[Wien] scf2forces

Gavin Abo gsabo at crimson.ua.edu
Tue Mar 29 14:32:47 CEST 2016


It looks like it is because the version of phonopy that you are using 
(version 1.10.0) doesn't work with python 3.5.  As Togo described at

https://sourceforge.net/p/phonopy/mailman/message/34974085/

You need to use the newer version 1.10.5 of phonopy with python 3.5, 
which you should able to download at:

https://sourceforge.net/projects/phonopy/

On 3/29/2016 4:14 AM, Rajneesh Chaurasiya wrote:
> Dear Gavin,
>
> I think, I installed the Phonopy successfully and set the Path 
> correctly.  but when i give the command
>
> [ambeshst at 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.


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