Re: [Phonopy-users] problems with phonopy executable
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From: Elie M <eli...@ho...> - 2012-03-17 19:31:54
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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 > > > > > > ------------------------------------------------------------------------------ > > This SF email is sponsosred by: > > Try Windows Azure free for 90 days Click Here > > http://p.sf.net/sfu/sfd2d-msazure > > _______________________________________________ > > Phonopy-users mailing list > > Pho...@li... > > https://lists.sourceforge.net/lists/listinfo/phonopy-users > > > > > > -- > Atsushi Togo > http://atztogo.users.sourceforge.net/ > atz...@gm... |