[Phonopy-users] Need some Help Regarding DFT
Brought to you by:
atztogo
|
From: sajid k. <fd...@gm...> - 2023-03-03 03:34:24
|
Hi everyone, extremely sorry to post here as this a phonopy users group but may be someone respond to my question.... My question is that what is the difference in PBE GGA potential, TB-mBJ and Hybrid YS-PBE0 potential??? Please I am waiting for your kind replies with bundle of thanks. Regards S. Khan On Sat, Feb 25, 2023, 07:12 Atsushi Togo <atz...@gm...> wrote: > Hi, > > Probably we can not support phono3py on windows natively. If you > really want to run it on windows, please use windows subsystem for > linux. > > Togo > > On Sat, Feb 25, 2023 at 7:10 AM Rijan Karkee <rij...@gm...> > wrote: > > > > Dear Developers, > > > > I installed phonopy successfully but while installing phono3py, I am > getting this error and I do not know how can I fix this problem. > > I used the steps as discussed in > > Installation instruction of latest development version of phono3py: > > > > > > note: This error originates from a subprocess, and is likely not a > problem with pip. > > full command: 'C:\Users\rijan\anaconda3\envs\phono3py\python.exe' > 'C:\Users\rijan\anaconda3\envs\phono3py\lib\site-packages\pip\_vendor\pep517\in_process\_in_process.py' > build_wheel 'C:\Users\rijan\AppData\Local\Temp\tmpzxf578y6' > > cwd: > C:\Users\rijan\AppData\Local\Temp\pip-install-_97dfnlv\phonopy_1d34603cbf7d4d5aadfa099b7e03f0d7 > > Building wheel for phonopy (pyproject.toml) ... error > > ERROR: Failed building wheel for phonopy > > Failed to build phono3py phonopy > > ERROR: Could not build wheels for phono3py, phonopy, which is required > to install pyproject.toml-based projects > > Exception information: > > Traceback (most recent call last): > > File > "C:\Users\rijan\anaconda3\envs\phono3py\lib\site-packages\pip\_internal\cli\base_command.py", > line 160, in exc_logging_wrapper > > status = run_func(*args) > > File > "C:\Users\rijan\anaconda3\envs\phono3py\lib\site-packages\pip\_internal\cli\req_command.py", > line 247, in wrapper > > return func(self, options, args) > > File > "C:\Users\rijan\anaconda3\envs\phono3py\lib\site-packages\pip\_internal\commands\install.py", > line 464, in run > > raise InstallationError( > > pip._internal.exceptions.InstallationError: Could not build wheels for > phono3py, phonopy, which is required to install pyproject.toml-based > projects > > Remote version of pip: 23.0.1 > > Local version of pip: 22.3.1 > > Was pip installed by pip? False > > Removed build tracker: > 'C:\\Users\\rijan\\AppData\\Local\\Temp\\pip-build-tracker-92by_6qf' > > > > > > Best > > Rijan > > _______________________________________________ > > Phonopy-users mailing list > > Pho...@li... > > https://lists.sourceforge.net/lists/listinfo/phonopy-users > > > > -- > Atsushi Togo > > > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > |