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yuzie007 / upho

Band unfolding for phonons
http://yuzie007.github.io/upho/
MIT License
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NameError: name 'primitive_matrix' is not defined #3

Closed CMPL-KNU closed 3 years ago

CMPL-KNU commented 4 years ago

Dear all,

I've been testing an example in "tests/L21_Cu3Au"

I encountered an error when I type "upho_weights band.conf"

elif primitive_matrix is not None:

NameError: name 'primitive_matrix' is not defined

I checked the previous issue https://github.com/yuzie007/upho/issues/2 and changed the line 52 in api_unfolding.py from "elif primitive_matrix is not None:" to "elif primitive_matrix_ideal is not None:"

It solved the problem.

May I ask the correction is right? Thank you.

Best regards, Sooran Kim

yuzie007 commented 3 years ago

Thank you so much for letting me know the bug of the variable name. I think the correction is right. For the planned latest version (v0.6.2) I will fix the issue.