.9.5, Quantum espresso is v.6.4.1. I really need to solve this, it's important. what should i update? additionally I don't know how to run BoltzTraP2, and i don't know whom to ask how to run it. — epsilon02fft yesterday
Could you provide the full traceback? See "Provide complete tracebacks" at matthewrocklin.com/blog/work/2018/02/28/minimal-bug-reports for some how-to -- that was written for GitHub posts, but the same triple-backtick and python-traceback notation seems to work on SE. (Not sure that wrapping in a "details" tag works, though) — dwhswenson yesterday
Also, you mention something about indentation. Was that TabError: inconsistent use of tabs and spaces in indentation? That would mean that the script was written for Python 2. It will not work with Python 3. — dwhswenson yesterday
@dwhswenson Yeah, I am guessing this so. So what should I do? install python 2 version, but exactly which version. Yes firstly I was getting indentation error in one line, i changed it then it started giving type error for float for 2 other lines. — epsilon02fft 15 hours ago
I think any Pyhthon 2 version should be okay! We have a "python based matter modeling chat" room if you have further questions about that. — Nike Dattani 13 hours ago
@epsilon02fft Python2.7 is generally the only version of Python2 still in use. Just be aware that Python2 has been unsupported since 2020, so that's possibly another indication that you should try to move to BoltzTraP2.
 
7:25 PM
Okay I should learn to use BoltzTraP2. It works with python2.
 

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