Re: [Phonopy-users] problems with phonopy executable

[Atz T. <atz...@gm...>]

Hi,

Probably http://phonopy.sourceforge.net/command-options.html#create-supercell-and-displacements

Togo

On Sun, Mar 18, 2012 at 4:31 AM, Elie M <eli...@ho...> wrote:
> Thanks very much. Problem solved. A final simple question: I read that
> phonopy can build supercells. I am interested in building supercells for
> monolayer and bilayer graphene. Can phonopy do that and produce an output
> file containing the positions of the atoms of the supercell? If yes,
> anywhere in the phonopy guide that I can read about that in detail? if not,
> are there other (simple) packages or codes that produce supercells and give
> the positions of the atoms?
>
>
> Thank you
>
>
> Elie
>
>> Date: Sun, 18 Mar 2012 00:13:03 +0900
>> Subject: Re: [Phonopy-users] problems with phonopy executable
>> From: atz...@gm...
>> To: eli...@ho...
>> CC: pho...@li...
>
>>
>> Hi,
>>
>> PYTHONPATH may not be correctly set. This should be something like
>>
>> export PYTHONPATH=/home_cluster/fis718/eliemouj/lib/python
>>
>> You need to check that this directory exists. The directory name may
>> be a little different from this.
>> And on your installation,
>>
>> python setup.py install --home=/home_cluster/fis718/eliemouj
>>
>> not : but =.
>>
>> Togo
>>
>>
>> On Sat, Mar 17, 2012 at 9:56 PM, Elie M <eli...@ho...>
>> wrote:
>> > Dear all,
>> >
>> > I installed Phonopy on my LINUX server  where first I have executed:
>> >
>> > python setup.py install --home:/home_cluster/fis718/eliemouj so that it
>> > would be installed in that particular directory. Everything went well
>> > and
>> > all packages and executables were installed in
>> > /home_cluster/fis718/eliemouj/bin :
>> >
>> > " changing mode of /home_cluster/fis718/eliemouj/bin/phonopy to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/phonopy-qha to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/phonopy-FHI-aims to
>> > 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/bandplot to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/propplot to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/tdplot to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/dispmanager to 755
>> > changing mode of /home_cluster/fis718/eliemouj/bin/pdosplot to 755"
>> >
>> > Now when I entered the directory example/Si and  executed phonopy -p , I
>> > have got the following error:
>> >
>> > "Traceback (most recent call last):
>> >
>> >   File "/home_cluster/fis718/eliemouj/bin/phonopy", line 23, in ?
>> >
>> >     from phonopy import *
>> >
>> > ImportError: No module named phonopy"
>> >
>> >
>> > I have repeated the installation several times but in vain. Please can
>> > anyone tell me how to solve this..Thanks
>> >
>> >
>> > Elie M
>> >
>> > University of Notts
>> >
>> > NG7 2RD
>> >
>> > UK
>> >
>> >
>> >
>> > ------------------------------------------------------------------------------
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>> > _______________________________________________
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>> > Pho...@li...
>> > https://lists.sourceforge.net/lists/listinfo/phonopy-users
>> >
>>
>>
>>
>> --
>> Atsushi Togo
>> http://atztogo.users.sourceforge.net/
>> atz...@gm...



-- 
Atsushi Togo
http://atztogo.users.sourceforge.net/
atz...@gm...