Open siavash34 opened 2 months ago
Hi Siavash,
I meet the same issue. did you find solution to it?
Best, Tao
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
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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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