[Wien] scf2forces

Rajneesh Chaurasiya rajnano2012 at gmail.com
Sat Feb 13 08:08:49 CET 2016


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.
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