Error while generating the supercell k-path about bandup

[stepan-tsirkin]

Hi @Gargee-123 ,

following comments under #21 , could you try setting "export LANG=en_US.UTF-8 and export LC_ALL=en_US.UTF-8 in your shell. Would it solve the problem?

[Gargee-123]

Hi Stepan,

I have added "export LANG=en_US.UTF-8 and export LC_ALL=en_US.UTF-8 to my .bashrc and run the BandUP code for generating the SC K-path. I am still getting the error.

===========================================================================

           Pre-processing utility "get_SCKPTS_pre_BandUP"

Getting the SC-KPTS you'll need for your plane-wave calc. <<<

Checking if you are working with the smallest possible SC:
* Your SC seems to be a perfect repetition of a smaller PC!
> That's OK if you really want it, but using the smallest
possible SC will certainly save you some time!
* We attempted to find a possible PC associated with it.
Please take a look at the file "BandUP_suggestion_of_smaller_SC_based_on_your_input_SC.POSCAR".

Checking if working with the smallest possible ref. unit cell:
* OK!

===========================================================================
ERROR!!

The SC and the reference PC that you have chosen are not commensurate!
The choice of the reference PC vectors is very important and can change
a lot the results of unfolding. It is particularly important to always
verify that the SC and the reference PC are commensurate. Otherwise, the
Traceback (most recent call last):
File "/home/au658188/Downloads/bandup-master/bandup", line 73, in
run_requested_task(args)
File "/home/au658188/Downloads/bandup-master/src/python_interface/bandupy/runners.py", line 73, in run_requested_task
run_pre_bandup_tool(args)
File "/home/au658188/Downloads/bandup-master/src/python_interface/bandupy/runners.py", line 53, in run_pre_bandup_tool
for line in iter(bandup_pre_unf_run.stdout.readline, ''):
File "/home/au658188/anaconda3/lib/python3.8/codecs.py", line 322, in decode
(result, consumed) = self._buffer_decode(data, self.errors, final)
UnicodeDecodeError: 'utf-8' codec can't decode byte 0xf0 in position 857: invalid continuation byte

[stepan-tsirkin]

Problem is the same as #27