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

[sajid k. <fd...@gm...>]

Hmmm yes sir you are right. Thanks a lot sir

On Fri, Mar 3, 2023, 12:58 Antonio Cammarata <cam...@fe...> wrote:

> 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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>>
>
>
> _______________________________________________
> Phonopy-users mailing lis...@li...://lists.sourceforge.net/lists/listinfo/phonopy-users
>
> --
> _______________________________________________
> 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
>
>
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