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@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@computername:~$ echo $PYTHONPATH

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 <rajnano2...@gmail.com <mailto:rajnano2...@gmail.com>> wrote:

    Dear Gavin,

    I have installed newer version of phonopy package
    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
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