At risk of stating the obvious: the fact that the folder is called win2k
and not wien2k also seems mildly suspicious.
On 2/16/2016 2:28 PM, Gavin Abo wrote:
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
:/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
<rajnano2...@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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