Issue running with the latest version of phonopy

[siavash34]

Dear Yuji

I installed the latest version and try to run the following command for the example on file and an example of my own: upho_weights band.conf

I then proceed to get the following (I have copied all for completeness):

/home/sam/.local/bin/upho_weights band.conf UPHO version. 0.6.6

dict_input: {'force_constants': 'FORCE_CONSTANTS', 'projection': 'eigenvectors', 'run_mode': 'band', 'star': 'sym', 'structure': 'POSCAR', 'structure_ideal': 'POSCAR_ideal'}

run_mode: band star: sym projection: eigenvectors fc_filename: FORCE_CONSTANTS supercell_matrix: [[2 0 0] [0 2 0] [0 0 2]] primitive_matrix: [[0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] Traceback (most recent call last): File "/home/sam/.local/bin/upho_weights", line 252, in main() File "/home/sam/.local/bin/upho_weights", line 152, in main phonon = PhonopyUnfolding(unitcell, File "/home/sam/.local/lib/python3.10/site-packages/upho/api_unfolding.py", line 60, in init self._build_supercell() File "/home/sam/Downloads/Codes/phonopy/phonopy/api_phonopy.py", line 3809, in _build_supercell is_old_style=(not self._use_SNF_supercell), AttributeError: 'PhonopyUnfolding' object has no attribute '_use_SNF_supercell'

I do not know what the issue is but I assume it has something to do with the newer version of phonopy. I was wondering if you could guide me as to what I am able to do to resolve this.

Best Siavash Karbasizadeh

[JTaozhang]

Hi Siavash,

I meet the same issue. did you find solution to it?

Best, Tao

[siavash34]

Hi Siavash,

I meet the same issue. did you find solution to it?

Best, Tao

Hi Tao

I did resolve this by hashtaging out line 60 of the script api_unfolding.py "self._build_supercell()". I ran tests after and everything seems to work perfectly without the previous error.

Best Siavash

[JTaozhang]

Hi Siavash,

Thanks for your help. I will try your method to do the unfolding again.

Best, Tao

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发件人: siavash34 @.> 发送时间: 2024年7月5日 0:37 收件人: yuzie007/upho @.> 抄送: JTaozhang @.>; Comment @.> 主题: Re: [yuzie007/upho] Issue running with the latest version of phonopy (Issue #8)

Hi Siavash,

I meet the same issue. did you find solution to it?

Best, Tao

Hi Tao

I did resolve this by hashtaging out line 60 of the script api_unfolding.py "self._build_supercell()". I ran tests after and everything seems to work perfectly without the previous error.

Best Siavash

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