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 来自 Outlook<http://aka.ms/weboutlook>

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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 ― Reply to this email directly, view it on GitHub<#8 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/A6AD2GMBYRYPK4TLPSJKBPLZKV253AVCNFSM6AAAAABJDO7J5GVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDEMBZGMZDSNZVGE>. You are receiving this because you commented.Message ID: ***@***.***>