[Wien] scf2forces

[Gavin Abo]

If you do "ls 
~/home/IITJHOME/ambeshst/win2k13mpi/phonopy-1.10.0/lib64/python", does 
it show files like api_gruneisen.py?

If the files like that are in the python folder in the lib64 directory, 
then your .bashrc looks fine.  On my system, they are under lib instead 
of lib64:

username at computername:~$ ls ~/phonopy-1.10.0/lib/python/phonopy
api_gruneisen.py   api_qha.pyc  harmonic      _phonopy.so units.pyc
api_gruneisen.pyc  cui          __init__.py   qha version.py
api_phonopy.py     file_IO.py   __init__.pyc  _spglib.so version.pyc
api_phonopy.pyc    file_IO.pyc  interface     structure
api_qha.py         gruneisen    phonon        units.py

In the error message, it looks like it is pointing to the wrong location 
(/home/IITJHOME/ambeshst/win2k13mpi/phonopy), when it should be pointing 
to "/home/IITJHOME/ambeshst/win2k13mpi/phonopy-1.10.0/lib64/python".

Do "echo $PYTHONPATH", is it pointing to the right location?

On my system, it is pointing to "/home/username/phonopy-1.10.0/lib/python":

username at computername:~$ echo $PYTHONPATH
:/home/username/phonopy-1.10.0/lib/python

After adding export lines to .bashrc and saving the changes, did you 
reload the .bashrc (using "source ~/.bashrc" or open and use a new 
terminal)?

On 2/16/2016 2:49 AM, Rajneesh Chaurasiya wrote:
> I have modified the file according to your suggestion but still there 
> is same error...
>
> Traceback (most recent call last):
>   File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ?
>     from phonopy import *
> ImportError: No module named phonopy
>
>
> I am attaching the .bashrc file so please check whether this is 
> correct or not..
> please suggest your suggestion..
>
>
> On Sat, Feb 13, 2016 at 12:38 PM, Rajneesh Chaurasiya 
> <rajnano2012 at gmail.com <mailto:rajnano2012 at gmail.com>> wrote:
>
>
>
>     Dear Gavin,
>
>     I have installed newer version of phonopy package
>     https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download
>     and it required the scf2forces which i get from
>     http://www.wien2k.at/reg_user/unsupported/ but it showing the
>     error, which i have seen in the previous message. but as per your
>     suggestion if i use he experimental support option in Phonopy
>     1.10.0 [
>     http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface ]:
>     means phonopy --wien2k -f case-001.scf case-002.scf then it
>     showing error some error.
>
>
>     Traceback (most recent call last):
>       File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ?
>         from phonopy import *
>     ImportError: No module named phonopy
>
>
>      so i dont know that the installed phonopy is compatible with the
>     wien2k or not.
>
>     please give me your ideas why this is happening.
>
>
>
>
> -- 
> Thanks & Regards
> Rajneesh Chaurasiya
> Junior Research Fellow
> ABV-IIITM, Gwalior, India
> Mob. No. +91-9584499697
>               +91-8435727031
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