Dear Rajneesh!
If you want to execute
phonopy --wien2k -c NaCl.struct -d --dim="2 2 2"
you must have struct file which is called "NaCl.struct".
Please type
ll -rt
in your commandline and post the result in the mailinglist.
Kind regards
Magdalena
Am 29.03.2016 um 12:14 schrieb Rajneesh Chaurasiya:
Dear Gavin,
I think, I installed the Phonopy successfully and set the Path
correctly. but when i give the command
[ambeshst@IITJ_HPC tests]$ phonopy --wien2k -c NaCl.struct -d --dim="2
2 2"
It showing the syntax error
raceback (most recent call last):
File "/home/IITJHOME/ambeshst/win2k13mpi/python35/bin/phonopy", line
496, in <module>
from phonopy.interface.wien2k import
write_supercells_with_displacements
File
"/home/IITJHOME/ambeshst/win2k13mpi/python35/lib/python3.5/site-packages/phonopy/interface/wien2k.py",
line 65
print "%s contains only forces of %d atoms" % (
^
SyntaxError: invalid syntax
Please give me your ideas why it is showing this error.
On Tue, Mar 29, 2016 at 11:39 AM, Rajneesh Chaurasiya
<[email protected] <mailto:[email protected]>> wrote:
Dear Gavin,
I have again installed the Python 3.5 and Phonopy in my HPC as per
your suggestion but it couldn't work properly.
I follow the steps as per your previous guidelines.
I got the following error
-bash: phonopy: command not found
When i give the command
[ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c NaCl.struct
-d --dim="2 2 2"
Please aware me for my mistakes
On Sat, Feb 20, 2016 at 12:14 PM, Rajneesh Chaurasiya
<[email protected] <mailto:[email protected]>> wrote:
Dear gavin,
I have modified the .bashrc file, which i am attaching through
this mail and also the some one image file which contains the
file inside the python folder.
please find the attached files and give your suggestions..
On Tue, Feb 16, 2016 at 3:19 PM, Rajneesh Chaurasiya
<[email protected] <mailto:[email protected]>> 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
<[email protected] <mailto:[email protected]>> 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
IIT,Jodhpur, India
Mob. No. +91-9584499697
+91-7610950803
--
Thanks & Regards
Rajneesh Chaurasiya
Junior Research Fellow
IIT,Jodhpur, India
Mob. No. +91-9584499697
+91-7610950803
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