Re: [Phonopy-users] Need some Help Regarding DFT

[Antonio C. <cam...@fe...>]

Hi,

check the published papers where the authors of such functionals present 
and discuss them; also, you should compare computational papers using 
those functional in order to understand which are their features and 
when they can be used. Finally, you should read books or reviews where 
they discuss class of functionals and their use. I think that it is not 
possible to summarize in few words the difference among any kind of 
functional.

Best

Antonio

On 03. 03. 23 4:10, sajid khan wrote:
> 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
>
>
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>
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-- 
_______________________________________________
Antonio Cammarata, PhD in Physics
Assistant Professor in Applied Physics
Advanced Materials Group
Department of Control Engineering - KN:G-204
Faculty of Electrical Engineering
Czech Technical University in Prague
Karlovo Náměstí, 13
121 35, Prague 2, Czech Republic
Phone: +420 224 35 5711
Fax:   +420 224 91 8646
ORCID: orcid.org/0000-0002-5691-0682
WoS ResearcherID: A-4883-2014